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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Coagulation factor XI | ||
| Ligand | BDBM50153062 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEBML_1563872 | ||
| Ki | 10.0±n/a nM | ||
| Citation |  Corte, JR; Fang, T; Pinto, DJ; Orwat, MJ; Rendina, AR; Luettgen, JM; Rossi, KA; Wei, A; Ramamurthy, V; Myers, JE; Sheriff, S; Narayanan, R; Harper, TW; Zheng, JJ; Li, YX; Seiffert, DA; Wexler, RR; Quan, ML Orally bioavailable pyridine and pyrimidine-based Factor XIa inhibitors: Discovery of the methyl N-phenyl carbamate P2 prime group. Bioorg Med Chem24:2257-72 (2016) [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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| BDBM50153062 | |||
| n/a | |||
| Name | BDBM50153062 | ||
| Synonyms: | CHEMBL3781505 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C29H32N6O | ||
| Mol. Mass. | 480.604 | ||
| SMILES | NC[C@H]1CC[C@@H](CC1)C(=O)NC(Cc1ccccc1)c1cc(ccn1)-c1ccc2c(N)ncnc2c1 |r,wU:2.1,wD:5.8,(2.71,9.66,;2.71,8.43,;1.37,7.66,;1.36,6.12,;.02,5.36,;-1.31,6.14,;-1.3,7.68,;.04,8.44,;-2.65,5.38,;-2.66,4.15,;-3.98,6.16,;-5.32,5.4,;-6.65,6.18,;-7.99,5.42,;-9.32,6.2,;-10.65,5.44,;-10.66,3.9,;-9.34,3.12,;-8,3.88,;-5.33,3.86,;-4,3.08,;-4.01,1.54,;-5.35,.78,;-6.68,1.56,;-6.67,3.1,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-2.77,;2.66,-.77,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,)| | ||
| Structure | 
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