Reaction Details | |||
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Target | Coagulation factor XI | ||
Ligand | BDBM50032886 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1443463 (CHEMBL3377177) | ||
Ki | 590±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 | ||
Coagulation factor XI | |||
Name: | Coagulation factor XI | ||
Synonyms: | Coagulation factor XIa | Coagulation factor XIa heavy chain | Coagulation factor XIa light chain | F11 | FA11_HUMAN | FXI | Factor XIa | Factor XIa (fXIa) | PTA | Plasma thromboplastin antecedent | ||
Type: | Enzyme | ||
Mol. Mass.: | 70130.58 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P03951 | ||
Residue: | 625 | ||
Sequence: |
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BDBM50032886 | |||
n/a | |||
Name | BDBM50032886 | ||
Synonyms: | CHEMBL3355671 | ||
Type | Small organic molecule | ||
Emp. Form. | C28H31F3N4O5 | ||
Mol. Mass. | 560.5647 | ||
SMILES | OC(=O)C(F)(F)F.NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1nc(c[nH]1)-c1ccc(cc1)C(O)=O |r,wU:18.18,12.14,wD:9.7,(24.46,-10.74,;25.79,-11.51,;25.79,-13.05,;27.12,-10.74,;28.46,-11.51,;28.45,-9.95,;27.12,-9.2,;8.38,-17.72,;9.7,-18.5,;11.04,-17.73,;12.38,-18.51,;13.72,-17.74,;13.72,-16.2,;12.39,-15.43,;11.05,-16.19,;15.05,-15.43,;15.05,-13.89,;16.38,-16.2,;17.72,-15.43,;17.72,-13.89,;19.05,-13.12,;20.38,-13.89,;21.72,-13.12,;21.72,-11.58,;20.37,-10.81,;19.05,-11.58,;19.05,-16.2,;20.45,-15.57,;21.48,-16.71,;20.71,-18.05,;19.21,-17.73,;23.01,-16.56,;23.63,-15.15,;25.15,-14.99,;26.07,-16.23,;25.44,-17.64,;23.91,-17.8,;27.6,-16.07,;28.51,-17.31,;28.22,-14.66,)| | ||
Structure |