Compile Data Set for Download or QSAR
Found 13699 Enz. Inhib. hit(s) with Target = 'Coagulation factor X'
TargetCoagulation factor X(Homo sapiens (Human))
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM50096105(2-(3-Carbamimidoyl-phenyl)-5-trifluoromethyl-2H-py...)
Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ncc(cn1)-c1ccccc1S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C22H17F3N8O3S/c23-22(24,25)18-9-16(33(32-18)14-5-3-4-12(8-14)19(26)27)20(34)31-21-29-10-13(11-30-21)15-6-1-2-7-17(15)37(28,35)36/h1-11H,(H3,26,27)(H2,28,35,36)(H,29,30,31,34)
Affinity DataKi:  0.00100nMAssay Description:Binding affinity against human coagulation factor XMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM17129(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN2CCN=C2)c1Cl
Show InChI InChI=1S/C22H18Cl3N5O3S/c1-33-16-7-14(24)6-15(21(31)28-17-3-2-13(23)8-27-17)19(16)29-22(32)20-18(25)12(10-34-20)9-30-5-4-26-11-30/h2-3,6-8,10-11H,4-5,9H2,1H3,(H,29,32)(H,27,28,31)
Affinity DataKi:  0.00400nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM17127(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN2CCN=C2SC)c1Cl
Show InChI InChI=1S/C23H20Cl3N5O3S2/c1-34-16-8-14(25)7-15(21(32)29-17-4-3-13(24)9-28-17)19(16)30-22(33)20-18(26)12(11-36-20)10-31-6-5-27-23(31)35-2/h3-4,7-9,11H,5-6,10H2,1-2H3,(H,30,33)(H,28,29,32)
Affinity DataKi:  0.00400nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM17122(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C2=NCCC2)c1Cl
Show InChI InChI=1S/C24H22Cl3N5O3S/c1-32(19-4-3-7-28-19)11-13-12-36-22(20(13)27)24(34)31-21-16(8-15(26)9-17(21)35-2)23(33)30-18-6-5-14(25)10-29-18/h5-6,8-10,12H,3-4,7,11H2,1-2H3,(H,31,34)(H,29,30,33)
Affinity DataKi:  0.00400nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM50034582(CHEMBL2448441 | Peptide boronate)
Show SMILES Br.CC1(C)C2CC1[C@]1(C)OB(O[C@@H]1C2)C(CCC\C(S)=N\N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C37H50BN5O6S.BrH/c1-36(2)26-21-29(36)37(3)30(22-26)48-38(49-37)31(17-10-18-32(50)42-39)41-33(44)28-16-11-19-43(28)34(45)27(20-24-12-6-4-7-13-24)40-35(46)47-23-25-14-8-5-9-15-25;/h4-9,12-15,26-31H,10-11,16-23,39H2,1-3H3,(H,40,46)(H,41,44)(H,42,50);1H/t26?,27-,28-,29?,30+,31?,37-;/m0./s1
Affinity DataKi:  0.00420nMAssay Description:Binding affinity against Coagulation factor XMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM50096099(2-(3-Carbamimidoyl-phenyl)-5-methyl-2H-pyrazole-3-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2F)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N
Show InChI InChI=1S/C24H21FN6O3S/c1-14-11-21(31(30-14)17-6-4-5-16(12-17)23(26)27)24(32)29-20-10-9-15(13-19(20)25)18-7-2-3-8-22(18)35(28,33)34/h2-13H,1H3,(H3,26,27)(H,29,32)(H2,28,33,34)
Affinity DataKi:  0.00500nMAssay Description:Binding affinity against human coagulation factor XMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM17135(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES CNc1nccn1Cc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl
Show InChI InChI=1S/C23H19Cl3N6O3S/c1-27-23-28-5-6-32(23)10-12-11-36-20(18(12)26)22(34)31-19-15(7-14(25)8-16(19)35-2)21(33)30-17-4-3-13(24)9-29-17/h3-9,11H,10H2,1-2H3,(H,27,28)(H,31,34)(H,29,30,33)
Affinity DataKi:  0.00500nMAssay Description:Inhibition of factor 10aMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM50377655(CHEMBL260160)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(cc1F)-n1ccccc1=O
Show InChI InChI=1S/C25H17Cl2FN4O4/c1-36-20-11-15(27)10-18(25(35)30-21-8-5-14(26)13-29-21)23(20)31-24(34)17-7-6-16(12-19(17)28)32-9-3-2-4-22(32)33/h2-13H,1H3,(H,31,34)(H,29,30,35)
