Crystallography Open Database

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Searching journal of publication like 'Journal of Medicinal Chemistry'

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1564530 CIFC40 H59 N O5P 43 21 223.7717; 23.7717; 14.8492
90; 90; 90
8391.2Yun, 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 CIFC21 H21 Cl2 N3 O4P 1 21 112.9023; 12.742; 18.9596
90; 103.842; 90
3026.5Tan, 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 CIFC20.33333 H16.33333 Cl3 F3 N3 O2P 1 21/c 121.8663; 13.134; 23.2675
90; 94.217; 90
6664.1Tan, 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 CIFC20 H17 Cl2 N3 O3P 1 21/n 110.138; 14.487; 25.836
90; 96.065; 90
3773Tan, 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 CIFC24 H22 Cl5 N3 O3P -19.9578; 11.0634; 12.0224
82.132; 78.467; 81.112
1274.4Tan, 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 CIFC21 H17 Cl2 N3 O2C 1 2/c 119.6265; 12.6274; 17.4555
90; 120.196; 90
3739Tan, 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 CIFC68 H100 F4 N6 O21 S4C 1 2 132.412; 6.476; 23.549
90; 132.313; 90
3655Zhang, 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 CIFC26 H22 Br3 Cu3 N8 S4C 1 2/c 110.7395; 16.0006; 18.9882
90; 96.286; 90
3243.3Gou, 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 CIFC26 H22 Cu2 N10 O6 S4P -17.9731; 9.8264; 10.9176
76.501; 85.908; 73.399
797.05Gou, 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 CIFC13 H11 Cl Cu N4 S2P -18.6462; 9.7989; 10.1011
68.887; 71.065; 82.137
755Gou, 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 CIFC23 H28 F N5 O2P -19.8391; 11.1859; 11.8823
72.632; 89.776; 64.843
1118.23Huestis, 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 CIFC23 H27 F2 N5 O2C 1 2 136.459; 8.6753; 13.8617
90; 98.333; 90
4338.1Huestis, 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 CIFC32 H30 N8 O S2 ZnP 1 21/c 110.3073; 29.5898; 9.8383
90; 90.5116; 90
3000.5Gilleran, 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 CIFC23 H28.5 Cl1.5 N8 O0.25 S2 ZnC 1 2/c 114.257; 11.4474; 17.156
90; 108.496; 90
2655.3Gilleran, 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 CIFC13 H18 O2P 1 21/c 114.465; 7.815; 10.435
90; 99.66; 90
1162.9Kleemiss, 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 CIFC12 H18 O2 SiP 1 21/c 114.814; 7.972; 10.798
90; 100.7; 90
1253Kleemiss, 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 CIFC37 H29 N5 O5P 21 21 219.05425; 14.2458; 22.2227
90; 90; 90
2866.4Wang, 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 CIFC29 H28 N4 O6P 1 21 115.4258; 8.2007; 20.1539
90; 98.481; 90
2521.64Wang, 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 CIFC31 H28 N4 O5R 3 :H24.2245; 24.2245; 12.4413
90; 90; 120
6322.8Wang, 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 CIFC32 H26 N4 O5.5P -110.6126; 11.4102; 13.3071
95.819; 112.387; 111.273
1333.67Wang, 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

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