Crystallography Open Database
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Searching journal of publication like 'Journal of Medicinal Chemistry'
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5000285 | CIF | C10 H15 Br2 Cl3 | P 21 21 21 | 6.115; 12.456; 19.188 90; 90; 90 | 1461.52 | Fuller, Richard W.; Cardellina, John H.; Kato, Yoko; Brinen, Linda S.; Clardy, Jon; Snader, Kenneth M.; Boyd, Michael R. A pentahalogenated monoterpene from the red alga Portieria hornemannii produces a novel cytotoxicity profile against a diverse panel of human tumor cell lines Journal of Medicinal Chemistry, 1992, 35, 3007-3011 |
5000128 | CIF | C17 H19 Cl F3 N O | P c a b | 10.457; 10.387; 32.345 90; 90; 90 | 3513.21 | Robertson, David W.; Jones, Noel D.; Swartzendruber, John K.; Yang, Kuo S.; Wong, David T. Molecular structure of fluoxetine hydrochloride, a highly selective serotonin-uptake inhibitor Journal of Medicinal Chemistry, 1988, 31, 185-189 |
1566736 | CIF | C15 H14 O3 | P 21 21 21 | 5.5437; 8.4551; 52.42 90; 90; 90 | 2457.06 | Müller, Christoph; Gleixner, Jakob; Tahk, Maris-Johanna; Kopanchuk, Sergei; Laasfeld, Tõnis; Weinhart, Michael; Schollmeyer, Dieter; Betschart, Martin U.; Lüdeke, Steffen; Koch, Pierre; Rinken, Ago; Keller, Max Structure-Based Design of High-Affinity Fluorescent Probes for the Neuropeptide Y Y<sub>1</sub> Receptor. Journal of medicinal chemistry, 2022, 65, 4832-4853 |
1566550 | CIF | C12 H16 N2 O2 | P -1 | 7.7366; 7.9072; 10.7395 99.872; 102.594; 113.64 | 562.21 | Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B. Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile. Journal of medicinal chemistry, 2022, 65, 2238-2261 |
1566549 | CIF | C26 H23 Br N6 O | P -1 | 12.22; 12.7328; 16.424 76.485; 82.598; 67.698 | 2296.6 | Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B. Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile. Journal of medicinal chemistry, 2022, 65, 2238-2261 |
1566548 | CIF | C33 H39 Cl Cu N8 O3 | C 1 2/c 1 | 37.667; 10.5159; 19.22 90; 118.948; 90 | 6661.9 | Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B. Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile. Journal of medicinal chemistry, 2022, 65, 2238-2261 |
1566547 | CIF | C60 H63 Br2 Cl N14 Ni O4 | P -1 | 9.7632; 15.6735; 19.622 87.172; 75.925; 85.319 | 2901.4 | Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B. Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile. Journal of medicinal chemistry, 2022, 65, 2238-2261 |
1566546 | CIF | C32 H39 Cl3 Cu N8 O3 | P 1 | 7.2313; 9.2604; 14.1201 78.16; 77.214; 70.423 | 859.9 | Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B. Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile. Journal of medicinal chemistry, 2022, 65, 2238-2261 |
1566545 | CIF | C28 H28 Cl Cu N6 O1.5 | P 1 21/c 1 | 15.0147; 34.2629; 10.2999 90; 107.565; 90 | 5051.7 | Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B. Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile. Journal of medicinal chemistry, 2022, 65, 2238-2261 |
1566544 | CIF | C28 H28 Br Cl Cu N6 O2 | P 1 21/c 1 | 16.1127; 8.9758; 19.2463 90; 103.825; 90 | 2702.85 | Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B. Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile. Journal of medicinal chemistry, 2022, 65, 2238-2261 |
1566281 | CIF | C43 H62 F6 N4 O5.5 P | P -1 | 13.1015; 13.9905; 14.3129 103.697; 99.4485; 117.548 | 2142.83 | Guillou, Amaury; Nisli, Eda; Klingler, Simon; Linden, Anthony; Holland, Jason P. Photoactivatable Fluorescent Tags for Dual-Modality Positron Emission Tomography Optical Imaging. Journal of medicinal chemistry, 2022, 65, 811-823 |
1565895 | CIF | C15 H20 O4 | P 21 21 21 | 8.2975; 12.0102; 13.9497 90; 90; 90 | 1390.15 | Liu, Xingchen; Wang, Cheng; Li, Shang; Qu, Lailiang; Yin, Fucheng; Lu, Dehua; Luo, Heng; Chen, Xinye; Luo, Zhongwen; Cui, Ningjie; Wang, Xiaobing; Kong, Lingyi Parthenolide Derivatives as PKM2 Activators Showing Potential in Colorectal Cancer. Journal of medicinal chemistry, 2021, 64, 17304-17325 |
1565894 | CIF | C20 H19 N O3 | P 1 21/c 1 | 17.0295; 10.2484; 9.8976 90; 103.468; 90 | 1679.88 | Singh, Neelu; Gupta, Ajay; Prasad, Puja; Sah, Raj Kumar; Singh, Arvind; Kumar, Sunil; Singh, Shailja; Gupta, Shalini; Sasmal, Pijus K. Mitochondria-Targeted Photoactivatable Real-Time Monitoring of a Controlled Drug Delivery Platform. Journal of medicinal chemistry, 2021, 64, 17813-17823 |
1564803 | CIF | C23 H31 Cl O4 | P 1 21 1 | 7.1951; 40.1443; 15.3671 90; 96.963; 90 | 4405.9 | Luo, Xiaowei; Cai, Guodi; Guo, Yinfeng; Gao, Chenghai; Huang, Weifeng; Zhang, Zhenhua; Lu, Humu; Liu, Kai; Chen, Jianghe; Xiong, Xiaofeng; Lei, Jinping; Zhou, Xuefeng; Wang, Junjian; Liu, Yonghong Exploring Marine-Derived Ascochlorins as Novel Human Dihydroorotate Dehydrogenase Inhibitors for Treatment of Triple-Negative Breast Cancer. Journal of medicinal chemistry, 2021, 64, 13918-13932 |
1564802 | CIF | C23 H29 Cl O5 | P 1 | 6.1316; 11.209; 16.0507 90.884; 100.853; 93.813 | 1080.58 | Luo, Xiaowei; Cai, Guodi; Guo, Yinfeng; Gao, Chenghai; Huang, Weifeng; Zhang, Zhenhua; Lu, Humu; Liu, Kai; Chen, Jianghe; Xiong, Xiaofeng; Lei, Jinping; Zhou, Xuefeng; Wang, Junjian; Liu, Yonghong Exploring Marine-Derived Ascochlorins as Novel Human Dihydroorotate Dehydrogenase Inhibitors for Treatment of Triple-Negative Breast Cancer. Journal of medicinal chemistry, 2021, 64, 13918-13932 |
1564801 | CIF | C23 H29 Cl O5 | P 1 21 1 | 24.8351; 7.171; 25.5947 90; 93.822; 90 | 4548.1 | Luo, Xiaowei; Cai, Guodi; Guo, Yinfeng; Gao, Chenghai; Huang, Weifeng; Zhang, Zhenhua; Lu, Humu; Liu, Kai; Chen, Jianghe; Xiong, Xiaofeng; Lei, Jinping; Zhou, Xuefeng; Wang, Junjian; Liu, Yonghong Exploring Marine-Derived Ascochlorins as Novel Human Dihydroorotate Dehydrogenase Inhibitors for Treatment of Triple-Negative Breast Cancer. Journal of medicinal chemistry, 2021, 64, 13918-13932 |
1564800 | CIF | C23 H31 Cl O5 | P 1 | 15.1437; 17.4925; 19.3925 105.337; 92.858; 113.621 | 4467.9 | Luo, Xiaowei; Cai, Guodi; Guo, Yinfeng; Gao, Chenghai; Huang, Weifeng; Zhang, Zhenhua; Lu, Humu; Liu, Kai; Chen, Jianghe; Xiong, Xiaofeng; Lei, Jinping; Zhou, Xuefeng; Wang, Junjian; Liu, Yonghong Exploring Marine-Derived Ascochlorins as Novel Human Dihydroorotate Dehydrogenase Inhibitors for Treatment of Triple-Negative Breast Cancer. Journal of medicinal chemistry, 2021, 64, 13918-13932 |
1564799 | CIF | C23 H33 Cl O5 | P 32 2 1 | 11.4588; 11.4588; 28.4455 90; 90; 120 | 3234.61 | Luo, Xiaowei; Cai, Guodi; Guo, Yinfeng; Gao, Chenghai; Huang, Weifeng; Zhang, Zhenhua; Lu, Humu; Liu, Kai; Chen, Jianghe; Xiong, Xiaofeng; Lei, Jinping; Zhou, Xuefeng; Wang, Junjian; Liu, Yonghong Exploring Marine-Derived Ascochlorins as Novel Human Dihydroorotate Dehydrogenase Inhibitors for Treatment of Triple-Negative Breast Cancer. Journal of medicinal chemistry, 2021, 64, 13918-13932 |
1564798 | CIF | C23 H31 Cl O4 | P 1 21 1 | 6.7959; 36.5395; 8.7513 90; 98.87; 90 | 2147.12 | Luo, Xiaowei; Cai, Guodi; Guo, Yinfeng; Gao, Chenghai; Huang, Weifeng; Zhang, Zhenhua; Lu, Humu; Liu, Kai; Chen, Jianghe; Xiong, Xiaofeng; Lei, Jinping; Zhou, Xuefeng; Wang, Junjian; Liu, Yonghong Exploring Marine-Derived Ascochlorins as Novel Human Dihydroorotate Dehydrogenase Inhibitors for Treatment of Triple-Negative Breast Cancer. Journal of medicinal chemistry, 2021, 64, 13918-13932 |
1564797 | CIF | C23 H32 O4 | P 1 21 1 | 7.6632; 12.1003; 21.8916 90; 94.348; 90 | 2024.1 | Luo, Xiaowei; Cai, Guodi; Guo, Yinfeng; Gao, Chenghai; Huang, Weifeng; Zhang, Zhenhua; Lu, Humu; Liu, Kai; Chen, Jianghe; Xiong, Xiaofeng; Lei, Jinping; Zhou, Xuefeng; Wang, Junjian; Liu, Yonghong Exploring Marine-Derived Ascochlorins as Novel Human Dihydroorotate Dehydrogenase Inhibitors for Treatment of Triple-Negative Breast Cancer. Journal of medicinal chemistry, 2021, 64, 13918-13932 |
1564530 | CIF | C40 H59 N O5 | P 43 21 2 | 23.7717; 23.7717; 14.8492 90; 90; 90 | 8391.2 | Yun, Ying; Zhang, Chenlu; Guo, Shimeng; Liang, Xiaoying; Lan, Yuan; Wang, Min; Zhuo, Ning; Yin, Jianpeng; Liu, Huanan; Gu, Min; Li, Jing; Xie, Xin; Nan, Fajun Identification of Betulinic Acid Derivatives as Potent TGR5 Agonists with Antidiabetic Effects via Humanized TGR5<sup>H88Y</sup> Mutant Mice. Journal of medicinal chemistry, 2021, 64, 12181-12199 |
1562966 | CIF | C21 H21 Cl2 N3 O4 | P 1 21 1 | 12.9023; 12.742; 18.9596 90; 103.842; 90 | 3026.5 | Tan, Jing; Wu, Bing; Chen, Tingting; Fan, Chen; Zhao, Jiannan; Xiong, Chaodong; Feng, Chunlan; Xiao, Ruoxuan; Ding, Chunyong; Tang, Wei; Zhang, Ao Synthesis and Pharmacological Evaluation of Tetrahydro-γ-carboline Derivatives as Potent Anti-inflammatory Agents Targeting Cyclic GMP‒AMP Synthase Journal of Medicinal Chemistry, 2021 |
1562965 | CIF | C20.33333 H16.33333 Cl3 F3 N3 O2 | P 1 21/c 1 | 21.8663; 13.134; 23.2675 90; 94.217; 90 | 6664.1 | Tan, Jing; Wu, Bing; Chen, Tingting; Fan, Chen; Zhao, Jiannan; Xiong, Chaodong; Feng, Chunlan; Xiao, Ruoxuan; Ding, Chunyong; Tang, Wei; Zhang, Ao Synthesis and Pharmacological Evaluation of Tetrahydro-γ-carboline Derivatives as Potent Anti-inflammatory Agents Targeting Cyclic GMP–AMP Synthase Journal of Medicinal Chemistry, 2021 |
1562964 | CIF | C20 H17 Cl2 N3 O3 | P 1 21/n 1 | 10.138; 14.487; 25.836 90; 96.065; 90 | 3773 | Tan, Jing; Wu, Bing; Chen, Tingting; Fan, Chen; Zhao, Jiannan; Xiong, Chaodong; Feng, Chunlan; Xiao, Ruoxuan; Ding, Chunyong; Tang, Wei; Zhang, Ao Synthesis and Pharmacological Evaluation of Tetrahydro-γ-carboline Derivatives as Potent Anti-inflammatory Agents Targeting Cyclic GMP‒AMP Synthase Journal of Medicinal Chemistry, 2021 |
1562963 | CIF | C24 H22 Cl5 N3 O3 | P -1 | 9.9578; 11.0634; 12.0224 82.132; 78.467; 81.112 | 1274.4 | Tan, Jing; Wu, Bing; Chen, Tingting; Fan, Chen; Zhao, Jiannan; Xiong, Chaodong; Feng, Chunlan; Xiao, Ruoxuan; Ding, Chunyong; Tang, Wei; Zhang, Ao Synthesis and Pharmacological Evaluation of Tetrahydro-γ-carboline Derivatives as Potent Anti-inflammatory Agents Targeting Cyclic GMP‒AMP Synthase Journal of Medicinal Chemistry, 2021 |
1562962 | CIF | C21 H17 Cl2 N3 O2 | C 1 2/c 1 | 19.6265; 12.6274; 17.4555 90; 120.196; 90 | 3739 | Tan, Jing; Wu, Bing; Chen, Tingting; Fan, Chen; Zhao, Jiannan; Xiong, Chaodong; Feng, Chunlan; Xiao, Ruoxuan; Ding, Chunyong; Tang, Wei; Zhang, Ao Synthesis and Pharmacological Evaluation of Tetrahydro-γ-carboline Derivatives as Potent Anti-inflammatory Agents Targeting Cyclic GMP‒AMP Synthase Journal of Medicinal Chemistry, 2021 |
1562742 | CIF | C68 H100 F4 N6 O21 S4 | C 1 2 1 | 32.412; 6.476; 23.549 90; 132.313; 90 | 3655 | Zhang, Dongfeng; Li, Peng; Gao, Yongxin; Song, Yaoyao; Zhu, Yaqin; Su, Hong; Yang, Beibei; Li, Li; Li, Gang; Gong, Ningbo; Lu, Yang; Shao, Huanjie; Yu, Chunrong; Huang, Haihong Discovery of a Candidate Containing an (S)-3,3-Difluoro-1-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden Scaffold as a Highly Potent Pan-Inhibitor of the BCR-ABL Kinase Including the T315I-Resistant Mutant for the Treatment of Chronic Myeloid Leukemia Journal of Medicinal Chemistry, 2021 |
