Crystallography Open Database
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Result: there are 271 entries in the selection
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Searching journal of publication like 'Journal of medicinal chemistry'
COD ID  |
Links | Formula |
Space group  |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1502666 | CIF | C19 H28 B10 O | C 1 2 1 | 24.701; 6.5249; 18.081 90; 131.621; 90 | 2178.5 | Beer, Michael L.; Lemon, Jennifer; Valliant, John F. Preparation and evaluation of carborane analogues of tamoxifen. Journal of medicinal chemistry, 2010, 53, 8012-8020 |
| 1504341 | CIF | C21 H34 N2 O3 | C 1 2 1 | 19.155; 5.871; 19.432 90; 96.031; 90 | 2173.2 | Gomtsyan, Arthur; Bayburt, Erol K.; Schmidt, Robert G.; Surowy, Carol S.; Honore, Prisca; Marsh, Kennan C.; Hannick, Steven M.; McDonald, Heath A.; Wetter, Jill M.; Sullivan, James P.; Jarvis, Michael F.; Faltynek, Connie R.; Lee, Chih-Hung Identification of (R)-1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea (ABT-102) as a potent TRPV1 antagonist for pain management. Journal of medicinal chemistry, 2008, 51, 392-395 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 1502663 | CIF | C36 H28 N14 Ni O4 | C 1 2/c 1 | 13.226; 15.714; 16.609 90; 90.107; 90 | 3451.9 | Maldonado, Carmen R.; Marín, Clotilde; Olmo, Francisco; Huertas, Oscar; Quirós, Miguel; Sánchez-Moreno, Manuel; Rosales, María J; Salas, Juan M. In vitro and in vivo trypanocidal evaluation of nickel complexes with an azapurine derivative against Trypanosoma cruzi. Journal of medicinal chemistry, 2010, 53, 6964-6972 |
| 1502671 | CIF | C22 H21 N3 O4 | C 1 2/c 1 | 17.16; 8.241; 28.64 90; 105.34; 90 | 3905.8 | Zhu, Mingyan; Kim, Myung Hee; Lee, Sanghee; Bae, Su Jung; Kim, Seong Hwan; Park, Seung Bum Discovery of novel benzopyranyl tetracycles that act as inhibitors of osteoclastogenesis induced by receptor activator of NF-κB ligand. Journal of medicinal chemistry, 2010, 53, 8760-8764 |
| 1502673 | CIF | C19 H27 N4 O2.5 | C 1 2/c 1 | 13.2127; 14.571; 37.9181 90; 94.572; 90 | 7276.8 | Vernekar, Sanjeev Kumar V.; Hallaq, Hasan Y.; Clarkson, Guy; Thompson, Andrew J.; Silvestri, Linda; Lummis, Sarah C. R.; Lochner, Martin Toward biophysical probes for the 5-HT3 receptor: structure-activity relationship study of granisetron derivatives. Journal of medicinal chemistry, 2010, 53, 2324-2328 |
| 1503673 | CIF | C28 H46 Fe2 N22 O13 S4 | C 1 2/c 1 | 9.2033; 23.0998; 21.2104 90; 92.473; 90 | 4505 | Kowol, Christian R.; Trondl, Robert; Heffeter, Petra; Arion, Vladimir B.; Jakupec, Michael A.; Roller, Alexander; Galanski, Markus; Berger, Walter; Keppler, Bernhard K. Impact of metal coordination on cytotoxicity of 3-aminopyridine-2-carboxaldehyde thiosemicarbazone (triapine) and novel insights into terminal dimethylation. Journal of medicinal chemistry, 2009, 52, 5032-5043 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
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