Affinity DataKi:  0.00500nMAssay Description:Inhibition of human factor 10aMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM17136(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES CCNc1nccn1Cc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl
Show InChI InChI=1S/C24H21Cl3N6O3S/c1-3-28-24-29-6-7-33(24)11-13-12-37-21(19(13)27)23(35)32-20-16(8-15(26)9-17(20)36-2)22(34)31-18-5-4-14(25)10-30-18/h4-10,12H,3,11H2,1-2H3,(H,28,29)(H,32,35)(H,30,31,34)
Affinity DataKi:  0.00500nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM17135(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES CNc1nccn1Cc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl
Show InChI InChI=1S/C23H19Cl3N6O3S/c1-27-23-28-5-6-32(23)10-12-11-36-20(18(12)26)22(34)31-19-15(7-14(25)8-16(19)35-2)21(33)30-17-4-3-13(24)9-29-17/h3-9,11H,10H2,1-2H3,(H,27,28)(H,31,34)(H,29,30,33)
Affinity DataKi:  0.00500nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM17134(4-[(2-amino-1H-imidazol-1-yl)methyl]-3-chloro-N-{4...)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(Cn2ccnc2N)c1Cl
Show InChI InChI=1S/C22H17Cl3N6O3S/c1-34-15-7-13(24)6-14(20(32)29-16-3-2-12(23)8-28-16)18(15)30-21(33)19-17(25)11(10-35-19)9-31-5-4-27-22(31)26/h2-8,10H,9H2,1H3,(H2,26,27)(H,30,33)(H,28,29,32)
Affinity DataKi:  0.00600nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM17111(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C2=NCCO2)c1Cl
Show InChI InChI=1S/C23H20Cl3N5O4S/c1-31(23-27-5-6-35-23)10-12-11-36-20(18(12)26)22(33)30-19-15(7-14(25)8-16(19)34-2)21(32)29-17-4-3-13(24)9-28-17/h3-4,7-9,11H,5-6,10H2,1-2H3,(H,30,33)(H,28,29,32)
Affinity DataKi:  0.00700nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM50096101(2-(3-Carbamimidoyl-phenyl)-5-methyl-2H-pyrazole-3-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cn2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N
Show InChI InChI=1S/C23H21N7O3S/c1-14-11-19(30(29-14)17-6-4-5-15(12-17)22(24)25)23(31)28-21-10-9-16(13-27-21)18-7-2-3-8-20(18)34(26,32)33/h2-13H,1H3,(H3,24,25)(H2,26,32,33)(H,27,28,31)
Affinity DataKi:  0.00700nMAssay Description:Binding affinity against human coagulation factor XMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM50096091(2-(3-Carbamimidoyl-phenyl)-5-methyl-2H-pyrazole-3-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(C)(=O)=O)n(n1)-c1cccc(c1)C(N)=N
Show InChI InChI=1S/C25H23N5O3S/c1-16-14-22(30(29-16)20-7-5-6-18(15-20)24(26)27)25(31)28-19-12-10-17(11-13-19)21-8-3-4-9-23(21)34(2,32)33/h3-15H,1-2H3,(H3,26,27)(H,28,31)
Affinity DataKi:  0.00800nMAssay Description:Binding affinity against human coagulation factor XMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM50096110(2-(3-Carbamimidoyl-phenyl)-5-trifluoromethyl-2H-py...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2cccc(c2)C(N)=N)C(F)(F)F)cc1
Show InChI InChI=1S/C25H20F3N5O3S/c1-37(35,36)21-8-3-2-7-19(21)15-9-11-17(12-10-15)31-24(34)20-14-22(25(26,27)28)32-33(20)18-6-4-5-16(13-18)23(29)30/h2-14H,1H3,(H3,29,30)(H,31,34)
Affinity DataKi:  0.00800nMAssay Description:Binding affinity against human coagulation factor XMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM17137(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(Cn2ccnc2NC(C)C)c1Cl
Show InChI InChI=1S/C25H23Cl3N6O3S/c1-13(2)31-25-29-6-7-34(25)11-14-12-38-22(20(14)28)24(36)33-21-17(8-16(27)9-18(21)37-3)23(35)32-19-5-4-15(26)10-30-19/h4-10,12-13H,11H2,1-3H3,(H,29,31)(H,33,36)(H,30,32,35)
Affinity DataKi:  0.00800nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM50096108(2-(3-Carbamimidoyl-phenyl)-5-trifluoromethyl-2H-py...)
Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C23H18F3N7O3S/c24-23(25,26)19-11-17(33(32-19)15-5-3-4-13(10-15)21(27)28)22(34)31-20-9-8-14(12-30-20)16-6-1-2-7-18(16)37(29,35)36/h1-12H,(H3,27,28)(H2,29,35,36)(H,30,31,34)
Affinity DataKi:  0.00900nMAssay Description:Binding affinity against human coagulation factor XMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM50096085(2-(3-Carbamimidoyl-phenyl)-5-methyl-2H-pyrazole-3-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2Cl)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N
Show InChI InChI=1S/C24H21ClN6O3S/c1-14-11-21(31(30-14)17-6-4-5-16(12-17)23(26)27)24(32)29-20-10-9-15(13-19(20)25)18-7-2-3-8-22(18)35(28,33)34/h2-13H,1H3,(H3,26,27)(H,29,32)(H2,28,33,34)
Affinity DataKi:  0.00900nMAssay Description:Binding affinity against human coagulation factor XMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM17131(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C(N)=N)c1Cl
Show InChI InChI=1S/C21H19Cl3N6O3S/c1-30(21(25)26)8-10-9-34-18(16(10)24)20(32)29-17-13(5-12(23)6-14(17)33-2)19(31)28-15-4-3-11(22)7-27-15/h3-7,9H,8H2,1-2H3,(H3,25,26)(H,29,32)(H,27,28,31)
Affinity DataKi:  0.0100nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM17130(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C(C)=N)c1Cl
Show InChI InChI=1S/C22H20Cl3N5O3S/c1-11(26)30(2)9-12-10-34-20(18(12)25)22(32)29-19-15(6-14(24)7-16(19)33-3)21(31)28-17-5-4-13(23)8-27-17/h4-8,10,26H,9H2,1-3H3,(H,29,32)(H,27,28,31)
Affinity DataKi:  0.0100nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM17124(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN2CCSC2=N)c1Cl
Show InChI InChI=1S/C22H18Cl3N5O3S2/c1-33-15-7-13(24)6-14(20(31)28-16-3-2-12(23)8-27-16)18(15)29-21(32)19-17(25)11(10-35-19)9-30-4-5-34-22(30)26/h2-3,6-8,10,26H,4-5,9H2,1H3,(H,29,32)(H,27,28,31)
Affinity DataKi:  0.0100nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM17123(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN2CCOC2=N)c1Cl
Show InChI InChI=1S/C22H18Cl3N5O4S/c1-33-15-7-13(24)6-14(20(31)28-16-3-2-12(23)8-27-16)18(15)29-21(32)19-17(25)11(10-35-19)9-30-4-5-34-22(30)26/h2-3,6-8,10,26H,4-5,9H2,1H3,(H,29,32)(H,27,28,31)
Affinity DataKi:  0.0100nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM17125(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN2CCNC2=N)c1Cl
Show InChI InChI=1S/C22H19Cl3N6O3S/c1-34-15-7-13(24)6-14(20(32)29-16-3-2-12(23)8-28-16)18(15)30-21(33)19-17(25)11(10-35-19)9-31-5-4-27-22(31)26/h2-3,6-8,10H,4-5,9H2,1H3,(H2,26,27)(H,30,33)(H,28,29,32)
Affinity DataKi:  0.0100nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM17133(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(Cn2ccnc2C)c1Cl
Show InChI InChI=1S/C23H18Cl3N5O3S/c1-12-27-5-6-31(12)10-13-11-35-21(19(13)26)23(33)30-20-16(7-15(25)8-17(20)34-2)22(32)29-18-4-3-14(24)9-28-18/h3-9,11H,10H2,1-2H3,(H,30,33)(H,28,29,32)