1561878 | CIF | C26 H22 Br3 Cu3 N8 S4 | C 1 2/c 1 | 10.7395; 16.0006; 18.9882 90; 96.286; 90 | 3243.3 | Gou, Yi; Chen, MeiRong; Li, Shanhe; Deng, JunGang; Li, Jinlong; Fang, GuiHua; Yang, Feng; Huang, GuoJin Dithiocarbazate-Copper Complexes for Bioimaging and Treatment of Pancreatic Cancer. Journal of medicinal chemistry, 2021 |
1561877 | CIF | C26 H22 Cu2 N10 O6 S4 | P -1 | 7.9731; 9.8264; 10.9176 76.501; 85.908; 73.399 | 797.05 | Gou, Yi; Chen, MeiRong; Li, Shanhe; Deng, JunGang; Li, Jinlong; Fang, GuiHua; Yang, Feng; Huang, GuoJin Dithiocarbazate-Copper Complexes for Bioimaging and Treatment of Pancreatic Cancer. Journal of medicinal chemistry, 2021 |
1561876 | CIF | C13 H11 Cl Cu N4 S2 | P -1 | 8.6462; 9.7989; 10.1011 68.887; 71.065; 82.137 | 755 | Gou, Yi; Chen, MeiRong; Li, Shanhe; Deng, JunGang; Li, Jinlong; Fang, GuiHua; Yang, Feng; Huang, GuoJin Dithiocarbazate-Copper Complexes for Bioimaging and Treatment of Pancreatic Cancer. Journal of medicinal chemistry, 2021 |
1561377 | CIF | C23 H28 F N5 O2 | P -1 | 9.8391; 11.1859; 11.8823 72.632; 89.776; 64.843 | 1118.23 | Huestis, Malcolm P.; Dela Cruz, Darlene; DiPasquale, Antonio G.; Durk, Matthew R.; Eigenbrot, Charles; Gibbons, Paul; Gobbi, Alberto; Hunsaker, Thomas L.; La, Hank; Leung, Dennis H.; Liu, Wendy; Malek, Shiva; Merchant, Mark; Moffat, John G.; Muli, Christine S.; Orr, Christine J.; Parr, Brendan T.; Shanahan, Frances; Sneeringer, Christopher J.; Wang, Weiru; Yen, Ivana; Yin, Jianping; Siu, Michael; Rudolph, Joachim Targeting KRAS Mutant Cancers via Combination Treatment: Discovery of a 5-Fluoro-4-(3<i>H</i>)-quinazolinone Aryl Urea pan-RAF Kinase Inhibitor. Journal of medicinal chemistry, 2021 |
1561376 | CIF | C23 H27 F2 N5 O2 | C 1 2 1 | 36.459; 8.6753; 13.8617 90; 98.333; 90 | 4338.1 | Huestis, Malcolm P.; Dela Cruz, Darlene; DiPasquale, Antonio G.; Durk, Matthew R.; Eigenbrot, Charles; Gibbons, Paul; Gobbi, Alberto; Hunsaker, Thomas L.; La, Hank; Leung, Dennis H.; Liu, Wendy; Malek, Shiva; Merchant, Mark; Moffat, John G.; Muli, Christine S.; Orr, Christine J.; Parr, Brendan T.; Shanahan, Frances; Sneeringer, Christopher J.; Wang, Weiru; Yen, Ivana; Yin, Jianping; Siu, Michael; Rudolph, Joachim Targeting KRAS Mutant Cancers via Combination Treatment: Discovery of a 5-Fluoro-4-(3<i>H</i>)-quinazolinone Aryl Urea pan-RAF Kinase Inhibitor. Journal of medicinal chemistry, 2021 |
1560801 | CIF | C32 H30 N8 O S2 Zn | P 1 21/c 1 | 10.3073; 29.5898; 9.8383 90; 90.5116; 90 | 3000.5 | Gilleran, John A.; Yu, Xin; Blayney, Alan J.; Bencivenga, Anthony F.; Na, Bing; Augeri, David J.; Blanden, Adam R.; Kimball, S. David; Loh, Stewart N.; Roberge, Jacques Y.; Carpizo, Darren R. Benzothiazolyl and Benzoxazolyl Hydrazones Function as Zinc Metallochaperones to Reactivate Mutant p53. Journal of medicinal chemistry, 2021, 64, 2024-2045 |
1560800 | CIF | C23 H28.5 Cl1.5 N8 O0.25 S2 Zn | C 1 2/c 1 | 14.257; 11.4474; 17.156 90; 108.496; 90 | 2655.3 | Gilleran, John A.; Yu, Xin; Blayney, Alan J.; Bencivenga, Anthony F.; Na, Bing; Augeri, David J.; Blanden, Adam R.; Kimball, S. David; Loh, Stewart N.; Roberge, Jacques Y.; Carpizo, Darren R. Benzothiazolyl and Benzoxazolyl Hydrazones Function as Zinc Metallochaperones to Reactivate Mutant p53. Journal of medicinal chemistry, 2021, 64, 2024-2045 |
1559416 | CIF | C13 H18 O2 | P 1 21/c 1 | 14.465; 7.815; 10.435 90; 99.66; 90 | 1162.9 | Kleemiss, Florian; Justies, Aileen; Duvinage, Daniel; Watermann, Patrick; Ehrke, Eric; Sugimoto, Kunihisa; Fugel, Malte; Malaspina, Lorraine A.; Dittmer, Anneke; Kleemiss, Torsten; Puylaert, Pim; King, Nelly R.; Staubitz, Anne; Tzschentke, Thomas M.; Dringen, Ralf; Grabowsky, Simon; Beckmann, Jens Sila-Ibuprofen. Journal of medicinal chemistry, 2020 |
1559415 | CIF | C12 H18 O2 Si | P 1 21/c 1 | 14.814; 7.972; 10.798 90; 100.7; 90 | 1253 | Kleemiss, Florian; Justies, Aileen; Duvinage, Daniel; Watermann, Patrick; Ehrke, Eric; Sugimoto, Kunihisa; Fugel, Malte; Malaspina, Lorraine A.; Dittmer, Anneke; Kleemiss, Torsten; Puylaert, Pim; King, Nelly R.; Staubitz, Anne; Tzschentke, Thomas M.; Dringen, Ralf; Grabowsky, Simon; Beckmann, Jens Sila-Ibuprofen. Journal of medicinal chemistry, 2020 |
1559414 | CIF | C37 H29 N5 O5 | P 21 21 21 | 9.05425; 14.2458; 22.2227 90; 90; 90 | 2866.4 | Wang, Jinhui; Jin, Weiyang; Zhou, Xiaoxin; Li, Jiaqi; Xu, Chengdong; Ma, Zhongjun; Wang, Jianan; Qin, Lele; Zhou, Biao; Ding, Wanjing; Gao, Tingting; Yao, Hangping; Chen, Zhe Identification, Structure‒Activity Relationships of Marine-Derived Indolocarbazoles, and a Dual PKCθ/δ Inhibitor with Potent Antipancreatic Cancer Efficacy Journal of Medicinal Chemistry, 2020 |
1559413 | CIF | C29 H28 N4 O6 | P 1 21 1 | 15.4258; 8.2007; 20.1539 90; 98.481; 90 | 2521.64 | Wang, Jinhui; Jin, Weiyang; Zhou, Xiaoxin; Li, Jiaqi; Xu, Chengdong; Ma, Zhongjun; Wang, Jianan; Qin, Lele; Zhou, Biao; Ding, Wanjing; Gao, Tingting; Yao, Hangping; Chen, Zhe Identification, Structure‒Activity Relationships of Marine-Derived Indolocarbazoles, and a Dual PKCθ/δ Inhibitor with Potent Antipancreatic Cancer Efficacy Journal of Medicinal Chemistry, 2020 |
1559412 | CIF | C31 H28 N4 O5 | R 3 :H | 24.2245; 24.2245; 12.4413 90; 90; 120 | 6322.8 | Wang, Jinhui; Jin, Weiyang; Zhou, Xiaoxin; Li, Jiaqi; Xu, Chengdong; Ma, Zhongjun; Wang, Jianan; Qin, Lele; Zhou, Biao; Ding, Wanjing; Gao, Tingting; Yao, Hangping; Chen, Zhe Identification, Structure‒Activity Relationships of Marine-Derived Indolocarbazoles, and a Dual PKCθ/δ Inhibitor with Potent Antipancreatic Cancer Efficacy Journal of Medicinal Chemistry, 2020 |
1559411 | CIF | C32 H26 N4 O5.5 | P -1 | 10.6126; 11.4102; 13.3071 95.819; 112.387; 111.273 | 1333.67 | Wang, Jinhui; Jin, Weiyang; Zhou, Xiaoxin; Li, Jiaqi; Xu, Chengdong; Ma, Zhongjun; Wang, Jianan; Qin, Lele; Zhou, Biao; Ding, Wanjing; Gao, Tingting; Yao, Hangping; Chen, Zhe Identification, Structure‒Activity Relationships of Marine-Derived Indolocarbazoles, and a Dual PKCθ/δ Inhibitor with Potent Antipancreatic Cancer Efficacy Journal of Medicinal Chemistry, 2020 |
1559410 | CIF | C28 H27 N3 O7 | P 21 21 21 | 7.22366; 16.5577; 20.6478 90; 90; 90 | 2469.63 | Wang, Jinhui; Jin, Weiyang; Zhou, Xiaoxin; Li, Jiaqi; Xu, Chengdong; Ma, Zhongjun; Wang, Jianan; Qin, Lele; Zhou, Biao; Ding, Wanjing; Gao, Tingting; Yao, Hangping; Chen, Zhe Identification, Structure‒Activity Relationships of Marine-Derived Indolocarbazoles, and a Dual PKCθ/δ Inhibitor with Potent Antipancreatic Cancer Efficacy Journal of Medicinal Chemistry, 2020 |
1559109 | CIF | C30 H38 O9 | P 21 21 21 | 7.402; 13.4298; 26.9766 90; 90; 90 | 2681.67 | Wang, Cheng; Li, Shang; Zhao, Jinhua; Yang, Huali; Yin, Fucheng; Ding, Ming; Luo, Jianguang; Wang, Xiao-Bing; Kong, Ling-Yi Design and SAR of withangulatin A analogs that act as covalent TrxR inhibitors through Michael addition reaction showing potential in cancer treatment. Journal of medicinal chemistry, 2020 |
1558935 | CIF | C18 H19 N3 O3 | P 1 21/n 1 | 13.4672; 5.79643; 20.7574 90; 97.299; 90 | 1607.23 | Seal, Jonathan T.; Atkinson, Stephen J.; Aylott, Helen; Bamborough, Paul; Chung, Chun-Wa; Copley, Royston C. B.; Gordon, Laurie; Grandi, Paola; Gray, James R. J.; Harrison, Lee A.; Hayhow, Thomas G.; Lindon, Matthew; Messenger, Cassie; Michon, Anne-Marie; Mitchell, Darren; Preston, Alex; Prinjha, Rab K.; Rioja, Inmaculada; Taylor, Simon; Wall, Ian D.; Watson, Robert J.; Woolven, James M.; Demont, Emmanuel H. The Optimization of a Novel, Weak Bromo and Extra Terminal Domain (BET) Bromodomain Fragment Ligand to a Potent and Selective Second Bromodomain (BD2) Inhibitor. Journal of medicinal chemistry, 2020 |
1558788 | CIF | C17.75 H23 F N3 O4.75 S | P 1 21 1 | 12.14978; 26.7382; 23.8054 90; 94.0929; 90 | 7713.78 | Zhao, Hongyi; Wang, Bin; Fu, Lei; Li, Gang; Lu, Haijia; Liu, Yuke; Sheng, Li; Li, Yan; Zhang, Baoxi; Lu, Yang; Ma, Chen; Huang, Haihong; Zhang, Dongfeng; Lu, Yu The Discovery of a Conformationally Constrained Oxazolidinone with Improved Safety and Efficacy Profiles for the Treatment of Multidrug-Resistant Tuberculosis. Journal of medicinal chemistry, 2020 |
1558720 | CIF | C22 H26 N2 O3 | P c c n | 21.4182; 22.3478; 9.3093 90; 90; 90 | 4455.89 | Hassan, Muhammad Murtaza; Israelian, Johan; Nawar, Nabanita; Ganda, Giovanni; Manaswiyoungkul, Pimyupa; Raouf, Yasir; Armstrong, David; Sedighi, Abootaleb; Olaoye, Olasunkanmi O.; Erdogan, Fettah; Cabral, Aaron D.; Angeles, Fabrizio; Altintas, Rabia; de Araujo, Elvin D.; Gunning, Patrick Thomas Characterization of Conformationally Constrained Benzanilide Scaffolds for Potent and Selective HDAC8 Targeting. Journal of medicinal chemistry, 2020 |
1558719 | CIF | C19 H16 F6 N2 O3 | P 1 21/n 1 | 9.449; 19.372; 21.3178 90; 97.644; 90 | 3867.5 | Hassan, Muhammad Murtaza; Israelian, Johan; Nawar, Nabanita; Ganda, Giovanni; Manaswiyoungkul, Pimyupa; Raouf, Yasir; Armstrong, David; Sedighi, Abootaleb; Olaoye, Olasunkanmi O.; Erdogan, Fettah; Cabral, Aaron D.; Angeles, Fabrizio; Altintas, Rabia; de Araujo, Elvin D.; Gunning, Patrick Thomas Characterization of Conformationally Constrained Benzanilide Scaffolds for Potent and Selective HDAC8 Targeting. Journal of medicinal chemistry, 2020 |
1558317 | CIF | C20 H20 F8 N4 O5 S | P 1 21 1 | 6.12766; 20.247; 10.0261 90; 94.623; 90 | 1239.86 | Zhang, Chen; Ye, Fei; Wang, Jianmin; He, Ping; Lei, Ming; Huang, Longbin; Huang, Anbang; Tang, Pingming; Lin, Hongjun; Liao, Yuting; Liang, Yong; Ni, Jia; Yan, Pangke Design, Synthesis, and Evaluation of a Series of Novel Super Long-Acting DPP-4 Inhibitors for the Treatment of Type 2 Diabetes. Journal of medicinal chemistry, 2020 |
1558132 | CIF | C20 H24 Cl N O4 | P 1 21/n 1 | 22.7581; 7.6989; 23.0256 90; 113.649; 90 | 3695.56 | Xu, Beibei; Jiang, Xunjin; Xiong, Jing; Lan, Jun; Tian, Yuan; Zhong, Linhai; Wang, Xinquan; Xu, Ning; Cao, Hanwei; Zhang, Wenqing; Zhang, Hao; Hong, Xiaoting; Zhan, Yan-Yan; Zhang, Yandong; Hu, Tianhui Structure-Activity Relationship Study Enables the Discovery of a Novel Berberine Analogue as RXRα Activator to Inhibit Colon Cancer. Journal of medicinal chemistry, 2020 |
1557720 | CIF | C26 H26 F6 Ir N2 P | P 1 21/c 1 | 15.2558; 10.7013; 15.9682 90; 110.221; 90 | 2446.2 | Carrasco, Ana C.; Rodríguez-Fanjul, Vanessa; Habtemariam, Abraha; Pizarro, Ana M. Structurally Strained Half-Sandwich Iridium(III) Complexes As Highly Potent Anticancer Agents. Journal of medicinal chemistry, 2020 |
1557719 | CIF | C27 H25 Cl3 F8 Ir N2 P | P -1 | 8.8857; 11.9211; 14.3535 84.168; 86.455; 75.92 | 1466.03 | Carrasco, Ana C.; Rodríguez-Fanjul, Vanessa; Habtemariam, Abraha; Pizarro, Ana M. Structurally Strained Half-Sandwich Iridium(III) Complexes As Highly Potent Anticancer Agents. Journal of medicinal chemistry, 2020 |
1557718 | CIF | C28 H26 F6 Ir N2 P | P 1 21/c 1 | 15.8944; 10.8142; 15.7843 90; 111.606; 90 | 2522.46 | Carrasco, Ana C.; Rodríguez-Fanjul, Vanessa; Habtemariam, Abraha; Pizarro, Ana M. Structurally Strained Half-Sandwich Iridium(III) Complexes As Highly Potent Anticancer Agents. Journal of medicinal chemistry, 2020 |
1557717 | CIF | C27.75 H28.75 Cl2.25 F6 Ir N2 P | P -1 | 8.8214; 12.811; 13.5282 81.1829; 82.9683; 87.8789 | 1499.15 | Carrasco, Ana C.; Rodríguez-Fanjul, Vanessa; Habtemariam, Abraha; Pizarro, Ana M. Structurally Strained Half-Sandwich Iridium(III) Complexes As Highly Potent Anticancer Agents. Journal of medicinal chemistry, 2020 |
