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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Coagulation factor XI | ||
| Ligand | BDBM238223 | ||
| Substrate/Competitor | BDBM238217 | ||
| Meas. Tech. | In Vitro Assay | ||
| pH | 7.4±n/a | ||
| Ki | 84.61±n/a nM | ||
| Comments | extracted | ||
| Citation |  Pinto, DJ; Clark, CG; Orwat, MJ; Smith, II, LM; Ewing, WR Guanidine and amine substituted tetrahydroisoquinoline compounds as factor xia inhibitors US Patent US9403774 Publication Date 8/2/2016 | ||
| 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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| BDBM238223 | |||
| BDBM238217 | |||
| Name | BDBM238223 | ||
| Synonyms: | US9403774, 32 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C25H29N3O4 | ||
| Mol. Mass. | 435.5155 | ||
| SMILES | NC[C@H]1CC[C@@H](CC1)C(=O)N1CCc2ccccc2[C@H]1C(=O)Nc1ccc(cc1)C(O)=O |r,wU:5.8,19.22,wD:2.1,(-8.25,-4.65,;-7.02,-5.48,;-5.93,-4.39,;-4.44,-4.79,;-3.35,-3.7,;-3.75,-2.22,;-5.24,-1.82,;-6.33,-2.91,;-2.42,-1.45,;-1.08,-2.22,;-2.42,.09,;-3.75,.86,;-3.75,2.4,;-2.42,3.17,;-2.42,4.71,;-1.08,5.48,;.25,4.71,;.25,3.17,;-1.08,2.4,;-1.08,.86,;.25,.09,;.25,-1.45,;1.58,.86,;2.92,.09,;2.92,-1.45,;4.25,-2.22,;5.59,-1.45,;5.59,.09,;4.25,.86,;6.92,-2.22,;8.25,-1.45,;6.92,-3.76,)| | ||
| Structure | 
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