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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Coagulation factor XI | ||
| Ligand | BDBM304136 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | Factor XIa Assay | ||
| IC50 | 0.450±n/a nM | ||
| Citation |  Shen, D; Kuang, R; Kumar, P; Duffy, JL; Zhu, C; Ali, A; Yang, M; Debenham, JS Factor XIa inhibitors US Patent US10143681 Publication Date 12/4/2018 | ||
| 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: |
| ||
| BDBM304136 | |||
| n/a | |||
| Name | BDBM304136 | ||
| Synonyms: | 2-(1-((4- carboxyphenyl)amino)-3- ((1r,4r)-4-hydroxy-4- methylcyclohexyl)-1- oxopropan-2-yl)-5-(3-chloro- 6-(difluoromethoxy)-2- fluorophenyl)pyridine 1-oxide | BDBM304138 | US10143681, Example 42 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C29H28ClF3N2O6 | ||
| Mol. Mass. | 592.991 | ||
| SMILES | C[C@]1(O)CC[C@H](CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)CC1 |r,wU:1.1,wD:5.5,1.0,$;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(-4.77,6.06,;-4,4.72,;-5.54,4.72,;-2.67,5.49,;-1.33,4.72,;-1.33,3.18,;,2.41,;,.87,;1.33,.1,;1.33,-1.44,;2.67,.87,;4,.1,;4,-1.44,;5.33,-2.21,;6.67,-1.44,;6.67,.1,;5.33,.87,;8,-2.21,;8,-3.75,;9.34,-1.44,;-1.33,.1,;-2.67,.87,;-4,.1,;-4,-1.44,;-2.67,-2.21,;-1.33,-1.44,;,-2.21,;-5.33,-2.21,;-5.33,-3.75,;-4,-4.52,;-6.67,-4.52,;-6.67,-6.06,;-8,-3.75,;-8,-2.21,;-6.67,-1.44,;-6.67,.1,;-8,.87,;-8,2.41,;-9.34,.1,;-2.67,2.41,;-4,3.18,)| | ||
| Structure | 
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