1557716 | CIF | C30 H27 Cl F6 Ir N2 P | C 1 2/c 1 | 29.0834; 11.8532; 17.8688 90; 115.95; 90 | 5538.9 | Carrasco, Ana C.; Rodríguez-Fanjul, Vanessa; Habtemariam, Abraha; Pizarro, Ana M. Structurally Strained Half-Sandwich Iridium(III) Complexes As Highly Potent Anticancer Agents. Journal of medicinal chemistry, 2020 |
1557314 | CIF | C33 H40 O4 | P 21 21 21 | 9.4737; 15.6173; 18.4421 90; 90; 90 | 2728.58 | Ye, Yan-Song; Li, Wen-Yan; Du, Shu-Zong; Yang, Jian; Nian, Yin; Xu, Gang Congenetic hybrids derived from dearomatized isoprenylated acylphloroglucinol with opposite effects on Ca<sub>v</sub>3.1 low voltage-gated Ca<sup>2+</sup> channel. Journal of medicinal chemistry, 2020 |
1557313 | CIF | C30 H44 O5 | P 21 21 21 | 10.5518; 16.1297; 17.0893 90; 90; 90 | 2908.55 | Ye, Yan-Song; Li, Wen-Yan; Du, Shu-Zong; Yang, Jian; Nian, Yin; Xu, Gang Congenetic hybrids derived from dearomatized isoprenylated acylphloroglucinol with opposite effects on Ca<sub>v</sub>3.1 low voltage-gated Ca<sup>2+</sup> channel. Journal of medicinal chemistry, 2020 |
1557186 | CIF | C15 H14 N4 O2 | P 21 21 21 | 5.8178; 16.9835; 28.2863 90; 90; 90 | 2794.9 | Yang, Yaxi; Zhang, Rukang; Li, Zhaojun; Mei, Lianghe; Wan, Shili; Ding, Hong; Chen, Zhifeng; Xing, Jing; Feng, Huijin; Han, Jie; Jiang, Hualiang; Zheng, Mingyue; Luo, Cheng; Zhou, Bing Discovery of Highly Potent, Selective, and Orally Efficacious p300/CBP Histone Acetyltransferases Inhibitors. Journal of medicinal chemistry, 2020 |
1557185 | CIF | C25 H23 F4 N5 O5 | P 1 | 10.1492; 10.1392; 25.2626 96.515; 96.515; 107.35 | 2435.42 | Yang, Yaxi; Zhang, Rukang; Li, Zhaojun; Mei, Lianghe; Wan, Shili; Ding, Hong; Chen, Zhifeng; Xing, Jing; Feng, Huijin; Han, Jie; Jiang, Hualiang; Zheng, Mingyue; Luo, Cheng; Zhou, Bing Discovery of Highly Potent, Selective, and Orally Efficacious p300/CBP Histone Acetyltransferases Inhibitors. Journal of medicinal chemistry, 2020 |
1557184 | CIF | C13 H15 N3 O5 | P 21 21 21 | 8.4194; 8.5433; 19.1641 90; 90; 90 | 1378.46 | Yang, Yaxi; Zhang, Rukang; Li, Zhaojun; Mei, Lianghe; Wan, Shili; Ding, Hong; Chen, Zhifeng; Xing, Jing; Feng, Huijin; Han, Jie; Jiang, Hualiang; Zheng, Mingyue; Luo, Cheng; Zhou, Bing Discovery of Highly Potent, Selective, and Orally Efficacious p300/CBP Histone Acetyltransferases Inhibitors. Journal of medicinal chemistry, 2020 |
1557183 | CIF | C26 H28 N4 O5 | P 41 | 11.7728; 11.7728; 17.1159 90; 90; 90 | 2372.2 | Yang, Yaxi; Zhang, Rukang; Li, Zhaojun; Mei, Lianghe; Wan, Shili; Ding, Hong; Chen, Zhifeng; Xing, Jing; Feng, Huijin; Han, Jie; Jiang, Hualiang; Zheng, Mingyue; Luo, Cheng; Zhou, Bing Discovery of Highly Potent, Selective, and Orally Efficacious p300/CBP Histone Acetyltransferases Inhibitors. Journal of medicinal chemistry, 2020 |
1553279 | CIF | C9 H7 Cl N4 | P 1 21/n 1 | 8.2465; 6.6263; 16.392 90; 97.969; 90 | 887.07 | Tokarenko, Anna; Lišková, Barbora; Smoleń, Sabina; Táborská, Natálie; Tichý, Michal; Gurská, Soňa; Perlíková, Pavla; Frydrych, Ivo; Tloušt'ová, Eva; Znojek, Pawel; Mertlíková-Kaiserová, Helena; Poštová Slavětínská, Lenka; Pohl, Radek; Klepetářová, Blanka; Khalid, Noor-Ul-Ain; Wenren, Yiqian; Laposa, Rebecca R.; Džubák, Petr; Hajdúch, Marián; Hocek, Michal Synthesis and Cytotoxic and Antiviral Profiling of Pyrrolo- and Furo-Fused 7-Deazapurine Ribonucleosides. Journal of medicinal chemistry, 2018, 61, 9347-9359 |
1553278 | CIF | C9 H7 Cl N6 | P 21 21 21 | 5.436; 9.003; 21.664 90; 90; 90 | 1060.2 | Tokarenko, Anna; Lišková, Barbora; Smoleń, Sabina; Táborská, Natálie; Tichý, Michal; Gurská, Soňa; Perlíková, Pavla; Frydrych, Ivo; Tloušt'ová, Eva; Znojek, Pawel; Mertlíková-Kaiserová, Helena; Poštová Slavětínská, Lenka; Pohl, Radek; Klepetářová, Blanka; Khalid, Noor-Ul-Ain; Wenren, Yiqian; Laposa, Rebecca R.; Džubák, Petr; Hajdúch, Marián; Hocek, Michal Synthesis and Cytotoxic and Antiviral Profiling of Pyrrolo- and Furo-Fused 7-Deazapurine Ribonucleosides. Journal of medicinal chemistry, 2018, 61, 9347-9359 |
1553277 | CIF | C19 H24 Cl Cu N5 O2 S | P 1 21/c 1 | 16.5043; 17.7857; 7.1311 90; 96.241; 90 | 2080.9 | Ohui, Kateryna; Afanasenko, Eleonora; Bacher, Felix; Ting, Rachel Lim Xue; Zafar, Ayesha; Blanco-Cabra, Núria; Torrents, Eduard; Dömötör, Orsolya; May, Nóra V; Darvasiova, Denisa; Enyedy, Éva A; Popović-Bijelić, Ana; Reynisson, Jóhannes; Rapta, Peter; Babak, Maria V.; Pastorin, Giorgia; Arion, Vladimir B. New Water-Soluble Copper(II) Complexes with Morpholine-Thiosemicarbazone Hybrids: Insights into the Anticancer and Antibacterial Mode of Action. Journal of medicinal chemistry, 2019, 62, 512-530 |
1553276 | CIF | C49.75 H73 Cl3 Cu3 N15 O7.75 S3 | P 1 21/n 1 | 22.2413; 8.3324; 31.9121 90; 90.5654; 90 | 5913.8 | Ohui, Kateryna; Afanasenko, Eleonora; Bacher, Felix; Ting, Rachel Lim Xue; Zafar, Ayesha; Blanco-Cabra, Núria; Torrents, Eduard; Dömötör, Orsolya; May, Nóra V; Darvasiova, Denisa; Enyedy, Éva A; Popović-Bijelić, Ana; Reynisson, Jóhannes; Rapta, Peter; Babak, Maria V.; Pastorin, Giorgia; Arion, Vladimir B. New Water-Soluble Copper(II) Complexes with Morpholine-Thiosemicarbazone Hybrids: Insights into the Anticancer and Antibacterial Mode of Action. Journal of medicinal chemistry, 2019, 62, 512-530 |
1553275 | CIF | C13 H19 N5 O S | P 1 21/c 1 | 22.7776; 6.8585; 9.88 90; 98.889; 90 | 1524.92 | Ohui, Kateryna; Afanasenko, Eleonora; Bacher, Felix; Ting, Rachel Lim Xue; Zafar, Ayesha; Blanco-Cabra, Núria; Torrents, Eduard; Dömötör, Orsolya; May, Nóra V; Darvasiova, Denisa; Enyedy, Éva A; Popović-Bijelić, Ana; Reynisson, Jóhannes; Rapta, Peter; Babak, Maria V.; Pastorin, Giorgia; Arion, Vladimir B. New Water-Soluble Copper(II) Complexes with Morpholine-Thiosemicarbazone Hybrids: Insights into the Anticancer and Antibacterial Mode of Action. Journal of medicinal chemistry, 2019, 62, 512-530 |
1553274 | CIF | C14 H21 N5 O S | P 1 21/c 1 | 6.1236; 7.95; 30.956 90; 92.419; 90 | 1505.68 | Ohui, Kateryna; Afanasenko, Eleonora; Bacher, Felix; Ting, Rachel Lim Xue; Zafar, Ayesha; Blanco-Cabra, Núria; Torrents, Eduard; Dömötör, Orsolya; May, Nóra V; Darvasiova, Denisa; Enyedy, Éva A; Popović-Bijelić, Ana; Reynisson, Jóhannes; Rapta, Peter; Babak, Maria V.; Pastorin, Giorgia; Arion, Vladimir B. New Water-Soluble Copper(II) Complexes with Morpholine-Thiosemicarbazone Hybrids: Insights into the Anticancer and Antibacterial Mode of Action. Journal of medicinal chemistry, 2019, 62, 512-530 |
1553273 | CIF | C48.75 H69 Cl3 Cu3 N15 O3.75 S3 | P 1 21/n 1 | 24.702; 9.1959; 25.064 90; 100.971; 90 | 5589.4 | Ohui, Kateryna; Afanasenko, Eleonora; Bacher, Felix; Ting, Rachel Lim Xue; Zafar, Ayesha; Blanco-Cabra, Núria; Torrents, Eduard; Dömötör, Orsolya; May, Nóra V; Darvasiova, Denisa; Enyedy, Éva A; Popović-Bijelić, Ana; Reynisson, Jóhannes; Rapta, Peter; Babak, Maria V.; Pastorin, Giorgia; Arion, Vladimir B. New Water-Soluble Copper(II) Complexes with Morpholine-Thiosemicarbazone Hybrids: Insights into the Anticancer and Antibacterial Mode of Action. Journal of medicinal chemistry, 2019, 62, 512-530 |
1553272 | CIF | C18 H21 N5 O S | P 1 21/n 1 | 7.1287; 15.0536; 16.4704 90; 97.81; 90 | 1751.09 | Ohui, Kateryna; Afanasenko, Eleonora; Bacher, Felix; Ting, Rachel Lim Xue; Zafar, Ayesha; Blanco-Cabra, Núria; Torrents, Eduard; Dömötör, Orsolya; May, Nóra V; Darvasiova, Denisa; Enyedy, Éva A; Popović-Bijelić, Ana; Reynisson, Jóhannes; Rapta, Peter; Babak, Maria V.; Pastorin, Giorgia; Arion, Vladimir B. New Water-Soluble Copper(II) Complexes with Morpholine-Thiosemicarbazone Hybrids: Insights into the Anticancer and Antibacterial Mode of Action. Journal of medicinal chemistry, 2019, 62, 512-530 |
1553271 | CIF | C12 H17 N5 O S | P 1 21/c 1 | 11.544; 13.204; 10.086 90; 112.081; 90 | 1424.6 | Ohui, Kateryna; Afanasenko, Eleonora; Bacher, Felix; Ting, Rachel Lim Xue; Zafar, Ayesha; Blanco-Cabra, Núria; Torrents, Eduard; Dömötör, Orsolya; May, Nóra V; Darvasiova, Denisa; Enyedy, Éva A; Popović-Bijelić, Ana; Reynisson, Jóhannes; Rapta, Peter; Babak, Maria V.; Pastorin, Giorgia; Arion, Vladimir B. New Water-Soluble Copper(II) Complexes with Morpholine-Thiosemicarbazone Hybrids: Insights into the Anticancer and Antibacterial Mode of Action. Journal of medicinal chemistry, 2019, 62, 512-530 |
1553270 | CIF | C16 H23 N5 O2 S | P 1 21/c 1 | 13.3622; 5.8899; 21.414 90; 91.631; 90 | 1684.6 | Ohui, Kateryna; Afanasenko, Eleonora; Bacher, Felix; Ting, Rachel Lim Xue; Zafar, Ayesha; Blanco-Cabra, Núria; Torrents, Eduard; Dömötör, Orsolya; May, Nóra V; Darvasiova, Denisa; Enyedy, Éva A; Popović-Bijelić, Ana; Reynisson, Jóhannes; Rapta, Peter; Babak, Maria V.; Pastorin, Giorgia; Arion, Vladimir B. New Water-Soluble Copper(II) Complexes with Morpholine-Thiosemicarbazone Hybrids: Insights into the Anticancer and Antibacterial Mode of Action. Journal of medicinal chemistry, 2019, 62, 512-530 |
1553269 | CIF | C13 H18 Cl Cu N5 O S | C 1 2/c 1 | 15.7566; 14.2967; 14.2703 90; 92.971; 90 | 3210.3 | Ohui, Kateryna; Afanasenko, Eleonora; Bacher, Felix; Ting, Rachel Lim Xue; Zafar, Ayesha; Blanco-Cabra, Núria; Torrents, Eduard; Dömötör, Orsolya; May, Nóra V; Darvasiova, Denisa; Enyedy, Éva A; Popović-Bijelić, Ana; Reynisson, Jóhannes; Rapta, Peter; Babak, Maria V.; Pastorin, Giorgia; Arion, Vladimir B. New Water-Soluble Copper(II) Complexes with Morpholine-Thiosemicarbazone Hybrids: Insights into the Anticancer and Antibacterial Mode of Action. Journal of medicinal chemistry, 2019, 62, 512-530 |
1553268 | CIF | C15 H23 Cl Cu N6 O2 S | P 1 21/c 1 | 9.3959; 19.8889; 10.9744 90; 108.366; 90 | 1946.37 | Ohui, Kateryna; Afanasenko, Eleonora; Bacher, Felix; Ting, Rachel Lim Xue; Zafar, Ayesha; Blanco-Cabra, Núria; Torrents, Eduard; Dömötör, Orsolya; May, Nóra V; Darvasiova, Denisa; Enyedy, Éva A; Popović-Bijelić, Ana; Reynisson, Jóhannes; Rapta, Peter; Babak, Maria V.; Pastorin, Giorgia; Arion, Vladimir B. New Water-Soluble Copper(II) Complexes with Morpholine-Thiosemicarbazone Hybrids: Insights into the Anticancer and Antibacterial Mode of Action. Journal of medicinal chemistry, 2019, 62, 512-530 |
1553267 | CIF | C12 H22 Cl Cu N5 O4 S | P -1 | 9.2626; 9.5087; 11.0617 89.565; 76.519; 67.742 | 873.29 | Ohui, Kateryna; Afanasenko, Eleonora; Bacher, Felix; Ting, Rachel Lim Xue; Zafar, Ayesha; Blanco-Cabra, Núria; Torrents, Eduard; Dömötör, Orsolya; May, Nóra V; Darvasiova, Denisa; Enyedy, Éva A; Popović-Bijelić, Ana; Reynisson, Jóhannes; Rapta, Peter; Babak, Maria V.; Pastorin, Giorgia; Arion, Vladimir B. New Water-Soluble Copper(II) Complexes with Morpholine-Thiosemicarbazone Hybrids: Insights into the Anticancer and Antibacterial Mode of Action. Journal of medicinal chemistry, 2019, 62, 512-530 |
1553266 | CIF | C26 H24 N2 O2 | P 1 21/c 1 | 10.2122; 16.083; 12.5447 90; 104.737; 90 | 1992.6 | Wu, Qiong; Zheng, Kangdi; Huang, Xiaoting; Li, Li; Mei, Wenjie Tanshinone-IIA-Based Analogues of Imidazole Alkaloid Act as Potent Inhibitors To Block Breast Cancer Invasion and Metastasis in Vivo. Journal of medicinal chemistry, 2018, 61, 10488-10501 |