Affinity DataKi:  0.0100nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM50096098(2-(3-Carbamimidoyl-phenyl)-5-methyl-2H-pyrazole-3-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2Br)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N
Show InChI InChI=1S/C24H21BrN6O3S/c1-14-11-21(31(30-14)17-6-4-5-16(12-17)23(26)27)24(32)29-20-10-9-15(13-19(20)25)18-7-2-3-8-22(18)35(28,33)34/h2-13H,1H3,(H3,26,27)(H,29,32)(H2,28,33,34)
Affinity DataKi:  0.0100nMAssay Description:Binding affinity against human coagulation factor XMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM17128(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN2CCN=C2C)c1Cl
Show InChI InChI=1S/C23H20Cl3N5O3S/c1-12-27-5-6-31(12)10-13-11-35-21(19(13)26)23(33)30-20-16(7-15(25)8-17(20)34-2)22(32)29-18-4-3-14(24)9-28-18/h3-4,7-9,11H,5-6,10H2,1-2H3,(H,30,33)(H,28,29,32)
Affinity DataKi:  0.0100nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM50142111(1-{4'-[4-Chloro-2-(5-chloro-pyridin-2-ylcarbamoyl)...)
Show SMILES OC(=O)C1CCN(CC1)c1ccccc1-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C31H26Cl2N4O4/c32-22-9-11-26(25(17-22)30(39)36-28-12-10-23(33)18-34-28)35-29(38)20-7-5-19(6-8-20)24-3-1-2-4-27(24)37-15-13-21(14-16-37)31(40)41/h1-12,17-18,21H,13-16H2,(H,35,38)(H,40,41)(H,34,36,39)
Affinity DataKi:  0.0120nMAssay Description:Inhibitory concentration against coagulation factor Xa.More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM17118(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C2=NCCCO2)c1Cl
Show InChI InChI=1S/C24H22Cl3N5O4S/c1-32(24-28-6-3-7-36-24)11-13-12-37-21(19(13)27)23(34)31-20-16(8-15(26)9-17(20)35-2)22(33)30-18-5-4-14(25)10-29-18/h4-5,8-10,12H,3,6-7,11H2,1-2H3,(H,31,34)(H,29,30,33)
Affinity DataKi:  0.0120nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM17112(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES CCN(Cc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl)C1=NCCO1
Show InChI InChI=1S/C24H22Cl3N5O4S/c1-3-32(24-28-6-7-36-24)11-13-12-37-21(19(13)27)23(34)31-20-16(8-15(26)9-17(20)35-2)22(33)30-18-5-4-14(25)10-29-18/h4-5,8-10,12H,3,6-7,11H2,1-2H3,(H,31,34)(H,29,30,33)
Affinity DataKi:  0.0120nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM12751(1-(3-carbamimidoylphenyl)-3-methyl-N-[4-(2-sulfamo...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N
Show InChI InChI=1S/C24H22N6O3S/c1-15-13-21(30(29-15)19-6-4-5-17(14-19)23(25)26)24(31)28-18-11-9-16(10-12-18)20-7-2-3-8-22(20)34(27,32)33/h2-14H,1H3,(H3,25,26)(H,28,31)(H2,27,32,33)
Affinity DataKi:  0.0130nMAssay Description:Tested in vitro for inhibition of human Coagulation factor XMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM50124984((R)-5-Guanidino-2-phenylmethanesulfonylamino-penta...)
