Compile Data Set for Download or QSAR
Found 2 Enz. Inhib. hit(s) for PDB: 1NFU
TargetCoagulation factor X(Homo sapiens (Human))
Bristol-Myers Squibb Co.

Curated by ChEMBL
LigandPNGBDBM12592(3-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXO...)
Show SMILES NC(=N)c1cccc(CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)c1
Show InChI InChI=1S/C20H19ClN4O3S2/c21-16-5-4-14-9-19(29-17(14)10-16)30(27,28)25-7-6-24(18(26)12-25)11-13-2-1-3-15(8-13)20(22)23/h1-5,8-10H,6-7,11-12H2,(H3,22,23)
Affinity DataKi:  4nMAssay Description:Inhibition of factor 10aMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Bristol-Myers Squibb Co.

Curated by ChEMBL
LigandPNGBDBM12592(3-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXO...)
Show SMILES NC(=N)c1cccc(CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)c1
Show InChI InChI=1S/C20H19ClN4O3S2/c21-16-5-4-14-9-19(29-17(14)10-16)30(27,28)25-7-6-24(18(26)12-25)11-13-2-1-3-15(8-13)20(22)23/h1-5,8-10H,6-7,11-12H2,(H3,22,23)
Affinity DataKi:  18nM ΔG°:  -43.8kJ/molepH: 7.5 T: 2°CAssay Description:The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...More data for this Ligand-Target Pair