1553265 | CIF | C12 H11.556 N0.889 O0.889 | P 1 21/c 1 | 12.27; 21.5852; 8.2015 90; 99.774; 90 | 2140.64 | Wu, Qiong; Zheng, Kangdi; Huang, Xiaoting; Li, Li; Mei, Wenjie Tanshinone-IIA-Based Analogues of Imidazole Alkaloid Act as Potent Inhibitors To Block Breast Cancer Invasion and Metastasis in Vivo. Journal of medicinal chemistry, 2018, 61, 10488-10501 |
1553264 | CIF | C26 H23 N3 O3 | P -1 | 7.738; 10.534; 14.044 70.163; 86.367; 81.901 | 1065.9 | Wu, Qiong; Zheng, Kangdi; Huang, Xiaoting; Li, Li; Mei, Wenjie Tanshinone-IIA-Based Analogues of Imidazole Alkaloid Act as Potent Inhibitors To Block Breast Cancer Invasion and Metastasis in Vivo. Journal of medicinal chemistry, 2018, 61, 10488-10501 |
1553263 | CIF | C18.75 H26 Cl Ir N5 O0.75 | P b c a | 11.78544; 14.43434; 23.04719 90; 90; 90 | 3920.67 | Chen, Feng; Moat, John; McFeely, Daniel; Clarkson, Guy; Hands-Portman, Ian J; Furner-Pardoe, Jessica P; Harrison, Freya; Dowson, Christopher G.; Sadler, Peter J. Biguanide Iridium(III) Complexes with Potent Antimicrobial Activity. Journal of medicinal chemistry, 2018, 61, 7330-7344 |
1553262 | CIF | C29.2 H31.8 Cl Ir N5 O0.2 | P -1 | 9.804; 15.8991; 18.4457 82.7271; 86.7456; 72.239 | 2715.65 | Chen, Feng; Moat, John; McFeely, Daniel; Clarkson, Guy; Hands-Portman, Ian J; Furner-Pardoe, Jessica P; Harrison, Freya; Dowson, Christopher G.; Sadler, Peter J. Biguanide Iridium(III) Complexes with Potent Antimicrobial Activity. Journal of medicinal chemistry, 2018, 61, 7330-7344 |
1553261 | CIF | C27 H32 N2 O4 | P 1 21/c 1 | 9.41991; 10.1144; 23.7285 90; 91.6653; 90 | 2259.82 | Zhang, Xiao-Ru; Wang, Hao-Wen; Tang, Wen-Lin; Zhang, Yu; Yang, Hui; Hu, De-Xuan; Ravji, Azhar; Marchand, Christophe; Kiselev, Evgeny; Ofori-Atta, Kwabena; Agama, Keli; Pommier, Yves; An, Lin-Kun Discovery, Synthesis, and Evaluation of Oxynitidine Derivatives as Dual Inhibitors of DNA Topoisomerase IB (TOP1) and Tyrosyl-DNA Phosphodiesterase 1 (TDP1), and Potential Antitumor Agents. Journal of medicinal chemistry, 2018, 61, 9908-9930 |
1553260 | CIF | C21 H25 F2 N3 O2 | P 21 21 21 | 7.5165; 8.0959; 24.661 90; 90; 90 | 1500.7 | Das, Pronay; Babbar, Palak; Malhotra, Nipun; Sharma, Manmohan; Jachak, Goraknath R.; Gonnade, Rajesh G.; Shanmugam, Dhanasekaran; Harlos, Karl; Yogavel, Manickam; Sharma, Amit; Reddy, D. Srinivasa Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite. Journal of medicinal chemistry, 2018, 61, 5664-5678 |
1553259 | CIF | C16 H20 O5 | P 1 21 1 | 7.7904; 11.4929; 16.2869 90; 103.739; 90 | 1416.5 | Das, Pronay; Babbar, Palak; Malhotra, Nipun; Sharma, Manmohan; Jachak, Goraknath R.; Gonnade, Rajesh G.; Shanmugam, Dhanasekaran; Harlos, Karl; Yogavel, Manickam; Sharma, Amit; Reddy, D. Srinivasa Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite. Journal of medicinal chemistry, 2018, 61, 5664-5678 |
1553258 | CIF | C16 H20 O5 | P 43 21 2 | 8.0784; 8.0784; 45.237 90; 90; 90 | 2952.2 | Das, Pronay; Babbar, Palak; Malhotra, Nipun; Sharma, Manmohan; Jachak, Goraknath R.; Gonnade, Rajesh G.; Shanmugam, Dhanasekaran; Harlos, Karl; Yogavel, Manickam; Sharma, Amit; Reddy, D. Srinivasa Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite. Journal of medicinal chemistry, 2018, 61, 5664-5678 |
1553257 | CIF | C H O | P 21 21 21 | 6.9288; 7.9172; 52.844 90; 90; 90 | 2898.8 | Das, Pronay; Babbar, Palak; Malhotra, Nipun; Sharma, Manmohan; Jachak, Goraknath R.; Gonnade, Rajesh G.; Shanmugam, Dhanasekaran; Harlos, Karl; Yogavel, Manickam; Sharma, Amit; Reddy, D. Srinivasa Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite. Journal of medicinal chemistry, 2018, 61, 5664-5678 |
1553256 | CIF | C26 H20 F N5 O2 | P -1 | 7.7758; 10.3458; 14.6505 71.053; 75.006; 80.624 | 1072.75 | Zhao, Yujun; Zhou, Bing; Bai, Longchuan; Liu, Liu; Yang, Chao-Yie; Meagher, Jennifer L.; Stuckey, Jeanne A.; McEachern, Donna; Przybranowski, Sally; Wang, Mi; Ran, Xu; Aguilar, Angelo; Hu, Yang; Kampf, Jeff W.; Li, Xiaoqin; Zhao, Ting; Li, Siwei; Wen, Bo; Sun, Duxin; Wang, Shaomeng Structure-Based Discovery of CF53 as a Potent and Orally Bioavailable Bromodomain and Extra-Terminal (BET) Bromodomain Inhibitor. Journal of medicinal chemistry, 2018, 61, 6110-6120 |
1553255 | CIF | C12 H11 N O3 | P 21 21 21 | 6.917; 8.4769; 18.1729 90; 90; 90 | 1065.56 | Xue, Yu; Song, Peiran; Song, Zilan; Wang, Aoli; Tong, Linjiang; Geng, Meiyu; Ding, Jian; Liu, Qingsong; Sun, Liping; Xie, Hua; Zhang, Ao Discovery of 4,7-Diamino-5-(4-phenoxyphenyl)-6-methylene-pyrimido[5,4- b]pyrrolizines as Novel Bruton's Tyrosine Kinase Inhibitors. Journal of medicinal chemistry, 2018, 61, 4608-4627 |
1553254 | CIF | C27 H28 Br N5 O3 | P 1 21 1 | 13.774; 18.775; 10.658 90; 110.084; 90 | 2588.6 | Xue, Yu; Song, Peiran; Song, Zilan; Wang, Aoli; Tong, Linjiang; Geng, Meiyu; Ding, Jian; Liu, Qingsong; Sun, Liping; Xie, Hua; Zhang, Ao Discovery of 4,7-Diamino-5-(4-phenoxyphenyl)-6-methylene-pyrimido[5,4- b]pyrrolizines as Novel Bruton's Tyrosine Kinase Inhibitors. Journal of medicinal chemistry, 2018, 61, 4608-4627 |
1553253 | CIF | C19 H23 Cl F N O4 S | P 1 21/c 1 | 22.01; 9.223; 9.454 90; 100.101; 90 | 1889.4 | Focken, Thilo; Chowdhury, Sultan; Zenova, Alla; Grimwood, Michael E.; Chabot, Christine; Sheng, Tao; Hemeon, Ivan; Decker, Shannon M.; Wilson, Michael; Bichler, Paul; Jia, Qi; Sun, Shaoyi; Young, Clint; Lin, Sophia; Goodchild, Samuel J.; Shuart, Noah G.; Chang, Elaine; Xie, Zhiwei; Li, Bowen; Khakh, Kuldip; Bankar, Girish; Waldbrook, Matthew; Kwan, Rainbow; Nelkenbrecher, Karen; Karimi Tari, Parisa; Chahal, Navjot; Sojo, Luis; Robinette, C. Lee; White, Andrew D.; Chen, Chien-An; Zhang, Yi; Pang, Jodie; Chang, Jae H.; Hackos, David H.; Johnson, Jr, J P; Cohen, Charles J.; Ortwine, Daniel F.; Sutherlin, Daniel P.; Dehnhardt, Christoph M.; Safina, Brian S. Design of Conformationally Constrained Acyl Sulfonamide Isosteres: Identification of N-([1,2,4]Triazolo[4,3- a]pyridin-3-yl)methane-sulfonamides as Potent and Selective hNa<sub>V</sub>1.7 Inhibitors for the Treatment of Pain. Journal of medicinal chemistry, 2018, 61, 4810-4831 |
1553252 | CIF | C41 H63 N7 O9 | P 21 21 21 | 13.1244; 13.601; 48.964 90; 90; 90 | 8740.3 | Hickey, Jennifer L.; Zaretsky, Serge; St Denis, Megan A.; Kumar Chakka, Sai; Morshed, M. Monzur; Scully, Conor C. G.; Roughton, Andrew L.; Yudin, Andrei K. Passive Membrane Permeability of Macrocycles Can Be Controlled by Exocyclic Amide Bonds. Journal of medicinal chemistry, 2016, 59, 5368-5376 |
1553251 | CIF | C41.5 H70 N7 O13 | P 21 21 21 | 13.571; 17.6203; 21.2057 90; 90; 90 | 5070.8 | Hickey, Jennifer L.; Zaretsky, Serge; St Denis, Megan A.; Kumar Chakka, Sai; Morshed, M. Monzur; Scully, Conor C. G.; Roughton, Andrew L.; Yudin, Andrei K. Passive Membrane Permeability of Macrocycles Can Be Controlled by Exocyclic Amide Bonds. Journal of medicinal chemistry, 2016, 59, 5368-5376 |
1553250 | CIF | C23 H31 F N3 O10 P | C 1 2 1 | 30.024; 7.0591; 13.29 90; 101.32; 90 | 2761.9 | Peng, Youmei; Yu, Wenquan; Li, Ertong; Kang, Jinfeng; Wang, Yafeng; Yang, Qinghua; Liu, Bingjie; Zhang, Jingmin; Li, Longyu; Wu, Jie; Jiang, Jinhua; Wang, Qingduan; Chang, Junbiao Discovery of an Orally Active and Liver-Targeted Prodrug of 5-Fluoro-2'-Deoxyuridine for the Treatment of Hepatocellular Carcinoma. Journal of medicinal chemistry, 2016, 59, 3661-3670 |
1553249 | CIF | C21 H24 O5 | P 21 21 21 | 4.9653; 10.6228; 34.2129 90; 90; 90 | 1804.57 | Jiang, Junhang; Zheng, Canhui; Zhu, Kongkai; Liu, Jia; Sun, Nannan; Wang, Chongqing; Jiang, Hualiang; Zhu, Ju; Luo, Cheng; Zhou, Youjun Quantum chemistry calculation-aided structural optimization of combretastatin A-4-like tubulin polymerization inhibitors: improved stability and biological activity. Journal of medicinal chemistry, 2015, 58, 2538-2546 |
1552566 | CIF | C17 H17 Cl F3 N5 S | P -1 | 6.853; 9.4417; 14.5253 95.002; 90.639; 104.895 | 904.26 | Ogasawara, Daisuke; Ichu, Taka-Aki; Jing, Hui; Hulce, Jonathan J.; Reed, Alex; Ulanovskaya, Olesya A.; Cravatt, Benjamin F. Discovery and Optimization of Selective and in Vivo Active Inhibitors of the Lysophosphatidylserine Lipase α/β-Hydrolase Domain-Containing 12 (ABHD12). Journal of medicinal chemistry, 2019, 62, 1643-1656 |
1552565 | CIF | C24 H26 N2 O4 | P 1 21 1 | 11.4081; 16.2769; 12.6451 90; 116.589; 90 | 2099.7 | Mir, Fatemeh M.; Atmuri, N. D. Prasad; Bourguet, Carine B.; Fores, Jennifer Rodon; Hou, Xin; Chemtob, Sylvain; Lubell, William D. Paired Utility of Aza-Amino Acyl Proline and Indolizidinone Amino Acid Residues for Peptide Mimicry: Conception of Prostaglandin F2α Receptor Allosteric Modulators That Delay Preterm Birth. Journal of medicinal chemistry, 2019, 62, 4500-4525 |
1552564 | CIF | C24 H26 N2 O5 | P 21 21 21 | 5.3744; 13.834; 28.1059 90; 90; 90 | 2089.7 | Mir, Fatemeh M.; Atmuri, N. D. Prasad; Bourguet, Carine B.; Fores, Jennifer Rodon; Hou, Xin; Chemtob, Sylvain; Lubell, William D. Paired Utility of Aza-Amino Acyl Proline and Indolizidinone Amino Acid Residues for Peptide Mimicry: Conception of Prostaglandin F2α Receptor Allosteric Modulators That Delay Preterm Birth. Journal of medicinal chemistry, 2019, 62, 4500-4525 |
1552563 | CIF | C36 H22 F6 Ir N6 P S2 | P -1 | 13.4535; 16.0914; 19.2715 111.899; 93.037; 111.657 | 3508.7 | Cao, Jian-Jun; Zheng, Yue; Wu, Xiao-Wen; Tan, Cai-Ping; Chen, Mu-He; Wu, Na; Ji, Liang-Nian; Mao, Zong-Wan Anticancer Cyclometalated Iridium(III) Complexes with Planar Ligands: Mitochondrial DNA Damage and Metabolism Disturbance. Journal of medicinal chemistry, 2019, 62, 3311-3322 |
1552562 | CIF | C10 H12 F2 N2 O5 | P 21 21 21 | 5.8735; 13.5166; 14.1374 90; 90; 90 | 1122.36 | Yoon, Ji-Seong; Kim, Gyudong; Jarhad, Dnyandev B.; Kim, Hong-Rae; Shin, Young-Sup; Qu, Shuhao; Sahu, Pramod K.; Kim, Hea Ok; Lee, Hyuk Woo; Wang, Su Bin; Kong, Yun Jeong; Chang, Tong-Shin; Ogando, Natacha S.; Kovacikova, Kristina; Snijder, Eric J.; Posthuma, Clara C.; van Hemert, Martijn J.; Jeong, Lak Shin Design, Synthesis, and Anti-RNA Virus Activity of 6'-Fluorinated-Aristeromycin Analogues. Journal of medicinal chemistry, 2019, 62, 6346-6362 |
1552561 | CIF | C11 H16 F2 N5 O4.5 | P 1 21 1 | 10.20373; 6.97368; 18.69692 90; 96.8278; 90 | 1320.99 | Yoon, Ji-Seong; Kim, Gyudong; Jarhad, Dnyandev B.; Kim, Hong-Rae; Shin, Young-Sup; Qu, Shuhao; Sahu, Pramod K.; Kim, Hea Ok; Lee, Hyuk Woo; Wang, Su Bin; Kong, Yun Jeong; Chang, Tong-Shin; Ogando, Natacha S.; Kovacikova, Kristina; Snijder, Eric J.; Posthuma, Clara C.; van Hemert, Martijn J.; Jeong, Lak Shin Design, Synthesis, and Anti-RNA Virus Activity of 6'-Fluorinated-Aristeromycin Analogues. Journal of medicinal chemistry, 2019, 62, 6346-6362 |
1552560 | CIF | C10 H13 F N2 O5 | P 32 2 1 | 6.6465; 6.6465; 43.3632 90; 90; 120 | 1658.97 | Yoon, Ji-Seong; Kim, Gyudong; Jarhad, Dnyandev B.; Kim, Hong-Rae; Shin, Young-Sup; Qu, Shuhao; Sahu, Pramod K.; Kim, Hea Ok; Lee, Hyuk Woo; Wang, Su Bin; Kong, Yun Jeong; Chang, Tong-Shin; Ogando, Natacha S.; Kovacikova, Kristina; Snijder, Eric J.; Posthuma, Clara C.; van Hemert, Martijn J.; Jeong, Lak Shin Design, Synthesis, and Anti-RNA Virus Activity of 6'-Fluorinated-Aristeromycin Analogues. Journal of medicinal chemistry, 2019, 62, 6346-6362 |