Show SMILES NC(=N)NCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)N[C@H](CCCNC(N)=N)C(=O)c1nccs1
Show InChI InChI=1S/C24H36N10O5S2/c25-23(26)30-10-4-8-17(20(36)22-29-12-13-40-22)33-19(35)14-32-21(37)18(9-5-11-31-24(27)28)34-41(38,39)15-16-6-2-1-3-7-16/h1-3,6-7,12-13,17-18,34H,4-5,8-11,14-15H2,(H,32,37)(H,33,35)(H4,25,26,30)(H4,27,28,31)/t17-,18-/m1/s1
Affinity DataKi:  0.0130nMAssay Description:In vitro binding affinity towards factor XaMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM12751(1-(3-carbamimidoylphenyl)-3-methyl-N-[4-(2-sulfamo...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N
Show InChI InChI=1S/C24H22N6O3S/c1-15-13-21(30(29-15)19-6-4-5-17(14-19)23(25)26)24(31)28-18-11-9-16(10-12-18)20-7-2-3-8-22(20)34(27,32)33/h2-14H,1H3,(H3,25,26)(H,28,31)(H2,27,32,33)
Affinity DataKi:  0.0130nMAssay Description:Binding affinity towards Rabbit Coagulation factor X in a rabbit arterio-venous (A-V) shunt modelMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM12751(1-(3-carbamimidoylphenyl)-3-methyl-N-[4-(2-sulfamo...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N
Show InChI InChI=1S/C24H22N6O3S/c1-15-13-21(30(29-15)19-6-4-5-17(14-19)23(25)26)24(31)28-18-11-9-16(10-12-18)20-7-2-3-8-22(20)34(27,32)33/h2-14H,1H3,(H3,25,26)(H,28,31)(H2,27,32,33)
Affinity DataKi:  0.0130nMAssay Description:Inhibition of human factor 10a using S-2765 as substrate after 30 mins by spectrophotometric methodMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM12751(1-(3-carbamimidoylphenyl)-3-methyl-N-[4-(2-sulfamo...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N
Show InChI InChI=1S/C24H22N6O3S/c1-15-13-21(30(29-15)19-6-4-5-17(14-19)23(25)26)24(31)28-18-11-9-16(10-12-18)20-7-2-3-8-22(20)34(27,32)33/h2-14H,1H3,(H3,25,26)(H,28,31)(H2,27,32,33)
Affinity DataKi:  0.0130nMAssay Description:Inhibitory activity of the compound against Coagulation factor Xa (serine protease) was determinedMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM12751(1-(3-carbamimidoylphenyl)-3-methyl-N-[4-(2-sulfamo...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N
Show InChI InChI=1S/C24H22N6O3S/c1-15-13-21(30(29-15)19-6-4-5-17(14-19)23(25)26)24(31)28-18-11-9-16(10-12-18)20-7-2-3-8-22(20)34(27,32)33/h2-14H,1H3,(H3,25,26)(H,28,31)(H2,27,32,33)
Affinity DataKi:  0.0130nM ΔG°:  -61.5kJ/molepH: 7.0 T: 2°CAssay Description:Ki values were obtained from purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were determined ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM12751(1-(3-carbamimidoylphenyl)-3-methyl-N-[4-(2-sulfamo...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N
Show InChI InChI=1S/C24H22N6O3S/c1-15-13-21(30(29-15)19-6-4-5-17(14-19)23(25)26)24(31)28-18-11-9-16(10-12-18)20-7-2-3-8-22(20)34(27,32)33/h2-14H,1H3,(H3,25,26)(H,28,31)(H2,27,32,33)
Affinity DataKi:  0.0130nM ΔG°:  -61.5kJ/molepH: 7.0 T: 2°CAssay Description:Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM12751(1-(3-carbamimidoylphenyl)-3-methyl-N-[4-(2-sulfamo...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N
Show InChI InChI=1S/C24H22N6O3S/c1-15-13-21(30(29-15)19-6-4-5-17(14-19)23(25)26)24(31)28-18-11-9-16(10-12-18)20-7-2-3-8-22(20)34(27,32)33/h2-14H,1H3,(H3,25,26)(H,28,31)(H2,27,32,33)
Affinity DataKi:  0.0130nMAssay Description:Tested for binding affinity against human Coagulation factor Xa (trypsin-like serine protease)More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM50374877(CHEMBL270221)
