Reaction Details | |||
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Target | Plasma kallikrein | ||
Ligand | BDBM50032870 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1443466 (CHEMBL3377180) | ||
Ki | 5023±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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BDBM50032870 | |||
n/a | |||
Name | BDBM50032870 | ||
Synonyms: | CHEMBL3355687 | ||
Type | Small organic molecule | ||
Emp. Form. | C25H30N4O | ||
Mol. Mass. | 402.5319 | ||
SMILES | NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1cc(n[nH]1)-c1ccccc1 |r,wU:5.8,wD:11.11,2.1,(30.8,-41.53,;29.47,-42.3,;28.13,-41.53,;28.13,-39.99,;26.8,-39.22,;25.46,-39.99,;25.46,-41.53,;26.8,-42.3,;24.13,-39.22,;24.13,-37.68,;22.8,-39.99,;21.46,-39.22,;21.46,-37.68,;20.13,-36.91,;18.8,-37.68,;17.46,-36.91,;17.46,-35.37,;18.8,-34.6,;20.13,-35.37,;20.17,-40.06,;18.74,-39.51,;17.77,-40.7,;18.6,-42,;20.09,-41.6,;16.23,-40.62,;15.39,-41.92,;13.86,-41.83,;13.16,-40.46,;14,-39.17,;15.52,-39.25,)| | ||
Structure |