1552559 | CIF | C19 H12 Br N O4 | P b c a | 7.513; 13.49; 32.45 90; 90; 90 | 3289 | Kundu, Tania; Bhattacharjee, Bharati; Hazra, Subhenjit; Ghosh, Arnab K.; Bandyopadhyay, Debasish; Pramanik, Animesh Synthesis and Biological Assessment of Pyrrolobenzoxazine Scaffold as a Potent Antioxidant. Journal of medicinal chemistry, 2019, 62, 6315-6329 |
1552558 | CIF | C27 H29 N5 O3 | P 1 | 8.6537; 8.8678; 16.7811 77.756; 82.545; 68.655 | 1170.2 | Guo, Yunhang; Liu, Ye; Hu, Nan; Yu, Desheng; Zhou, Changyou; Shi, Gongyin; Zhang, Bo; Wei, Min; Liu, Junhua; Luo, Lusong; Tang, Zhiyu; Song, Huipeng; Guo, Yin; Liu, Xuesong; Su, Dan; Zhang, Shuo; Song, Xiaomin; Zhou, Xing; Hong, Yuan; Chen, Shuaishuai; Cheng, Zhenzhen; Young, Steve; Wei, Qiang; Wang, Haisheng; Wang, Qiuwen; Lv, Lei; Wang, Fan; Xu, Haipeng; Sun, Hanzi; Xing, Haimei; Li, Na; Zhang, Wei; Wang, Zhongbo; Liu, Guodong; Sun, Zhijian; Zhou, Dongping; Li, Wei; Liu, Libin; Wang, Lai; Wang, Zhiwei Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. Journal of medicinal chemistry, 2019, 62, 7923-7940 |
1552491 | CIF | C14 H22 O5 | P 21 21 21 | 5.7488; 9.3963; 27.2172 90; 90; 90 | 1470.2 | Policarpo, Rocco L.; Decultot, Ludovic; May, Elizabeth; Kuzmič, Petr; Carlson, Samuel; Huang, Danny; Chu, Vincent; Wright, Brandon A.; Dhakshinamoorthy, Saravanakumar; Kannt, Aimo; Rani, Shilpa; Dittakavi, Sreekanth; Panarese, Joseph D.; Gaudet, Rachelle; Shair, Matthew D. High-Affinity Alkynyl Bisubstrate Inhibitors of Nicotinamide <i>N</i>-Methyltransferase (NNMT). Journal of medicinal chemistry, 2019 |
1552490 | CIF | C13 H18 O4 | P 1 21 1 | 5.7618; 19.4824; 11.8204 90; 90.0232; 90 | 1326.88 | Policarpo, Rocco L.; Decultot, Ludovic; May, Elizabeth; Kuzmič, Petr; Carlson, Samuel; Huang, Danny; Chu, Vincent; Wright, Brandon A.; Dhakshinamoorthy, Saravanakumar; Kannt, Aimo; Rani, Shilpa; Dittakavi, Sreekanth; Panarese, Joseph D.; Gaudet, Rachelle; Shair, Matthew D. High-Affinity Alkynyl Bisubstrate Inhibitors of Nicotinamide <i>N</i>-Methyltransferase (NNMT). Journal of medicinal chemistry, 2019 |
1552489 | CIF | C26 H30 F3 N7 O9 | P 1 | 5.0591; 10.9615; 13.2 103.037; 90.846; 90.3108 | 713.03 | Policarpo, Rocco L.; Decultot, Ludovic; May, Elizabeth; Kuzmič, Petr; Carlson, Samuel; Huang, Danny; Chu, Vincent; Wright, Brandon A.; Dhakshinamoorthy, Saravanakumar; Kannt, Aimo; Rani, Shilpa; Dittakavi, Sreekanth; Panarese, Joseph D.; Gaudet, Rachelle; Shair, Matthew D. High-Affinity Alkynyl Bisubstrate Inhibitors of Nicotinamide <i>N</i>-Methyltransferase (NNMT). Journal of medicinal chemistry, 2019 |
1552488 | CIF | C13 H15 N3 O5 S | P 1 21/c 1 | 12.3726; 11.22; 10.9487 90; 99.0665; 90 | 1500.92 | Shao, Xuwei; AbdelKhalek, Ahmed; Abutaleb, Nader S.; Velagapudi, Uday Kiran; Yoganathan, Sabesan; Seleem, Mohamed N.; Talele, Tanaji T. Chemical Space Exploration around Thieno[3,2-<i>d</i>]pyrimidin-4(3<i>H</i>)-one Scaffold Led to a Novel Class of Highly Active <i>Clostridium difficile</i> Inhibitors. Journal of medicinal chemistry, 2019 |
1552487 | CIF | C21 H23 F3 N4 O2 S2 | P 1 21/n 1 | 17.147; 12.1241; 21.6325 90; 97.3465; 90 | 4460.3 | Focken, Thilo; Burford, Kristen; Grimwood, Michael E.; Zenova, Alla; Andrez, Jean-Christophe; Gong, Wei; Wilson, Michael; Taron, Matt; Decker, Shannon; Lofstrand, Verner; Chowdhury, Sultan; Shuart, Noah; Lin, Sophia; Goodchild, Samuel J.; Young, Clint; Soriano, Maegan; Tari, Parisa K.; Waldbrook, Matthew; Nelkenbrecher, Karen; Kwan, Rainbow; Lindgren, Andrea; de Boer, Gina; Lee, Stephanie; Sojo, Luis; DeVita, Robert J.; Cohen, Charles J.; Wesolowski, Steven S.; Johnson, Jr, J P; Dehnhardt, Christoph M.; Empfield, James R. Identification of CNS-Penetrant Aryl Sulfonamides as Isoform-Selective Na<sub>V</sub>1.6 Inhibitors with Efficacy in Mouse Models of Epilepsy. Journal of medicinal chemistry, 2019 |
1548835 | CIF | C23 H23 N O4 | P 1 21/c 1 | 12.8609; 16.719; 8.987 90; 99.434; 90 | 1906.3 | Zhang, Wei; Lun, Shichun; Wang, Shu-Huan; Jiang, Xing-Wu; Yang, Fan; Tang, Jie; Manson, Abigail L.; Earl, Ashlee M.; Gunosewoyo, Hendra; Bishai, William R.; Yu, Li-Fang Identification of Novel Coumestan Derivatives as Polyketide Synthase 13 Inhibitors against Mycobacterium tuberculosis. Journal of medicinal chemistry, 2018 |
1548826 | CIF | C21 H17 Br F3 N3 O3 | P 21 21 21 | 10.3211; 19.696; 21.463 90; 90; 90 | 4363.1 | Shi, Jun; Gu, Zhengxiang; Jurica, Elizabeth Anne; Wu, Ximao; Haque, Lauren E.; Williams, Kristin N.; Hernandez, Andres S.; Hong, Zhenqiu; Gao, Qi; Dabros, Marta; Davulcu, Akin H.; Mathur, Arvind; Rampulla, Richard A.; Gupta, Arun Kumar; Jayaram, Ramya; Apedo, Atsu; Moore, Douglas B.; Liu, Heng; Kunselman, Lori K.; Brady, Edward J.; Wilkes, Jason J.; Zinker, Bradley A.; Cai, Hong; Shu, Yue-Zhong; Sun, Qin; Dierks, Elizabeth A.; Foster, Kimberly A.; Xu, Carrie; Wang, Tao; Panemangalore, Reshma; Cvijic, Mary Ellen; Xie, Chunshan; Cao, Gary G.; Zhou, Min; Krupinski, John; Whaley, Jean M.; Robl, Jeffrey A.; Ewing, William R.; Ellsworth, Bruce Alan Discovery of Potent and Orally Bioavailable Dihydropyrazole GPR40 Agonists. Journal of medicinal chemistry, 2018 |
1547519 | CIF | C38 H39 F2 N5 O3 | P 1 21 1 | 12.1734; 11.7178; 15.5279 90; 110.903; 90 | 2069.21 | Jiang, Yan; Zhuang, Chunlin; Chen, Long; Lu, Junjie; Dong, Guoqiang; Miao, Zhenyuan; Zhang, Wannian; Li, Jian; Sheng, Chunquan Structural Biology-Inspired Discovery of Novel KRAS-PDEδ Inhibitors. Journal of medicinal chemistry, 2017, 60, 9400-9406 |
1547327 | CIF | C31 H29 Fe N O4 | P 1 21/n 1 | 11.7418; 16.8025; 13.8536 90; 112.354; 90 | 2527.8 | Pigeon, Pascal; Wang, Yong; Top, Siden; Najlaoui, Feten; Garcia Alvarez, Maria Concepcion; Bignon, Jérôme; McGlinchey, Michael J.; Jaouen, Gérard A New Series of Succinimido-ferrociphenols and Related Heterocyclic Species Induce Strong Antiproliferative Effects, Especially against Ovarian Cancer Cells Resistant to Cisplatin. Journal of medicinal chemistry, 2017, 60, 8358-8368 |
1547325 | CIF | C35.5 H41 Fe N O7 | P -1 | 9.6462; 11.3462; 34.2707 81.024; 83.266; 65.585 | 3367.79 | Pigeon, Pascal; Wang, Yong; Top, Siden; Najlaoui, Feten; Garcia Alvarez, Maria Concepcion; Bignon, Jérôme; McGlinchey, Michael J.; Jaouen, Gérard A New Series of Succinimido-ferrociphenols and Related Heterocyclic Species Induce Strong Antiproliferative Effects, Especially against Ovarian Cancer Cells Resistant to Cisplatin. Journal of medicinal chemistry, 2017, 60, 8358-8368 |
1546982 | CIF | C32 H35 N3 Ni O3 | P 1 21 1 | 11.1064; 21.5351; 12.1674 90; 105.031; 90 | 2810.6 | McKinnie, Shaun M. K.; Wang, Wang; Fischer, Conrad; McDonald, Tyler; Kalin, Kevin R.; Iturrioz, Xavier; Llorens-Cortes, Catherine; Oudit, Gavin Y.; Vederas, John C. Synthetic Modification within the "RPRL" Region of Apelin Peptides: Impact on Cardiovascular Activity and Stability to Neprilysin and Plasma Degradation. Journal of medicinal chemistry, 2017, 60, 6408-6427 |
1546508 | CIF | C31 H32 N6 Ni O3 | P 1 21 1 | 10.0992; 20.5006; 13.57 90; 90.2639; 90 | 2809.5 | McKinnie, Shaun M. K.; Wang, Wang; Fischer, Conrad; McDonald, Tyler; Kalin, Kevin R.; Iturrioz, Xavier; Llorens-Cortes, Catherine; Oudit, Gavin Y.; Vederas, John C. Synthetic Modification within the "RPRL" Region of Apelin Peptides: Impact on Cardiovascular Activity and Stability to Neprilysin and Plasma Degradation. Journal of medicinal chemistry, 2017, 60, 6408-6427 |
1546199 | CIF | C25 H24 N2 O3 | P 21 21 21 | 12.237; 12.4525; 13.7714 90; 90; 90 | 2098.5 | Tabata, Hidetsugu; Yoneda, Tetsuya; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki Tolvaptan-Type Vasopressin Receptor Ligands: Important Role of Axial Chirality in the Active Form. Journal of medicinal chemistry, 2017, 60, 4503-4509 |
1545922 | CIF | C37 H39 N O5 | P 21 21 21 | 9.0661; 10.4931; 34.221 90; 90; 90 | 3255.5 | Tan, Liang; Tao, Yunliang; Wang, Ting; Zou, Feng; Zhang, Shuhua; Kou, Qunhuan; Niu, Ao; Chen, Qian; Chu, Wenjing; Chen, Xiaoyan; Wang, Haidong; Yang, Yushe Discovery of Novel Pyridone-Conjugated Monosulfactams as Potent and Broad-Spectrum Antibiotics for Multidrug-Resistant Gram-Negative Infections. Journal of medicinal chemistry, 2017, 60, 2669-2684 |
1545902 | CIF | C23 H27 N O4 | P 1 21 1 | 10.0156; 6.613; 15.9543 90; 91.121; 90 | 1056.5 | Zhang, Chen; Li, Fangqiong; Yu, Yan; Huang, Anbang; He, Ping; Lei, Ming; Wang, Jianmin; Huang, Longbin; Liu, Zhenhong; Liu, Jianyu; Wei, Yonggang Design, Synthesis, and Evaluation of a Series of Novel Benzocyclobutene Derivatives as General Anesthetics. Journal of medicinal chemistry, 2017 |
1545901 | CIF | C22 H28 O4 | P 21 21 21 | 6.1077; 15.287; 21.901 90; 90; 90 | 2044.9 | Zhang, Chen; Li, Fangqiong; Yu, Yan; Huang, Anbang; He, Ping; Lei, Ming; Wang, Jianmin; Huang, Longbin; Liu, Zhenhong; Liu, Jianyu; Wei, Yonggang Design, Synthesis, and Evaluation of a Series of Novel Benzocyclobutene Derivatives as General Anesthetics. Journal of medicinal chemistry, 2017 |
1545900 | CIF | C25 H31 N O2 | P 1 21 1 | 5.4583; 10.396; 19.0896 90; 98.026; 90 | 1072.62 | Qin, Linlin; Ren, Lei; Wan, Songlin; Liu, Guoliang; Luo, Xinfeng; Liu, Zhenhong; Li, Fangqiong; Yu, Yan; Liu, Jianyu; Wei, Yonggang Design, Synthesis, and Evaluation of Novel 2,6-Disubstituted Phenol Derivatives as General Anesthetics. Journal of medicinal chemistry, 2017, 60, 3606-3617 |
1545873 | CIF | C29 H35 N5 O5 S4 | P 1 21 1 | 10.8556; 8.4638; 17.443 90; 96.664; 90 | 1591.8 | Antczak, Monika I.; Zhang, Yongyou; Wang, Changguang; Doran, Jennifer; Naidoo, Jacinth; Voruganti, Sukesh; Williams, Noelle S.; Markowitz, Sanford D.; Ready, Joseph M. Inhibitors of 15-Prostaglandin Dehydrogenase to Potentiate Tissue Repair. Journal of medicinal chemistry, 2017 |
1542627 | CIF | C23 H25 N2 O6 Re | P -1 | 9.569; 9.937; 12.748 89.068; 68.454; 84.701 | 1122.4 | Li, Dan; Chen, Yuanyuan; Wang, Xia; Deuther-Conrad, Winnie; Chen, Xin; Jia, Bing; Dong, Chengyan; Steinbach, Jörg; Brust, Peter; Liu, Boli; Jia, Hongmei (99m)Tc-Cyclopentadienyl Tricarbonyl Chelate-Labeled Compounds as Selective Sigma-2 Receptor Ligands for Tumor Imaging. Journal of medicinal chemistry, 2016, 59, 934-946 |
1542365 | CIF | C22 H17 F O3 S | P -1 | 5.7185; 11.8378; 13.7061 79.111; 86.121; 80.29 | 897.45 | Xiong, Rui; Patel, Hitisha K.; Gutgesell, Lauren M.; Zhao, Jiong; Delgado-Rivera, Loruhama; Pham, Thao N. D.; Zhao, Huiping; Carlson, Kathryn; Martin, Teresa; Katzenellenbogen, John A.; Moore, Terry W.; Tonetti, Debra A.; Thatcher, Gregory R. J. Selective Human Estrogen Receptor Partial Agonists (ShERPAs) for Tamoxifen-Resistant Breast Cancer. Journal of medicinal chemistry, 2016, 59, 219-237 |
1533375 | CIF | C30 H32 Cl F3 N2 O2 Ru | P 1 21/c 1 | 12.5656; 17.1429; 13.9971 90; 108.785; 90 | 2854.5 | Yellol, Jyoti; Pérez, Sergio A; Buceta, Alicia; Yellol, Gorakh; Donaire, Antonio; Szumlas, Piotr; Bednarski, Patrick J.; Makhloufi, Gamall; Janiak, Christoph; Espinosa, Arturo; Ruiz, José Novel C,N-Cyclometalated Benzimidazole Ruthenium(II) and Iridium(III) Complexes as Antitumor and Antiangiogenic Agents: A Structure-Activity Relationship Study. Journal of medicinal chemistry, 2015, 58, 7310-7327 |
