Reaction Details | |||
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Target | Plasma kallikrein | ||
Ligand | BDBM50032860 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1443466 (CHEMBL3377180) | ||
Ki | 1470±n/a nM | ||
Citation | Hangeland, JJ; Friends, TJ; Rossi, KA; Smallheer, JM; Wang, C; Sun, Z; Corte, JR; Fang, T; Wong, PC; Rendina, AR; Barbera, FA; Bozarth, JM; Luettgen, JM; Watson, CA; Zhang, G; Wei, A; Ramamurthy, V; Morin, PE; Bisacchi, GS; Subramaniam, S; Arunachalam, P; Mathur, A; Seiffert, DA; Wexler, RR; Quan, ML Phenylimidazoles as potent and selective inhibitors of coagulation factor XIa with in vivo antithrombotic activity. J Med Chem57:9915-32 (2014) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Plasma kallikrein | |||
Name: | Plasma kallikrein | ||
Synonyms: | Fletcher factor | KLK3 | KLKB1 | KLKB1_HUMAN | Kallikrein | Kininogenin | Plasma kallikrein heavy chain | Plasma kallikrein light chain | Plasma prekallikrein | ||
Type: | Protein | ||
Mol. Mass.: | 71391.16 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P03952 | ||
Residue: | 638 | ||
Sequence: |
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BDBM50032860 | |||
n/a | |||
Name | BDBM50032860 | ||
Synonyms: | CHEMBL3355669 | ||
Type | Small organic molecule | ||
Emp. Form. | C31H37F3N4O5 | ||
Mol. Mass. | 602.6445 | ||
SMILES | OC(=O)C(F)(F)F.CCOC(=O)Cc1cccc(c1)-c1c[nH]c(n1)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:24.25,35.36,wD:38.40,(24.99,-5.26,;26.32,-6.03,;26.32,-7.58,;27.66,-5.26,;28.99,-6.03,;28.98,-4.47,;27.66,-3.72,;27.86,-19.29,;26.95,-18.05,;27.57,-16.64,;26.66,-15.4,;25.13,-15.56,;27.28,-13.99,;26.37,-12.75,;27,-11.34,;26.08,-10.1,;24.56,-10.26,;23.94,-11.66,;24.84,-12.91,;22.41,-11.82,;21.64,-13.16,;20.13,-12.83,;19.98,-11.31,;21.38,-10.68,;18.64,-10.54,;18.64,-9,;19.98,-8.23,;21.31,-9,;22.64,-8.23,;22.65,-6.69,;21.3,-5.92,;19.97,-6.69,;17.31,-11.3,;15.97,-10.53,;15.97,-8.99,;14.64,-11.3,;14.65,-12.85,;13.31,-13.61,;11.97,-12.84,;10.63,-13.6,;9.3,-12.83,;11.97,-11.3,;13.31,-10.54,)| | ||
Structure |