Show SMILES CN(C)CCN(C)C(=O)CN(C1CCCN(C1=O)c1ccc(cc1F)-n1ccccc1=O)S(=O)(=O)c1cc2ccc(Cl)nc2s1
Show InChI InChI=1S/C30H32ClFN6O5S2/c1-34(2)15-16-35(3)27(40)19-38(45(42,43)28-17-20-9-12-25(31)33-29(20)44-28)24-7-6-14-37(30(24)41)23-11-10-21(18-22(23)32)36-13-5-4-8-26(36)39/h4-5,8-13,17-18,24H,6-7,14-16,19H2,1-3H3
Affinity DataKi:  0.0130nMAssay Description:Inhibition of human factor 10aMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM50377635(CHEMBL402980)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C25H18Cl2N4O4/c1-35-20-13-17(27)12-19(25(34)29-21-10-7-16(26)14-28-21)23(20)30-24(33)15-5-8-18(9-6-15)31-11-3-2-4-22(31)32/h2-14H,1H3,(H,30,33)(H,28,29,34)
Affinity DataKi:  0.0130nMAssay Description:Inhibition of human factor 10aMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM12751(1-(3-carbamimidoylphenyl)-3-methyl-N-[4-(2-sulfamo...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N
Show InChI InChI=1S/C24H22N6O3S/c1-15-13-21(30(29-15)19-6-4-5-17(14-19)23(25)26)24(31)28-18-11-9-16(10-12-18)20-7-2-3-8-22(20)34(27,32)33/h2-14H,1H3,(H3,25,26)(H,28,31)(H2,27,32,33)
Affinity DataKi:  0.0130nMAssay Description:Inhibition of factor 10aMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM12751(1-(3-carbamimidoylphenyl)-3-methyl-N-[4-(2-sulfamo...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N
Show InChI InChI=1S/C24H22N6O3S/c1-15-13-21(30(29-15)19-6-4-5-17(14-19)23(25)26)24(31)28-18-11-9-16(10-12-18)20-7-2-3-8-22(20)34(27,32)33/h2-14H,1H3,(H3,25,26)(H,28,31)(H2,27,32,33)
Affinity DataKi:  0.0130nMAssay Description:Binding affinity against human coagulation factor XMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM50328697((R)-5-guanidino-N-(2-((S)-5-guanidino-1-oxo-1-(thi...)
Show SMILES NC(N)=NCCC[C@H](NC(=O)CNC(=O)[C@@H](CCCN=C(N)N)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C24H36N10O5S2/c25-23(26)30-10-4-8-17(20(36)22-29-12-13-40-22)33-19(35)14-32-21(37)18(9-5-11-31-24(27)28)34-41(38,39)15-16-6-2-1-3-7-16/h1-3,6-7,12-13,17-18,34H,4-5,8-11,14-15H2,(H,32,37)(H,33,35)(H4,25,26,30)(H4,27,28,31)/t17-,18+/m0/s1
Affinity DataKi:  0.0140nMAssay Description:Inhibition of human factor 10aMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM50096111(2-(3-Carbamimidoyl-phenyl)-5-trifluoromethyl-2H-py...)
Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C24H19F3N6O3S/c25-24(26,27)21-13-19(33(32-21)17-5-3-4-15(12-17)22(28)29)23(34)31-16-10-8-14(9-11-16)18-6-1-2-7-20(18)37(30,35)36/h1-13H,(H3,28,29)(H,31,34)(H2,30,35,36)
Affinity DataKi:  0.0150nMAssay Description:Binding affinity against human coagulation factor XMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM50374879(CHEMBL401958)
Show SMILES CN(C)CCN(C)C(=O)CN([C@H]1CCCN(C1=O)c1ccc(cc1F)-n1ccccc1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C33H35ClFN5O5S/c1-36(2)17-18-37(3)32(42)22-40(46(44,45)27-13-10-23-19-25(34)11-9-24(23)20-27)30-7-6-16-39(33(30)43)29-14-12-26(21-28(29)35)38-15-5-4-8-31(38)41/h4-5,8-15,19-21,30H,6-7,16-18,22H2,1-3H3/t30-/m0/s1
Affinity DataKi:  0.0160nMAssay Description:Inhibition of human factor 10aMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM17104(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)CCN2CCCC2)c1Cl
Show InChI InChI=1S/C26H28Cl3N5O3S/c1-33(9-10-34-7-3-4-8-34)14-16-15-38-24(22(16)29)26(36)32-23-19(11-18(28)12-20(23)37-2)25(35)31-21-6-5-17(27)13-30-21/h5-6,11-13,15H,3-4,7-10,14H2,1-2H3,(H,32,36)(H,30,31,35)
Affinity DataKi:  0.0190nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor XI(Homo sapiens (Human))
Bristol-Myers Squibb Co.