1533374 | CIF | C30 H33 Cl F3 Ir N2 O2 | P 1 21/n 1 | 11.3662; 17.1523; 15.528 90; 111.111; 90 | 2824.1 | Yellol, Jyoti; Pérez, Sergio A; Buceta, Alicia; Yellol, Gorakh; Donaire, Antonio; Szumlas, Piotr; Bednarski, Patrick J.; Makhloufi, Gamall; Janiak, Christoph; Espinosa, Arturo; Ruiz, José Novel C,N-Cyclometalated Benzimidazole Ruthenium(II) and Iridium(III) Complexes as Antitumor and Antiangiogenic Agents: A Structure-Activity Relationship Study. Journal of medicinal chemistry, 2015, 58, 7310-7327 |
1529468 | CIF | C20 H17 N3 | P 1 21/c 1 | 17.171; 7.611; 25.394 90; 95.737; 90 | 3302.1 | Fu, Hualong; Cui, Mengchao; Zhao, Liu; Tu, Peiyu; Zhou, Kaixiang; Dai, Jiapei; Liu, Boli Highly Sensitive Near-Infrared Fluorophores for in Vivo Detection of Amyloid-β Plaques in Alzheimer's Disease. Journal of medicinal chemistry, 2015, 58, 6972-6983 |
1529467 | CIF | C18 H15 N3 | P 1 21/c 1 | 15.885; 7.4464; 25.627 90; 104.762; 90 | 2931.3 | Fu, Hualong; Cui, Mengchao; Zhao, Liu; Tu, Peiyu; Zhou, Kaixiang; Dai, Jiapei; Liu, Boli Highly Sensitive Near-Infrared Fluorophores for in Vivo Detection of Amyloid-β Plaques in Alzheimer's Disease. Journal of medicinal chemistry, 2015, 58, 6972-6983 |
1529429 | CIF | C15 H17 F3 O3 | P 21 21 21 | 8.511; 11.945; 14.173 90; 90; 90 | 1440.9 | Yang, Zhong-Jin; Ge, Wei-Zhi; Li, Qiu-Ying; Lu, Yaxin; Gong, Jian-Miao; Kuang, Bei-Jia; Xi, Xiaonan; Wu, Haiting; Zhang, Quan; Chen, Yue Syntheses and Biological Evaluation of Costunolide, Parthenolide, and Their Fluorinated Analogues. Journal of medicinal chemistry, 2015, 58, 7007-7020 |
1529317 | CIF | C16 H14 I N5 | P 1 21 1 | 8.499; 8.394; 11.73 90; 104.19; 90 | 811.292 | Scheuermann, Thomas H.; Stroud, Daniel; Sleet, Christopher E.; Bayeh, Liela; Shokri, Cameron; Wang, Hanzhi; Caldwell, Charles G.; Longgood, Jamie; MacMillan, John B.; Bruick, Richard K.; Gardner, Kevin H.; Tambar, Uttam K. Isoform-Selective and Stereoselective Inhibition of Hypoxia Inducible Factor-2. Journal of medicinal chemistry, 2015, 58, 5930-5941 |
1520217 | CIF | C33 H38 N4 O6 | P 21 21 21 | 11.4867; 12.742; 20.9942 90; 90; 90 | 3072.8 | Dufour-Gallant, Julien; Chatenet, David; Lubell, William D. De Novo Conception of Small Molecule Modulators Based on Endogenous Peptide Ligands: Pyrrolodiazepin-2-one γ-Turn Mimics That Differentially Modulate Urotensin II Receptor-Mediated Vasoconstriction ex Vivo. Journal of medicinal chemistry, 2015, 58, 4624-4637 |
1520062 | CIF | C40 H23 F12 N14 O0.5 P2 Ru | P -1 | 9.2489; 12.1579; 18.0824 82.455; 82.843; 81.221 | 1980.72 | Cloonan, Suzanne M.; Elmes, Robert B. P.; Erby, MariaLuisa; Bright, Sandra A.; Poynton, Fergus E.; Nolan, Derek E.; Quinn, Susan J.; Gunnlaugsson, Thorfinnur; Williams, D. Clive Detailed Biological Profiling of a Photoactivated and Apoptosis Inducing pdppz Ruthenium(II) Polypyridyl Complex in Cancer Cells. Journal of medicinal chemistry, 2015, 58, 4494-4505 |
1519611 | CIF | C12 H15 F N6 O4 | P 43 | 7.3545; 7.3545; 27.835 90; 90; 90 | 1505.6 | Yang, Qinghua; Kang, Jinfeng; Zheng, Liyun; Wang, Xue-Jun; Wan, Na; Wu, Jie; Qiao, Yan; Niu, Pengfei; Wang, Sheng-Qi; Peng, Youmei; Wang, Qingduan; Yu, Wenquan; Chang, Junbiao Synthesis and biological evaluation of 4-substituted fluoronucleoside analogs for the treatment of hepatitis B virus infection. Journal of medicinal chemistry, 2015, 58, 3693-3703 |
1518891 | CIF | C16 H15 N O2 S | P 21 21 21 | 9.29143; 10.36338; 14.7858 90; 90; 90 | 1423.73 | Yoneda, Tetsuya; Tabata, Hidetsugu; Tasaka, Tomohiko Tasaka; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki N-Benzoyl-1,5-benzothiazepine and Its S-Oxide as Vasopres-sin Receptor Ligands: Insight into the Active Stereochemistry around the 7-Membered Ring. Journal of medicinal chemistry, 2015, 150324093458001 |
1518629 | CIF | C31 H26 Cl F9 N O P Pt | P 1 21/c 1 | 17.3951; 14.9557; 11.9109 90; 98.576; 90 | 3064 | Zamora, Ana; Pérez, Sergio A; Rodríguez, Venancio; Janiak, Christoph; Yellol, Gorakh S.; Ruiz, José Dual Antitumor and Antiangiogenic Activity of Organoplatinum(II) Complexes. Journal of medicinal chemistry, 2015, 58, 1320-1336 |
1518628 | CIF | C11 H17 Cl F N O Pt S | P 1 21/c 1 | 5.9315; 12.1005; 19.7 90; 103.067; 90 | 1377.34 | Zamora, Ana; Pérez, Sergio A; Rodríguez, Venancio; Janiak, Christoph; Yellol, Gorakh S.; Ruiz, José Dual Antitumor and Antiangiogenic Activity of Organoplatinum(II) Complexes. Journal of medicinal chemistry, 2015, 58, 1320-1336 |
1518373 | CIF | C34 H33 Cl F6 N2 O P2 Ru | C 1 2/c 1 | 37.882; 10.817; 17.854 90; 108.766; 90 | 6927.1 | Frik, Malgorzata; Martínez, Alberto; Elie, Benelita T.; Gonzalo, Oscar; Ramírez de Mingo, Daniel; Sanaú, Mercedes; Sánchez-Delgado, Roberto; Sadhukha, Tanmoy; Prabha, Swayam; Ramos, Joe W.; Marzo, Isabel; Contel, María In vitro and in vivo evaluation of water-soluble iminophosphorane ruthenium(II) compounds. A potential chemotherapeutic agent for triple negative breast cancer. Journal of medicinal chemistry, 2014, 57, 9995-10012 |
1518236 | CIF | C13 H27 N O4 S | P 1 21 1 | 6.0994; 22.475; 11.962 90; 91.895; 90 | 1638.9 | Maolanon, Alex R.; Villadsen, Jesper S.; Christensen, Niels J.; Hoeck, Casper; Friis, Tina; Harris, Pernille; Gotfredsen, Charlotte H.; Fristrup, Peter; Olsen, Christian A. Methyl effect in azumamides provides insight into histone deacetylase inhibition by macrocycles. Journal of medicinal chemistry, 2014, 57, 9644-9657 |
1518235 | CIF | C15 H33 N O5 S | C 1 2 1 | 17.9092; 6.1043; 17.9815 90; 102.833; 90 | 1916.7 | Maolanon, Alex R.; Villadsen, Jesper S.; Christensen, Niels J.; Hoeck, Casper; Friis, Tina; Harris, Pernille; Gotfredsen, Charlotte H.; Fristrup, Peter; Olsen, Christian A. Methyl effect in azumamides provides insight into histone deacetylase inhibition by macrocycles. Journal of medicinal chemistry, 2014, 57, 9644-9657 |
1518125 | CIF | C21 H25 F N6 O3 | P 1 21 1 | 9.9016; 10.9184; 19.2975 90; 102.826; 90 | 2034.19 | Grillot, Anne-Laure; Le Tiran, Arnaud; Shannon, Dean; Krueger, Elaine; Liao, Yusheng; O'Dowd, Hardwin; Tang, Qing; Ronkin, Steve; Wang, Tiansheng; Waal, Nathan; Li, Pan; Lauffer, David; Sizensky, Emmanuelle; Tanoury, Jerry; Perola, Emanuele; Grossman, Trudy H.; Doyle, Tim; Hanzelka, Brian; Jones, Steven; Dixit, Vaishali; Ewing, Nigel; Liao, Shengkai; Boucher, Brian; Jacobs, Marc; Bennani, Youssef; Charifson, Paul S. Second-generation antibacterial benzimidazole ureas: discovery of a preclinical candidate with reduced metabolic liability. Journal of medicinal chemistry, 2014, 57, 8792-8816 |
1517447 | CIF | C46 H32 F12 N6 O2 P2 Ru | F d d 2 | 43.6636; 43.3688; 9.2311 90; 90; 90 | 17480.4 | Frei, Angelo; Rubbiani, Riccardo; Tubafard, Solmaz; Blacque, Olivier; Anstaett, Philipp; Felgenträger, Ariane; Maisch, Tim; Spiccia, Leone; Gasser, Gilles Synthesis, Characterization, and Biological Evaluation of New Ru(II) Polypyridyl Photosensitizers for Photodynamic Therapy. Journal of medicinal chemistry, 2014, 57, 7280-7292 |
1517410 | CIF | C15 H20 O3 | P 21 21 21 | 6.1945; 10.289; 21.907 90; 90; 90 | 1396.2 | Long, Jing; Zhang, Shan-Feng; Wang, Pan-Pan; Zhang, Xue-Mei; Yang, Zhong-Jin; Zhang, Quan; Chen, Yue Total syntheses of parthenolide and its analogues with macrocyclic stereocontrol. Journal of medicinal chemistry, 2014, 57, 7098-7112 |
1517409 | CIF | C15 H23 N O3 | P 21 21 21 | 11.012; 11.015; 12.183 90; 90; 90 | 1477.8 | Long, Jing; Zhang, Shan-Feng; Wang, Pan-Pan; Zhang, Xue-Mei; Yang, Zhong-Jin; Zhang, Quan; Chen, Yue Total syntheses of parthenolide and its analogues with macrocyclic stereocontrol. Journal of medicinal chemistry, 2014, 57, 7098-7112 |
1517246 | CIF | C16 H31 N3 O11 Pt | P 1 21/n 1 | 13.8623; 8.618; 18.7397 90; 97.841; 90 | 2217.81 | Varbanov, Hristo P.; Göschl, Simone; Heffeter, Petra; Theiner, Sarah; Roller, Alexander; Jensen, Frank; Jakupec, Michael A.; Berger, Walter; Galanski, Markus; Keppler, Bernhard K. A Novel Class of Bis- and Tris-Chelate Diam(m)inebis(dicarboxylato)platinum(IV) Complexes as Potential Anticancer Prodrugs. Journal of medicinal chemistry, 2014, 57, 6751-6764 |
1517245 | CIF | C16 H28 N4 O10 Pt | P 21 21 21 | 8.9059; 11.2218; 22.076 90; 90; 90 | 2206.3 | Varbanov, Hristo P.; Göschl, Simone; Heffeter, Petra; Theiner, Sarah; Roller, Alexander; Jensen, Frank; Jakupec, Michael A.; Berger, Walter; Galanski, Markus; Keppler, Bernhard K. A Novel Class of Bis- and Tris-Chelate Diam(m)inebis(dicarboxylato)platinum(IV) Complexes as Potential Anticancer Prodrugs. Journal of medicinal chemistry, 2014, 57, 6751-6764 |
1517164 | CIF | C23 H25 Cl F6 N3 O P Ru | P 1 21/n 1 | 9.887; 18.473; 14.002 90; 104.589; 90 | 2474.9 | Chow, Mun Juinn; Licona, Cynthia; Yuan Qiang Wong, Daniel; Pastorin, Giorgia; Gaiddon, Christian; Ang, Wee Han Discovery and Investigation of Anticancer Ruthenium-Arene Schiff-Base Complexes via Water-Promoted Combinatorial Three-Component Assembly. Journal of medicinal chemistry, 2014, 57, 6043-6059 |
1516883 | CIF | C14 H13 I O2 | P n a 21 | 6.1079; 7.2239; 28.327 90; 90; 90 | 1249.9 | Yang, Yanping; Cui, Mengchao; Zhang, Xiaoyang; Dai, Jiapei; Zhang, Zhiyong; Lin, Chunping; Guo, Yuzhi; Liu, Boli Radioiodinated Benzyloxybenzene Derivatives: A Class of Flexible Ligands Target to β-Amyloid Plaques in Alzheimer's Brains. Journal of medicinal chemistry, 2014, 57, 6030-6042 |
1516882 | CIF | C14 H13 I O2 | P b c a | 7.8201; 15.7081; 21.1791 90; 90; 90 | 2601.6 | Yang, Yanping; Cui, Mengchao; Zhang, Xiaoyang; Dai, Jiapei; Zhang, Zhiyong; Lin, Chunping; Guo, Yuzhi; Liu, Boli Radioiodinated Benzyloxybenzene Derivatives: A Class of Flexible Ligands Target to β-Amyloid Plaques in Alzheimer's Brains. Journal of medicinal chemistry, 2014, 57, 6030-6042 |
1516003 | CIF | C10 H17 N5 O6 | P 21 21 21 | 7.1785; 10.0813; 17.096 90; 90; 90 | 1237.2 | Clinch, Keith; Watt, Derek K.; Dixon, Rachel A.; Baars, Sylvia M.; Gainsford, Graeme J.; Tiwari, Ashish; Schwarz, Günter; Saotome, Yas; Storek, Michael; Belaidi, Abdel A.; Santamaria-Araujo, Jose A Synthesis of cyclic pyranopterin monophosphate, a biosynthetic intermediate in the molybdenum cofactor pathway. Journal of medicinal chemistry, 2013, 56, 1730-1738 |
1514350 | CIF | C21 H18 Br2 F N3 O | P 21 21 2 | 19.716; 23.201; 4.2513 90; 90; 90 | 1944.7 | Naidoo, Jacinth; De Jesus-Cortes, Hector; Huntington, Paula; Estill, Sandi; Morlock, Lorraine K.; Starwalt, Ruth; Mangano, Thomas J.; Williams, Noelle S.; Pieper, Andrew A.; Ready, Joseph M. Discovery of a Neuroprotective Chemical, (S)-N-(3-(3,6-Dibromo-9H-carbazol-9-yl)-2-fluoropropyl)-6-methoxypyridin-2-amine [(-)-P7C3-S243], with Improved Druglike Properties. Journal of medicinal chemistry, 2014, 57, 3746-3754 |
1513802 | CIF | C36 H46 Cl N5 O6 S | C 1 2 1 | 28.087; 11.9998; 10.9846 90; 90.761; 90 | 3701.9 | Gentles, Robert G.; Ding, Min; Bender, John A.; Bergstrom, Carl P.; Grant-Young, Katharine; Hewawasam, Piyasena; Hudyma, Thomas; Martin, Scott; Nickel, Andrew; Regueiro-Ren, Alicia; Tu, Yong; Yang, Zhong; Yeung, Kap-Sun; Zheng, Xiaofan; Chao, Sam; Sun, Jung-Hui; Beno, Brett R.; Camac, Daniel M.; Chang, Chong-Hwan; Gao, Mian; Morin, Paul E.; Sheriff, Steven; Tredup, Jeff; Wan, John; Witmer, Mark R.; Xie, Dianlin; Hanumegowda, Umesh; Knipe, Jay; Mosure, Kathy; Santone, Kenneth S.; Parker, Dawn D.; Zhuo, Xiaoliang; Lemm, Julie; Liu, Mengping; Pelosi, Lenore; Rigat, Karen; Voss, Stacey; Wang, Yi; Wang, Ying-Kai; Colonno, Richard J.; Gao, Min; Roberts, Susan B.; Gao, Qi; Ng, Alicia; Meanwell, Nicholas A.; Kadow, John F. Discovery and Preclinical Characterization of the Cyclopropylindolobenzazepine BMS-791325, A Potent Allosteric Inhibitor of the Hepatitis C Virus NS5B Polymerase. Journal of medicinal chemistry, 2014, 57, 1855-1879 |
