Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.2c00008
C10714028
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10 Apr 14:46
[ASAP] Discovery of Thieno[2,3‑e]indazole Derivatives as Novel Oral Selective Estrogen Receptor Degraders with Highly Improved Antitumor Effect and Favorable Druggability
by Zhengyu Lu, Yangzhi Cao, Dan Zhang, Xin Meng, Bin Guo, Deyu Kong, and Yushe Yang
C10714028soft spot: phenolic hydroxyl which is also the problem of Mirati's Kras inhibitor.
CSU likes this
30 Jun 16:05
[ASAP] Discovery of Potent 2-Aryl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design
by Feng Wang, Kyu Ok Jeon, James M. Salovich, Jonathan D. Macdonald, Joseph Alvarado, Rocco D. Gogliotti, Jason Phan, Edward T. Olejniczak, Qi Sun, Shidong Wang, DeMarco Camper, Joannes P. Yuh, J. Grace Shaw, Jiqing Sai, Olivia W. Rossanese, William P. Tansey, Shaun R. Stauffer, Stephen W. Fesik
C10714028conformation constrain
Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.8b00375
C10714028 likes this
20 May 21:44
[ASAP] N-(7-Cyano-6-(4-fluoro-3-(2-(3-(trifluoromethyl)phenyl)acetamido)phenoxy)benzo[d]thiazol-2-yl)cyclopropanecarboxamide (TAK632) Promotes Inhibition of BRAF through the Induction of Inhibited Dimers
by Michael Grasso, Michelle A. Estrada, Kiara N. Berrios, Jeffrey D. Winkler, Ronen Marmorstein
C10714028B-Raf dimerize
Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.8b00499
C10714028 likes this
11 May 14:18
[ASAP] Ligand Desolvation Steers On-Rate and Impacts Drug Residence Time of Heat Shock Protein 90 (Hsp90) Inhibitors
by Doris A. Schuetz, Lars Richter, Marta Amaral, Melanie Grandits, Ulrich Grädler, Djordje Musil, Hans-Peter Buchstaller, Hans-Michael Eggenweiler, Matthias Frech, Gerhard F. Ecker
C10714028Kon Koff
Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.8b00080
C10714028 likes this
09 Dec 20:44
Allosteric Inhibitors of SHP2 with Therapeutic Potential for Cancer Treatment
by Jingjing Xie, Xiaojia Si, Shoulai Gu, Mingliang Wang, Jian Shen, Haoyan Li, Jian Shen, Dan Li, Yanjia Fang, Cong Liu and Jidong Zhu
C10714028reading carefully
Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.7b01520
12 Nov 03:05
Identification of 4-Phenoxyquinoline Based Inhibitors for L1196M Mutant of Anaplastic Lymphoma Kinase by Structure-Based Design
by Shinmee Mah, Jung Hee Park, Hoi-Yun Jung, Kukcheol Ahn, Soyeon Choi, Hyun Seop Tae, Kyung Hee Jung, Jin Kyung Rho, Jae Cheol Lee, Soon-Sun Hong and Sungwoo Hong
Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.7b01039
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26 Oct 02:01
Inhibitors to Overcome Secondary Mutations in the Stem Cell Factor Receptor KIT
by Helena Kaitsiotou, Marina Keul, Julia Hardick, Thomas Mühlenberg, Julia Ketzer, Christiane Ehrt, Jasmin Krüll, Federico Medda, Oliver Koch, Fabrizio Giordanetto, Sebastian Bauer and Daniel Rauh
C10714028都被玩坏了的结构还能发JMC，牛！！！
Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.7b00841
C10714028 likes this
18 Oct 18:23
Structure–Activity Relationship Studies with Tetrahydroquinoline Analogs as EPAC Inhibitors
by Yogesh A. Sonawane, Yingmin Zhu, Jered C. Garrison, Edward L. Ezell, Muhammad Zahid, Xiaodong Cheng and Amarnath Natarajan
C10714028check it
ACS Medicinal Chemistry Letters
DOI: 10.1021/acsmedchemlett.7b00358
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10 Oct 03:11
Structural Biology-Inspired Discovery of Novel KRAS–PDEδ Inhibitors
by Yan Jiang, Chunlin Zhuang, Long Chen, Junjie Lu, Guoqiang Dong, Zhenyuan Miao, Wannian Zhang, Jian Li and Chunquan Sheng
C10714028看下
Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.7b01243
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10 Oct 03:10
Inhibition of Calcium Dependent Protein Kinase 1 (CDPK1) by Pyrazolopyrimidine Analogs Decreases Establishment and Reoccurrence of Central Nervous System Disease by Toxoplasma gondii
by Florentine U. Rutaganira, Jennifer Barks, Mary Savari Dhason, Qiuling Wang, Michael S. Lopez, Shaojun Long, Joshua B. Radke, Nathaniel G. Jones, Amarendar R. Maddirala, James W. Janetka, Majida El Bakkouri, Raymond Hui, Kevan M. Shokat and L. David Sibley
C10714028看下
Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.7b01192
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09 Sep 04:25
Natural-Products-Inspired Use of the gem-Dimethyl Group in Medicinal Chemistry
by Tanaji T. Talele
Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.7b00315
05 Sep 03:37
Causes and Significance of Increased Compound Potency in Cellular or Physiological Contexts
by Adam G. Schwaid and Ivan Cornella-Taracido
C10714028cellular potency is better than kinase activity
Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.7b00762
C10714028 likes this
11 Aug 22:18
The Current State of Peptide Drug Discovery: Back to the Future?