Curated by ChEMBL
LigandPNGBDBM50260646(CHEMBL4096251)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](Cc3ccc(F)c(CCC(=O)Nc2c1)n3)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C31H26ClFN10O4/c1-47-31(46)37-20-4-6-21-24(13-20)38-29(45)11-8-23-22(33)7-5-19(36-23)14-25(30-34-15-26(21)40-30)39-28(44)10-2-17-12-18(32)3-9-27(17)43-16-35-41-42-43/h2-7,9-10,12-13,15-16,25H,8,11,14H2,1H3,(H,34,40)(H,37,46)(H,38,45)(H,39,44)/b10-2+/t25-/m0/s1
Affinity DataKi:  0.0200nMAssay Description:Inhibition of human F11a using peptide substrate by spectrophotometryMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM50374879(CHEMBL401958)
Show SMILES CN(C)CCN(C)C(=O)CN([C@H]1CCCN(C1=O)c1ccc(cc1F)-n1ccccc1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C33H35ClFN5O5S/c1-36(2)17-18-37(3)32(42)22-40(46(44,45)27-13-10-23-19-25(34)11-9-24(23)20-27)30-7-6-16-39(33(30)43)29-14-12-26(21-28(29)35)38-15-5-4-8-31(38)41/h4-5,8-15,19-21,30H,6-7,16-18,22H2,1-3H3/t30-/m0/s1
Affinity DataKi:  0.0200nMAssay Description:Inhibition of human factor 10aMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM50374878(CHEMBL270862)
Show SMILES Fc1cc(ccc1N1CCCC(NS(=O)(=O)c2cc3ccc(Cl)nc3s2)C1=O)-n1ccccc1=O
Show InChI InChI=1S/C23H18ClFN4O4S2/c24-19-9-6-14-12-21(34-22(14)26-19)35(32,33)27-17-4-3-11-29(23(17)31)18-8-7-15(13-16(18)25)28-10-2-1-5-20(28)30/h1-2,5-10,12-13,17,27H,3-4,11H2
Affinity DataKi:  0.0200nMAssay Description:Inhibition of human factor 10aMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM50096096(2-(3-Carbamimidoyl-phenyl)-5-methyl-2H-pyrazole-3-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2F)-c2ccccc2S(C)(=O)=O)n(n1)-c1cccc(c1)C(N)=N
Show InChI InChI=1S/C25H22FN5O3S/c1-15-12-22(31(30-15)18-7-5-6-17(13-18)24(27)28)25(32)29-21-11-10-16(14-20(21)26)19-8-3-4-9-23(19)35(2,33)34/h3-14H,1-2H3,(H3,27,28)(H,29,32)
Affinity DataKi:  0.0200nMAssay Description:Binding affinity against human coagulation factor XMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM50243592(1-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin-1-ylmethyl...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CN2CCCC2)CC1)C(F)(F)F
Show InChI InChI=1S/C28H29F3N4O2/c1-37-22-10-8-21(9-11-22)35-24-23(25(32-35)28(29,30)31)12-17-34(26(24)36)20-6-4-19(5-7-20)27(13-14-27)18-33-15-2-3-16-33/h4-11H,2-3,12-18H2,1H3
Affinity DataKi:  0.0200nMAssay Description:Binding affinity to human coagulation factor 10aMore data for this Ligand-Target Pair
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