Reaction Details | |||
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Target | Coagulation factor XI | ||
Ligand | BDBM50032868 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1443463 (CHEMBL3377177) | ||
Ki | 3074±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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BDBM50032868 | |||
n/a | |||
Name | BDBM50032868 | ||
Synonyms: | CHEMBL3355688 | ||
Type | Small organic molecule | ||
Emp. Form. | C24H29N5O2 | ||
Mol. Mass. | 419.5194 | ||
SMILES | NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1nn(-c2ccccc2)c(=O)[nH]1 |r,wU:5.8,wD:11.11,2.1,(30.8,-40.83,;29.48,-41.59,;28.14,-40.83,;28.14,-39.29,;26.81,-38.51,;25.47,-39.29,;25.47,-40.83,;26.81,-41.59,;24.14,-38.51,;24.14,-36.97,;22.8,-39.29,;21.47,-38.51,;21.47,-36.97,;20.13,-36.21,;18.81,-36.97,;17.47,-36.21,;17.47,-34.67,;18.81,-33.89,;20.13,-34.67,;20.18,-39.35,;18.74,-38.8,;17.77,-40,;16.23,-39.92,;15.39,-41.21,;13.85,-41.13,;13.16,-39.76,;13.99,-38.46,;15.53,-38.54,;18.61,-41.29,;18.06,-42.73,;20.1,-40.89,)| | ||
Structure |