1513077 | CIF | C22 H26 O7 | P 1 21 1 | 8.4083; 10.1331; 11.461 90; 94.736; 90 | 973.2 | Ding, Chunyong; Zhang, Yusong; Chen, Haijun; Yang, Zhengduo; Wild, Christopher; Ye, Na; Ester, Corbin D.; Xiong, Ailian; White, Mark A.; Shen, Qiang; Zhou, Jia Oridonin Ring A-Based Diverse Constructions of Enone Functionality: Identification of Novel Dienone Analogues Effective for Highly Aggressive Breast Cancer by Inducing Apoptosis Journal of Medicinal Chemistry, 2013, 56, 8814 |
1512250 | CIF | C29 H34 Br Cu N9 O2 P | C 1 2/c 1 | 39.605; 14.234; 11.434 90; 96.11; 90 | 6409 | Gandin, Valentina; Porchia, Marina; Tisato, Francesco; Zanella, Alessandro; Severin, Emilia; Dolmella, Alessandro; Marzano, Cristina Novel mixed-ligand copper(i) complexes: role of diimine ligands on cytotoxicity and genotoxicity. Journal of medicinal chemistry, 2013, 56, 7416-7430 |
1512249 | CIF | C24 H27 Cl Cu N6 O P | P 1 21/n 1 | 8.343; 15.605; 20.06 90; 95.36; 90 | 2600.2 | Gandin, Valentina; Porchia, Marina; Tisato, Francesco; Zanella, Alessandro; Severin, Emilia; Dolmella, Alessandro; Marzano, Cristina Novel mixed-ligand copper(i) complexes: role of diimine ligands on cytotoxicity and genotoxicity. Journal of medicinal chemistry, 2013, 56, 7416-7430 |
1512128 | CIF | C25 H22 Cl5 N2 P Pd | P 1 21/n 1 | 13.102; 14.328; 15.347 90; 111.72; 90 | 2676.5 | Lease, Nicholas; Vasilevski, Vadim; Carreira, Monica; de Almeida, Andreia; Sanaú, Mercedes; Hirva, Pipsa; Casini, Angela; Contel, María Potential Anticancer Heterometallic Fe‒Au and Fe‒Pd Agents: Initial Mechanistic Insights Journal of Medicinal Chemistry, 2013, 56, 5806 |
1512127 | CIF | C29 H29 Cl2 Fe N2 O P Pd | P -1 | 9.942; 11.73; 13.316 85.63; 81.75; 65.43 | 1397.4 | Lease, Nicholas; Vasilevski, Vadim; Carreira, Monica; de Almeida, Andreia; Sanaú, Mercedes; Hirva, Pipsa; Casini, Angela; Contel, María Potential Anticancer Heterometallic Fe‒Au and Fe‒Pd Agents: Initial Mechanistic Insights Journal of Medicinal Chemistry, 2013, 56, 5806 |
1511977 | CIF | C21 H25 F N O2.5 | C 1 2/c 1 | 21.457; 5.787; 29.727 90; 98.372; 90 | 3652 | Li, Yan; Wang, Xia; Zhang, Jinming; Deuther-Conrad, Winnie; Xie, Fang; Zhang, Xiaojun; Liu, Jian; Qiao, Jinping; Cui, Mengchao; Steinbach, Jörg; Brust, Peter; Liu, Boli; Jia, Hongmei Synthesis and evaluation of novel (18)F-labeled spirocyclic piperidine derivatives as σ1 receptor ligands for positron emission tomography imaging. Journal of medicinal chemistry, 2013, 56, 3478-3491 |
1511779 | CIF | C21 H26 F2 O4 | P 1 21/c 1 | 20.784; 10.63; 8.5364 90; 90.131; 90 | 1886 | Han, Changho; Salyer, Amy E.; Kim, Eun Hoo; Jiang, Xinyi; Jarrard, Rachel E.; Powers, Matthew S.; Kirchhoff, Aaron M.; Salvador, Tolani K.; Chester, Julia A.; Hockerman, Gregory H.; Colby, David A. Evaluation of Difluoromethyl Ketones as Agonists of the γ-Aminobutyric Acid Type B (GABAB) Receptor. Journal of medicinal chemistry, 2013, 56, 2456-2465 |
1508918 | CIF | C14 H24 Cu N6 S2 | P -1 | 7.58; 12.83; 18.298 98.489; 99.605; 91.102 | 1733.6 | Palanimuthu, Duraippandi; Shinde, Sridevi Vijay; Somasundaram, Kumaravel; Samuelson, Ashoka G. In Vitro and in Vivo Anticancer Activity of Copper Bis(thiosemicarbazone) Complexes. Journal of medicinal chemistry, 2013, 56, 722-734 |
1508917 | CIF | C49 H54 Cl2 Cu2 N12 S4 | P 1 21/c 1 | 15.1825; 11.7338; 29.6982 90; 100.534; 90 | 5201.5 | Palanimuthu, Duraippandi; Shinde, Sridevi Vijay; Somasundaram, Kumaravel; Samuelson, Ashoka G. In Vitro and in Vivo Anticancer Activity of Copper Bis(thiosemicarbazone) Complexes. Journal of medicinal chemistry, 2013, 56, 722-734 |
1508916 | CIF | C18 H18 Cu N6 S2 | P b c n | 31.372; 7.5677; 7.9918 90; 90; 90 | 1897.4 | Palanimuthu, Duraippandi; Shinde, Sridevi Vijay; Somasundaram, Kumaravel; Samuelson, Ashoka G. In Vitro and in Vivo Anticancer Activity of Copper Bis(thiosemicarbazone) Complexes. Journal of medicinal chemistry, 2013, 56, 722-734 |
1508820 | CIF | C12 H22 Cl2 N2 O8 Pt | P -1 | 8.2185; 10.0375; 12.4165 67.002; 71.136; 84.577 | 891.63 | Varbanov, Hristo P.; Jakupec, Michael A.; Roller, Alexander; Jensen, Frank; Galanski, Markus; Keppler, Bernhard K. Theoretical Investigations and Density Functional Theory Based Quantitative Structure-Activity Relationships Model for Novel Cytotoxic Platinum(IV) Complexes. Journal of medicinal chemistry, 2013, 56, 330-344 |
1508520 | CIF | C7 H17 Cl2 F3 N2 O4 Pt | P -1 | 6.1836; 8.0658; 15.5374 102.217; 92.75; 108.655 | 711.98 | Pichler, Verena; Heffeter, Petra; Valiahdi, Seied M.; Kowol, Christian R.; Egger, Alexander; Berger, Walter; Jakupec, Michael A.; Galanski, Markus; Keppler, Bernhard K. Unsymmetric Mono- and Dinuclear Platinum(IV) Complexes Featuring an Ethylene Glycol Moiety: Synthesis, Characterization, and Biological Activity. Journal of medicinal chemistry, 2012, 55, 11052-11061 |
1508519 | CIF | C25 H26 Fe N2 O2 | P c a 21 | 19.7267; 5.7377; 36.268 90; 90; 90 | 4105 | Patra, Malay; Ingram, Katrin; Pierroz, Vanessa; Ferrari, Stefano; Spingler, Bernhard; Keiser, Jennifer; Gasser, Gilles Ferrocenyl derivatives of the anthelmintic praziquantel: design, synthesis, and biological evaluation. Journal of medicinal chemistry, 2012, 55, 8790-8798 |
1508518 | CIF | C23 H24 Fe N2 O | P -1 | 7.455; 10.3389; 13.2992 72.296; 81.3454; 78.354 | 952.04 | Patra, Malay; Ingram, Katrin; Pierroz, Vanessa; Ferrari, Stefano; Spingler, Bernhard; Keiser, Jennifer; Gasser, Gilles Ferrocenyl derivatives of the anthelmintic praziquantel: design, synthesis, and biological evaluation. Journal of medicinal chemistry, 2012, 55, 8790-8798 |
1508517 | CIF | C23 H22 Fe N2 O2 | P 1 21/c 1 | 22.584; 7.59176; 10.5047 90; 92.039; 90 | 1799.91 | Patra, Malay; Ingram, Katrin; Pierroz, Vanessa; Ferrari, Stefano; Spingler, Bernhard; Keiser, Jennifer; Gasser, Gilles Ferrocenyl derivatives of the anthelmintic praziquantel: design, synthesis, and biological evaluation. Journal of medicinal chemistry, 2012, 55, 8790-8798 |
1508516 | CIF | C22 H20 Cu N2 O2 | P -1 | 9.242; 10.288; 14.494 77.219; 84.291; 80.289 | 1321.9 | Tardito, Saverio; Barilli, Amelia; Bassanetti, Irene; Tegoni, Matteo; Bussolati, Ovidio; Franchi-Gazzola, Renata; Mucchino, Claudio; Marchi uciano Copper-dependent cytotoxicity of 8-hydroxyquinoline derivatives correlates with their hydrophobicity and does not require caspase activation. Journal of medicinal chemistry, 2012, 55, 10448-10459 |
1508515 | CIF | C10.5 H17 Cl2 N2 O4.5 Pt | P 1 21/c 1 | 13.66; 9.867; 23.937 90; 98.52; 90 | 3190.7 | Chin, Chee Fei; Tian, Quan; Setyawati, Magdiel Inggrid; Fang, Wanru; Tan, Emelyn Sue Qing; Leong, David Tai; Ang, Wee Han Tuning the activity of platinum(IV) anticancer complexes through asymmetric acylation. Journal of medicinal chemistry, 2012, 55, 7571-7582 |
1508253 | CIF | C18 H27 F2 N O5 | C 1 2 1 | 13.6384; 7.1514; 19.5985 90; 101.048; 90 | 1876.09 | Yu, Wenquan; Gill, Tina; Wang, Lijuan; Du, Yanming; Ye, Hong; Qu, Xiaowang; Guo, Ju-Tao; Cuconati, Andrea; Zhao, Kang; Block, Timothy M.; Xu, Xiaodong; Chang, Jinhong Design, Synthesis, and Biological Evaluation of N-Alkylated Deoxynojirimycin (DNJ) Derivatives for the Treatment of Dengue Virus Infection. Journal of medicinal chemistry, 2012, 55, 6061-6075 |
1507789 | CIF | C10 H12 F3 N3 O5 Pt | P 1 21/c 1 | 18.336; 7.1871; 10.8106 90; 100.556; 90 | 1400.5 | Wilson, Justin J.; Lippard, Stephen J. In Vitro Anticancer Activity of cis-Diammineplatinum(II) Complexes with β-Diketonate Leaving Group Ligands. Journal of medicinal chemistry, 2012, 55, 5326-5336 |
1507788 | CIF | C10 H15 N3 O5 Pt | P c a 21 | 9.4898; 15.218; 8.9436 90; 90; 90 | 1291.6 | Wilson, Justin J.; Lippard, Stephen J. In Vitro Anticancer Activity of cis-Diammineplatinum(II) Complexes with β-Diketonate Leaving Group Ligands. Journal of medicinal chemistry, 2012, 55, 5326-5336 |
1507656 | CIF | C9 H11 N O Se | P 1 21/n 1 | 9.598; 8.166; 12.75 90; 103.19; 90 | 972.9 | Gutiérrez-Hernández, Alejandro I; López-Cortés, José G; Ortega-Alfaro, M Carmen; Ramírez-Apan, M Teresa; Cázares-Marinero, José de Jesús; Toscano, Rubén A Ferrocenylselenoamides: synthesis, characterization and cytotoxic properties. Journal of medicinal chemistry, 2012, 55, 4652-4663 |
1507655 | CIF | C13 H15 Fe N O Se | C 1 2/c 1 | 17.983; 7.4102; 19.235 90; 93.649; 90 | 2558 | Gutiérrez-Hernández, Alejandro I; López-Cortés, José G; Ortega-Alfaro, M Carmen; Ramírez-Apan, M Teresa; Cázares-Marinero, José de Jesús; Toscano, Rubén A Ferrocenylselenoamides: synthesis, characterization and cytotoxic properties. Journal of medicinal chemistry, 2012, 55, 4652-4663 |
1507499 | CIF | C12 H13 Br Cl N3 S | P 1 21/c 1 | 21.335; 9.315; 14.491 90; 102.995; 90 | 2806.12 | Schröder, Jörg; Henke, Andreas; Wenzel, Herbert; Brandstetter, Hans; Stammler, Hans G.; Stammler, Anja; Pfeiffer, Wolf D.; Tschesche, Harald Structure-Based Design and Synthesis of Potent Matrix Metalloproteinase Inhibitors Derived from a 6H-1,3,4-Thiadiazine Scaffold Journal of Medicinal Chemistry, 2001, 44, 3231 |
1506804 | CIF | C19 H27 F N2 O3 | P 21 21 21 | 9.907; 10.077; 19.678 90; 90; 90 | 1964.51 | Saitton, Stina; Del Tredici, Andria L.; Mohell, Nina; Vollinga, Roeland C.; Boström, Dan; Kihlberg, Jan; Luthman, Kristina Design, synthesis and evaluation of a PLG tripeptidomimetic based on a pyridine scaffold. Journal of medicinal chemistry, 2004, 47, 6595-6602 |
1506359 | CIF | C57 H58 N2 O22 | P 31 | 15.6681; 15.6681; 17.4559 90; 90; 120 | 3711.12 | Post, Glen C.; Barthel, Benjamin L.; Burkhart, David J.; Hagadorn, John R.; Koch, Tad H. Doxazolidine, a proposed active metabolite of doxorubicin that cross-links DNA. Journal of medicinal chemistry, 2005, 48, 7648-7657 |
1506358 | CIF | C20 H24 Cl2 N2 O9 Pt | P -1 | 8.9038; 12.4327; 12.8543 62.59; 82.906; 72.039 | 1201.4 | Ang, Wee Han; Pilet, Sébastien; Scopelliti, Rosario; Bussy, François; Juillerat-Jeanneret, Lucienne; Dyson, Paul J. Synthesis and characterization of platinum(IV) anticancer drugs with functionalized aromatic carboxylate ligands: influence of the ligands on drug efficacies and uptake. Journal of medicinal chemistry, 2005, 48, 8060-8069 |
1506357 | CIF | C24 H30 Cl2 N4 O6 Pt | P -1 | 7.8196; 12.2969; 16.4366 81.492; 77.063; 88.498 | 1523.4 | Ang, Wee Han; Pilet, Sébastien; Scopelliti, Rosario; Bussy, François; Juillerat-Jeanneret, Lucienne; Dyson, Paul J. Synthesis and characterization of platinum(IV) anticancer drugs with functionalized aromatic carboxylate ligands: influence of the ligands on drug efficacies and uptake. Journal of medicinal chemistry, 2005, 48, 8060-8069 |
1506356 | CIF | C26 H36 Cl2 N2 O6 Pt | I 1 2/a 1 | 23.951; 7.8455; 32.732 90; 110.353; 90 | 5766.6 | Ang, Wee Han; Pilet, Sébastien; Scopelliti, Rosario; Bussy, François; Juillerat-Jeanneret, Lucienne; Dyson, Paul J. Synthesis and characterization of platinum(IV) anticancer drugs with functionalized aromatic carboxylate ligands: influence of the ligands on drug efficacies and uptake. Journal of medicinal chemistry, 2005, 48, 8060-8069 |