by Antoine Henninot, James C. Collins and John M. Nuss
Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.7b00318
C10714028, M. L. Lepage and -1 others like this
19 Jun 13:50
P450-Mediated Non-natural Cyclopropanation of Dehydroalanine-Containing Thiopeptides
by Joshua G. Gober, Swapnil V. Ghodge, Jonathan W. Bogart, Walter J. Wever, Richard R. Watkins, Eric M. Brustad and Albert A. Bowers
C10714028双键和环丙基
ACS Chemical Biology
DOI: 10.1021/acschembio.7b00358
19 Jun 13:45
Structural Flexibility of an Inhibitor Overcomes Drug Resistance Mutations in Staphylococcus aureus FtsZ
by Junso Fujita, Yoko Maeda, Eiichi Mizohata, Tsuyoshi Inoue, Malvika Kaul, Ajit K. Parhi, Edmond J. LaVoie, Daniel S. Pilch and Hiroyoshi Matsumura
C10714028抑制剂的柔性克服耐药
ACS Chemical Biology
DOI: 10.1021/acschembio.7b00323
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01 Jun 03:03
Development of Selective Clk1 and -4 Inhibitors for Cellular Depletion of Cancer-Relevant Proteins
by Ahmed K. ElHady, Mohammad Abdel-Halim, Ashraf H. Abadi and Matthias Engel
C10714028设计降解和抑制dual inhibitor?CLK1/4 and EGFR?
Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.6b01915
20 Mar 16:46
“Addition” and “Subtraction”: Selectivity Design for Type II Maternal Embryonic Leucine Zipper Kinase Inhibitors
by Xin Chen, John Giraldes, Elizabeth R. Sprague, Subarna Shakya, Zhuoliang Chen, Yaping Wang, Carol Joud, Simon Mathieu, Christine Hiu-Tung Chen, Christopher Straub, Jose Duca, Kristen Hurov, Yanqiu Yuan, Wenlin Shao and B. Barry Touré
C10714028怎么找on-target 有利的作用，off-target 有利的作用？
Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.7b00033
C10714028 likes this
18 Mar 15:27
Structural Basis of Small-Molecule Aggregate Induced Inhibition of a Protein–Protein Interaction
by Jonathan M. Blevitt, Michael D. Hack, Krystal L. Herman, Paul F. Jackson, Paul J. Krawczuk, Alec D. Lebsack, Annie X. Liu, Taraneh Mirzadegan, Marina I. Nelen, Aaron N. Patrick, Stefan Steinbacher, Marcos E. Milla and Kevin J. Lumb
C10714028聚合物抑制剂？？？
Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.6b01836
09 Feb 11:55
The Necessary Nitrogen Atom: A Versatile High-Impact Design Element for Multiparameter Optimization
by Lewis D. Pennington and Demetri T. Moustakas
C10714028equal to magic methyl
Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.6b01807
C10714028 likes this
07 Feb 06:48
Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy
by Ying Huang, Jeff Zhang, Zhengtian Yu, Hailong Zhang, Youzhen Wang, Andreas Lingel, Wei Qi, Justin Gu, Kehao Zhao, Michael D. Shultz, Long Wang, Xingnian Fu, Yongfeng Sun, Qiong Zhang, Xiangqing Jiang, Jiangwei Zhang, Chunye Zhang, Ling Li, Jue Zeng, Lijian Feng, Chao Zhang, Yueqin Liu, Man Zhang, Lijun Zhang, Mengxi Zhao, Zhenting Gao, Xianghui Liu, Douglas Fang, Haibing Guo, Yuan Mi, Tobias Gabriel, Michael P. Dillon, Peter Atadja and Counde Oyang
C10714028fragmentation(去除非key inaction，有点相碎片发现的逆过程)和regrowth(之前的研究)
Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.6b01576
05 Feb 15:33
Structure-Based Design of Macrocyclic Factor XIa Inhibitors: Discovery of the Macrocyclic Amide Linker
by James R. Corte, Tianan Fang, Honey Osuna, Donald J. P. Pinto, Karen A. Rossi, Joseph E. Myers, Steven Sheriff, Zhen Lou, Joanna J. Zheng, Timothy W. Harper, Jeffrey M. Bozarth, Yiming Wu, Joseph M. Luettgen, Dietmar A. Seiffert, Carl P. Decicco, Ruth R. Wexler and Mimi L. Quan
C10714028可以看下
Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.6b01460
C10714028 likes this
23 Jan 15:24
Difluoromethyl Bioisostere: Examining the “Lipophilic Hydrogen Bond Donor” Concept
by Yossi Zafrani, Dina Yeffet, Gali Sod-Moriah, Anat Berliner, Dafna Amir, Daniele Marciano, Eytan Gershonov and Sigal Saphier
C10714028二氟甲基
Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.6b01691
C10714028, Darren Poole likes this
20 Dec 09:17
When Does Chemical Elaboration Induce a Ligand To Change Its Binding Mode?
