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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Coagulation factor XI | ||
| Ligand | BDBM50103216 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1461137 (CHEMBL3395462) | ||
| Ki | 12±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: |
| ||
| BDBM50103216 | |||
| n/a | |||
| Name | BDBM50103216 | ||
| Synonyms: | CHEMBL3393373 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C25H29ClN4O | ||
| Mol. Mass. | 436.977 | ||
| SMILES | NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1nc(c(Cl)[nH]1)-c1ccccc1 |r,wU:5.8,11.12,wD:2.1,(3.74,.92,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;-2.67,-1.54,;-3.73,-.93,;-2.66,-3.08,;-4,-3.86,;-3.99,-5.4,;-5.33,-6.17,;-5.33,-7.71,;-6.66,-8.48,;-8,-7.71,;-8,-6.17,;-6.66,-5.4,;-5.33,-3.09,;-5.47,-1.57,;-6.98,-1.25,;-7.75,-2.58,;-8.98,-2.71,;-6.72,-3.73,;-7.61,.16,;-9.12,.43,;-9.64,1.88,;-8.64,3.06,;-7.13,2.78,;-6.61,1.33,)| | ||
| Structure | 
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