1506355 | CIF | C22 H32 Cl2 N2 O6 Pt | P 1 21/c 1 | 7.7485; 18.294; 18.356 90; 92.129; 90 | 2600.2 | Ang, Wee Han; Pilet, Sébastien; Scopelliti, Rosario; Bussy, François; Juillerat-Jeanneret, Lucienne; Dyson, Paul J. Synthesis and characterization of platinum(IV) anticancer drugs with functionalized aromatic carboxylate ligands: influence of the ligands on drug efficacies and uptake. Journal of medicinal chemistry, 2005, 48, 8060-8069 |
1506354 | CIF | C9 H8 I N O2 | P 1 21/c 1 | 4.1515; 16.0162; 14.1406 90; 97.411; 90 | 932.37 | Deng, Bo-Liang; Hartman, Tracy L.; Buckheit, Jr, Robert W; Pannecouque, Christophe; De Clercq, Erik; Fanwick, Phillip E.; Cushman, Mark Synthesis, anti-HIV activity, and metabolic stability of new alkenyldiarylmethane HIV-1 non-nucleoside reverse transcriptase inhibitors. Journal of medicinal chemistry, 2005, 48, 6140-6155 |
1506353 | CIF | C23 H21 F4 N O4 | P -1 | 8.8822; 9.7444; 12.9675 76.306; 72.48; 89.873 | 1036.98 | Deng, Bo-Liang; Hartman, Tracy L.; Buckheit, Jr, Robert W; Pannecouque, Christophe; De Clercq, Erik; Fanwick, Phillip E.; Cushman, Mark Synthesis, anti-HIV activity, and metabolic stability of new alkenyldiarylmethane HIV-1 non-nucleoside reverse transcriptase inhibitors. Journal of medicinal chemistry, 2005, 48, 6140-6155 |
1506352 | CIF | C28 H38 N O6 P | P 1 | 6.413; 13.141; 17.092 82.02; 86.3; 76.29 | 1385.1 | Albert, Rainer; Hinterding, Klaus; Brinkmann, Volker; Guerini, Danilo; Müller-Hartwieg, Constanze; Knecht, Helmut; Simeon, Corinne; Streiff, Markus; Wagner, Trixie; Welzenbach, Karl; Zécri, Frédéric; Zollinger, Markus; Cooke, Nigel; Francotte, Eric Novel immunomodulator FTY720 is phosphorylated in rats and humans to form a single stereoisomer. Identification, chemical proof, and biological characterization of the biologically active species and its enantiomer. Journal of medicinal chemistry, 2005, 48, 5373-5377 |
1506351 | CIF | C41 H60 Co2 Fe N22 O17 S4 | P -1 | 15.278; 13.533; 7.977 84.4; 76.78; 77.22 | 1563.9 | Belicchi-Ferrari, Marisa; Bisceglie, Franco; Casoli, Claudio; Durot, Stéphanie; Morgenstern-Badarau, Irène; Pelosi, Giorgio; Pilotti, Elisabetta; Pinelli, Silvana; Tarasconi, Pieralberto Copper(II) and cobalt(III) pyridoxal thiosemicarbazone complexes with nitroprusside as counterion: syntheses, electronic properties, and antileukemic activity. Journal of medicinal chemistry, 2005, 48, 1671-1675 |
1506350 | CIF | C23 H34 Cu2 Fe N14 O11 S2 | P 1 21/n 1 | 13.946; 7.163; 18.389 90; 93.37; 90 | 1833.8 | Belicchi-Ferrari, Marisa; Bisceglie, Franco; Casoli, Claudio; Durot, Stéphanie; Morgenstern-Badarau, Irène; Pelosi, Giorgio; Pilotti, Elisabetta; Pinelli, Silvana; Tarasconi, Pieralberto Copper(II) and cobalt(III) pyridoxal thiosemicarbazone complexes with nitroprusside as counterion: syntheses, electronic properties, and antileukemic activity. Journal of medicinal chemistry, 2005, 48, 1671-1675 |
1506349 | CIF | C14 H16 Cu Fe N10 O5 S | P 1 21/n 1 | 13.157; 13.641; 14.205 90; 115.98; 90 | 2291.8 | Belicchi-Ferrari, Marisa; Bisceglie, Franco; Casoli, Claudio; Durot, Stéphanie; Morgenstern-Badarau, Irène; Pelosi, Giorgio; Pilotti, Elisabetta; Pinelli, Silvana; Tarasconi, Pieralberto Copper(II) and cobalt(III) pyridoxal thiosemicarbazone complexes with nitroprusside as counterion: syntheses, electronic properties, and antileukemic activity. Journal of medicinal chemistry, 2005, 48, 1671-1675 |
1506348 | CIF | C21 H28 O2 S | P 21 21 21 | 11.153; 12.65; 12.94 90; 90; 90 | 1825.6 | Veleiro, Adriana S.; Pecci, Adali; Monteserín, María C; Baggio, Ricardo; Garland, María T; Lantos, Carlos P.; Burton, Gerardo 6,19-Sulfur-bridged progesterone analogues with antiimmunosuppressive activity. Journal of medicinal chemistry, 2005, 48, 5675-5683 |
1506347 | CIF | C21 H28 O3 | P 21 21 21 | 10.405; 16.508; 20.85 90; 90; 90 | 3581.3 | Veleiro, Adriana S.; Pecci, Adali; Monteserín, María C; Baggio, Ricardo; Garland, María T; Lantos, Carlos P.; Burton, Gerardo 6,19-Sulfur-bridged progesterone analogues with antiimmunosuppressive activity. Journal of medicinal chemistry, 2005, 48, 5675-5683 |
1506346 | CIF | C34 H36 Cl2 N8 O2 Ru | P -1 | 10.891; 13.279; 14.399 65.66; 69.04; 68.36 | 1710.8 | Jakupec, Michael A.; Reisner, Erwin; Eichinger, Anna; Pongratz, Martina; Arion, Vladimir B.; Galanski, Markus; Hartinger, Christian G.; Keppler, Bernhard K. Redox-active antineoplastic ruthenium complexes with indazole: correlation of in vitro potency and reduction potential. Journal of medicinal chemistry, 2005, 48, 2831-2837 |
1506345 | CIF | C30 H32 Cl3 N8 O2 Ru | C 1 c 1 | 17.681; 11.082; 16.738 90; 102.46; 90 | 3202.4 | Jakupec, Michael A.; Reisner, Erwin; Eichinger, Anna; Pongratz, Martina; Arion, Vladimir B.; Galanski, Markus; Hartinger, Christian G.; Keppler, Bernhard K. Redox-active antineoplastic ruthenium complexes with indazole: correlation of in vitro potency and reduction potential. Journal of medicinal chemistry, 2005, 48, 2831-2837 |
1506344 | CIF | C19 H29 N O5 | P 1 21 1 | 6.866; 19.559; 7.04 90; 97.132; 90 | 938.1 | Simoni, Daniele; Rossi, Marcello; Bertolasi, Valerio; Roberti, Marinella; Pizzirani, Daniela; Rondanin, Riccardo; Baruchello, Riccardo; Invidiata, Francesco Paolo; Tolomeo, Manlio; Grimaudo, Stefania; Merighi, Stefania; Varani, Katia; Gessi, Stefania; Borea, Pier Andrea; Marino, Silvia; Cavallini, Sabrina; Bianchi, Clementina; Siniscalchi, Anna Synthesis and pharmacology of 6-substituted benztropines: discovery of novel dopamine uptake inhibitors possessing low binding affinity to the dopamine transporter. Journal of medicinal chemistry, 2005, 48, 3337-3343 |
1505687 | CIF | C36 H34 B Cl N4 Ru | P 1 21/n 1 | 13.3895; 12.5339; 18.671 90; 104.039; 90 | 3039.8 | Vock, Carsten A.; Scolaro, Claudine; Phillips, Andrew D.; Scopelliti, Rosario; Sava, Gianni; Dyson, Paul J. Synthesis, characterization, and in vitro evaluation of novel ruthenium(II) eta6-arene imidazole complexes. Journal of medicinal chemistry, 2006, 49, 5552-5561 |
1505686 | CIF | C34 H52 Cl4 N4 Ru2 | P -1 | 12.4321; 12.9605; 13.0867 90.149; 117.791; 90.948 | 1865 | Vock, Carsten A.; Scolaro, Claudine; Phillips, Andrew D.; Scopelliti, Rosario; Sava, Gianni; Dyson, Paul J. Synthesis, characterization, and in vitro evaluation of novel ruthenium(II) eta6-arene imidazole complexes. Journal of medicinal chemistry, 2006, 49, 5552-5561 |
1505685 | CIF | C18 H24 B2 F8 N6 Ru | P 1 21/c 1 | 8.4268; 13.5307; 19.9593 90; 91.305; 90 | 2275.2 | Vock, Carsten A.; Scolaro, Claudine; Phillips, Andrew D.; Scopelliti, Rosario; Sava, Gianni; Dyson, Paul J. Synthesis, characterization, and in vitro evaluation of novel ruthenium(II) eta6-arene imidazole complexes. Journal of medicinal chemistry, 2006, 49, 5552-5561 |
1505684 | CIF | C24 H38 Cl2 N4 Ru | P -1 | 8.563; 13.044; 13.243 110.87; 98.93; 95.91 | 1345.2 | Vock, Carsten A.; Scolaro, Claudine; Phillips, Andrew D.; Scopelliti, Rosario; Sava, Gianni; Dyson, Paul J. Synthesis, characterization, and in vitro evaluation of novel ruthenium(II) eta6-arene imidazole complexes. Journal of medicinal chemistry, 2006, 49, 5552-5561 |
1505683 | CIF | C18 H28 Cl2 N4 O Ru | P -1 | 7.8903; 9.5995; 14.1039 78.964; 87.859; 86.905 | 1046.59 | Vock, Carsten A.; Scolaro, Claudine; Phillips, Andrew D.; Scopelliti, Rosario; Sava, Gianni; Dyson, Paul J. Synthesis, characterization, and in vitro evaluation of novel ruthenium(II) eta6-arene imidazole complexes. Journal of medicinal chemistry, 2006, 49, 5552-5561 |
1505682 | CIF | C27 H25 Au N O5 P S | P -1 | 10.218; 12.489; 12.62 106.208; 112.512; 104.97 | 1302 | Gunatilleke, Shamila S.; Barrios, Amy M. Inhibition of lysosomal cysteine proteases by a series of Au(I) complexes: a detailed mechanistic investigation. Journal of medicinal chemistry, 2006, 49, 3933-3937 |
1505681 | CIF | C45 H58 Br2 N2 O15 | P 21 21 21 | 11.054; 20.276; 21.194 90; 90; 90 | 4750 | Jiang, Yi; Alcaraz, Ana A.; Chen, Jian-Min; Kobayashi, Hisayoshi; Lu, Yang J.; Snyder, James P. Diastereomers of dibromo-7-epi-10-deacetylcephalomannine: crowded and cytotoxic taxanes exhibit halogen bonds. Journal of medicinal chemistry, 2006, 49, 1891-1899 |
1505680 | CIF | C23 H30 O7 | P 1 21 1 | 8.8996; 12.0769; 10.5206 90; 90.695; 90 | 1130.67 | Luo, Weiming; Yu, Qian-Sheng; Kulkarni, Santosh S.; Parrish, Damon A.; Holloway, Harold W.; Tweedie, David; Shafferman, Avigdor; Lahiri, Debomoy K.; Brossi, Arnold; Greig, Nigel H. Inhibition of human acetyl- and butyrylcholinesterase by novel carbamates of (-)- and (+)-tetrahydrofurobenzofuran and methanobenzodioxepine. Journal of medicinal chemistry, 2006, 49, 2174-2185 |
1505044 | CIF | C36 H45 Cl2 N5 O5 Ru | P 1 21/c 1 | 10.771; 25.04; 13.238 90; 91.84; 90 | 3568.5 | Schmid, Wolfgang F.; John, Roland O.; Mühlgassner, Gerhard; Heffeter, Petra; Jakupec, Michael A.; Galanski, Markus; Berger, Walter; Arion, Vladimir B.; Keppler, Bernhard K. Metal-based paullones as putative CDK inhibitors for antitumor chemotherapy. Journal of medicinal chemistry, 2007, 50, 6343-6355 |
1505043 | CIF | C32 H32.5 Cl2 N4 O0.25 Os | P -1 | 13.958; 14.0949; 18.3531 96.749; 108.022; 102.05 | 3292.9 | Schmid, Wolfgang F.; John, Roland O.; Mühlgassner, Gerhard; Heffeter, Petra; Jakupec, Michael A.; Galanski, Markus; Berger, Walter; Arion, Vladimir B.; Keppler, Bernhard K. Metal-based paullones as putative CDK inhibitors for antitumor chemotherapy. Journal of medicinal chemistry, 2007, 50, 6343-6355 |
1505042 | CIF | C35.9 H42.95 Cl2 N5 O4.08 Os | P -1 | 12.2836; 12.6756; 14.2592 95.491; 107.998; 118.072 | 1784.59 | Schmid, Wolfgang F.; John, Roland O.; Mühlgassner, Gerhard; Heffeter, Petra; Jakupec, Michael A.; Galanski, Markus; Berger, Walter; Arion, Vladimir B.; Keppler, Bernhard K. Metal-based paullones as putative CDK inhibitors for antitumor chemotherapy. Journal of medicinal chemistry, 2007, 50, 6343-6355 |
1505041 | CIF | C130 H133 Br4 Cl8 N16 O3.5 Os4 | P -1 | 13.8319; 14.1376; 18.3912 98.511; 107.338; 102.012 | 3271.8 | Schmid, Wolfgang F.; John, Roland O.; Mühlgassner, Gerhard; Heffeter, Petra; Jakupec, Michael A.; Galanski, Markus; Berger, Walter; Arion, Vladimir B.; Keppler, Bernhard K. Metal-based paullones as putative CDK inhibitors for antitumor chemotherapy. Journal of medicinal chemistry, 2007, 50, 6343-6355 |
1505040 | CIF | C35 H36 Cl2 N4 O2 Os | P 1 c 1 | 9.876; 9.6263; 17.46 90; 104.32; 90 | 1608.3 | Schmid, Wolfgang F.; John, Roland O.; Mühlgassner, Gerhard; Heffeter, Petra; Jakupec, Michael A.; Galanski, Markus; Berger, Walter; Arion, Vladimir B.; Keppler, Bernhard K. Metal-based paullones as putative CDK inhibitors for antitumor chemotherapy. Journal of medicinal chemistry, 2007, 50, 6343-6355 |
1505039 | CIF | C36 H43 Cl2 N5 O4 Ru | P -1 | 12.2485; 12.6418; 14.3132 95.421; 108.122; 118.054 | 1780.65 | Schmid, Wolfgang F.; John, Roland O.; Mühlgassner, Gerhard; Heffeter, Petra; Jakupec, Michael A.; Galanski, Markus; Berger, Walter; Arion, Vladimir B.; Keppler, Bernhard K. Metal-based paullones as putative CDK inhibitors for antitumor chemotherapy. Journal of medicinal chemistry, 2007, 50, 6343-6355 |
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