by Shipra Malhotra and John Karanicolas
C10714028取代基&结合模式
Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.6b00725
Duncan Miller, Yuan-xun Wang and one other like this
14 Dec 15:41
Expanding the Cancer Arsenal with Targeted Therapies: Disarmament of the Antiapoptotic Bcl-2 Proteins by Small Molecules
by Jeremy L. Yap, Lijia Chen, Maryanna E. Lanning and Steven Fletcher
Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.5b01888
06 Dec 15:55
Discovery of [5-Amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone (CH5183284/Debio 1347), An Orally Available and Selective Fibroblast Growth Factor Receptor (FGFR) Inhibitor
by Hirosato Ebiike, Naoki Taka, Masayuki Matsushita, Masayuki Ohmori, Kyoko Takami, Ikumi Hyohdoh, Masami Kohchi, Tadakatsu Hayase, Hiroki Nishii, Kenji Morikami, Yoshito Nakanishi, Nukinori Akiyama, Hidetoshi Shindoh, Nobuya Ishii, Takehito Isobe and Hiroharu Matsuoka
C10714028可以看下
Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.6b01156
C10714028 and -1 others like this
24 Nov 14:37
Substituent Effects on Drug–Receptor H-bond Interactions: Correlations Useful for the Design of Kinase Inhibitors
by Brian G. Lawhorn, Joanne Philp, Alan P. Graves, Dennis A. Holt, Gregory J. Gatto and Lara S. Kallander
C10714028好好看下
Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.6b01342
C10714028 and -1 others like this
17 Nov 11:06
Discovery of Novel Spiro[3H-indole-3,2′-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2–p53 Interaction
by Andreas Gollner, Dorothea Rudolph, Heribert Arnhof, Markus Bauer, Sophia M. Blake, Guido Boehmelt, Xiao-Ling Cockroft, Georg Dahmann, Peter Ettmayer, Thomas Gerstberger, Jale Karolyi-Oezguer, Dirk Kessler, Christiane Kofink, Juergen Ramharter, Jörg Rinnenthal, Alexander Savchenko, Renate Schnitzer, Harald Weinstabl, Ulrike Weyer-Czernilofsky, Tobias Wunberg and Darryl B. McConnell
C10714028这个骨架够优
Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.6b00900
08 Nov 15:28
Nucleoside Phosphate and Phosphonate Prodrug Clinical Candidates
by Peter J. Thornton, Hachemi Kadri, Ageo Miccoli and Youcef Mehellou
C10714028核苷类前药
Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.6b00523
C10714028 likes this
06 Nov 15:15
The Discovery of a Potent, Selective, and Peripherally Restricted Pan-Trk Inhibitor (PF-06273340) for the Treatment of Pain
by Sarah E. Skerratt, Mark Andrews, Sharan K. Bagal, James Bilsland, David Brown, Peter J. Bungay, Susan Cole, Karl R Gibson, Russell Jones, Inaki Morao, Angus Nedderman, Kiyoyuki Omoto, Colin Robinson, Thomas Ryckmans, Kimberly Skinner, Paul Stupple and Gareth Waldron
C10714028提到很多细节
Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.6b00850
C10714028 and -1 others like this
02 Nov 16:09
Discovery of 6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide (BMS-986142): A Reversible Inhibitor of Bruton’s Tyrosine Kinase (BTK) Conformationally Constrained by Two Locked Atropisomers
by Scott H. Watterson, George V. De Lucca, Qing Shi, Charles M. Langevine, Qingjie Liu, Douglas G. Batt, Myra Beaudoin Bertrand, Hua Gong, Jun Dai, Shiuhang Yip, Peng Li, Dawn Sun, Dauh-Rurng Wu, Chunlei Wang, Yingru Zhang, Sarah C. Traeger, Mark A. Pattoli, Stacey Skala, Lihong Cheng, Mary T. Obermeier, Rodney Vickery, Lorell N. Discenza, Celia J. D’Arienzo, Yifan Zhang, Elizabeth Heimrich, Kathleen M. Gillooly, Tracy L. Taylor, Claudine Pulicicchio, Kim W. McIntyre, Michael A. Galella, Andy J. Tebben, Jodi K. Muckelbauer, ChiehYing Chang, Richard Rampulla, Arvind Mathur, Luisa Salter-Cid, Joel C. Barrish, Percy H. Carter, Aberra Fura, James R. Burke and Joseph A. Tino
C10714028Atropisomers:轴手性，another formationally constrain
Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.6b01088