Reaction Details | |||
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Target | Coagulation factor X | ||
Ligand | BDBM50062692 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_48636 (CHEMBL874700) | ||
IC50 | 1120±n/a nM | ||
Citation | Klein, SI; Czekaj, M; Gardner, CJ; Guertin, KR; Cheney, DL; Spada, AP; Bolton, SA; Brown, K; Colussi, D; Heran, CL; Morgan, SR; Leadley, RJ; Dunwiddie, CT; Perrone, MH; Chu, V Identification and initial structure-activity relationships of a novel class of nonpeptide inhibitors of blood coagulation factor Xa. J Med Chem41:437-50 (1998) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Coagulation factor X | |||
Name: | Coagulation factor X | ||
Synonyms: | Activated coagulation factor X (FXa) | Activated factor Xa heavy chain | Coagulation factor X precursor | Coagulation factor Xa | F10 | FA10_HUMAN | Factor X heavy chain | Factor X light chain | Factor Xa | Stuart factor | Stuart-Prower factor | ||
Type: | Enzyme | ||
Mol. Mass.: | 54726.60 | ||
Organism: | Homo sapiens (Human) | ||
Description: | n/a | ||
Residue: | 488 | ||
Sequence: |
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BDBM50062692 | |||
n/a | |||
Name | BDBM50062692 | ||
Synonyms: | (E)-3-[(Bicyclohexyl-4-carbonyl)-amino]-2-(3-carbamimidoyl-benzyl)-5-phenyl-pent-4-enoic acid methyl ester | CHEMBL138378 | ||
Type | Small organic molecule | ||
Emp. Form. | C33H43N3O3 | ||
Mol. Mass. | 529.7128 | ||
SMILES | COC(=O)C(Cc1cccc(c1)C(N)=N)C(NC(=O)C1CCC(CC1)C1CCCCC1)\C=C\c1ccccc1 |(9.34,-3.53,;9.34,-5.07,;8.01,-5.84,;6.67,-5.07,;8.01,-7.38,;6.68,-8.15,;5.34,-7.38,;5.34,-5.84,;4,-5.07,;2.67,-5.84,;2.67,-7.38,;4,-8.15,;1.34,-8.15,;.01,-7.38,;1.34,-9.69,;9.34,-8.15,;9.34,-9.69,;10.69,-10.46,;11.44,-9.11,;11.09,-11.95,;9.76,-12.72,;9.78,-14.26,;11.13,-15.01,;12.46,-14.23,;12.44,-12.69,;11.14,-16.55,;12.49,-17.3,;12.49,-18.85,;11.16,-19.63,;9.83,-18.86,;9.82,-17.34,;10.67,-7.38,;12.02,-8.15,;13.35,-7.37,;14.68,-8.14,;16.01,-7.37,;16.01,-5.83,;14.66,-5.06,;13.33,-5.84,)| | ||
Structure |