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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Coagulation factor XI | ||
| Ligand | BDBM50103208 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1461137 (CHEMBL3395462) | ||
| Ki | 3.2±n/a nM | ||
| Citation |  Corte, JR; Fang, T; Hangeland, JJ; Friends, TJ; Rendina, AR; Luettgen, JM; Bozarth, JM; Barbera, FA; Rossi, KA; Wei, A; Ramamurthy, V; Morin, PE; Seiffert, DA; Wexler, RR; Quan, ML Pyridine and pyridinone-based factor XIa inhibitors. Bioorg Med Chem Lett25:925-30 (2015) [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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| BDBM50103208 | |||
| n/a | |||
| Name | BDBM50103208 | ||
| Synonyms: | CHEMBL3393381 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C26H31N7O | ||
| Mol. Mass. | 457.5706 | ||
| SMILES | NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1nc(c[nH]1)-c1ccc2c(N)n[nH]c2c1 |r,wU:5.8,wD:2.1,11.11,(26.66,-34.02,;27.43,-35.36,;26.66,-36.68,;25.12,-36.68,;24.35,-38.02,;25.12,-39.35,;26.66,-39.35,;27.43,-38.02,;24.35,-40.69,;22.81,-40.69,;25.12,-42.02,;24.35,-43.36,;22.81,-43.36,;22.04,-44.69,;22.81,-46.02,;22.04,-47.35,;20.5,-47.35,;19.73,-46.02,;20.5,-44.69,;25.12,-44.69,;26.65,-44.85,;26.97,-46.36,;25.64,-47.13,;24.49,-46.1,;28.38,-46.98,;28.54,-48.51,;29.95,-49.15,;31.19,-48.24,;32.7,-48.56,;33.32,-49.96,;33.47,-47.22,;32.44,-46.08,;31.03,-46.71,;29.63,-46.08,)| | ||
| Structure | 
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