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Compile Data Set for Download or QSAR

Found 6736 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor X/antithrombin III'   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor X


(Homo sapiens (human))
BDBM50096105
PNG
(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)
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PubMed
0.00100n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X


J Med Chem 44: 566-78 (2001)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM17129
PNG
(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)
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PubMed
0.00400 -64.4n/an/an/an/an/a7.522



Berlex Biosciences



Assay 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...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM17122
PNG
(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)
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0.00400 -64.4n/an/an/an/an/a7.522



Berlex Biosciences



Assay 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...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM17127
PNG
(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)
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0.00400 -64.4n/an/an/an/an/a7.522



Berlex Biosciences



Assay 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...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50034582
PNG
(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
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0.00420n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Coagulation factor X


J Med Chem 38: 1511-22 (1995)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50096099
PNG
(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)
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0.00500n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X


J Med Chem 44: 566-78 (2001)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM17135
PNG
(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)
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0.00500n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (human))
BDBM50377655
PNG
(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)
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0.00500n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM17136
PNG
(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)
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PubMed
0.00500 -63.9n/an/an/an/an/a7.522



Berlex Biosciences



Assay 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...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM17135
PNG
(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)
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0.00500 -63.9n/an/an/an/an/a7.522



Berlex Biosciences



Assay 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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (human))
BDBM17134
PNG
(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)
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0.00600 -63.4n/an/an/an/an/a7.522



Berlex Biosciences



Assay 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...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50096101
PNG
(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)
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0.00700n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X


J Med Chem 44: 566-78 (2001)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM17111
PNG
(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)
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0.00700 -63.0n/an/an/an/an/a7.522



Berlex Biosciences



Assay 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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (human))
BDBM50096091
PNG
(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)
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0.00800n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X


J Med Chem 44: 566-78 (2001)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM17137
PNG
(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)
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0.00800 -62.7n/an/an/an/an/a7.522



Berlex Biosciences



Assay 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...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50096110
PNG
(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)
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0.00800n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X


J Med Chem 44: 566-78 (2001)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50096108
PNG
(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)
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0.00900n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X


J Med Chem 44: 566-78 (2001)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50096085
PNG
(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)
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0.00900n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X


J Med Chem 44: 566-78 (2001)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM17133
PNG
(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)
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0.0100 -62.2n/an/an/an/an/a7.522



Berlex Biosciences



Assay 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...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM17124
PNG
(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)
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0.0100 -62.2n/an/an/an/an/a7.522



Berlex Biosciences



Assay 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...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM17130
PNG
(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)
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0.0100 -62.2n/an/an/an/an/a7.522



Berlex Biosciences



Assay 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...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM17128
PNG
(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)
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0.0100 -62.2n/an/an/an/an/a7.522



Berlex Biosciences



Assay 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...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50096098
PNG
(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)
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0.0100n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X


J Med Chem 44: 566-78 (2001)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM17131
PNG
(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)
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0.0100 -62.2n/an/an/an/an/a7.522



Berlex Biosciences



Assay 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...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM17125
PNG
(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)
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0.0100 -62.2n/an/an/an/an/a7.522



Berlex Biosciences



Assay 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...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM17123
PNG
(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)
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0.0100 -62.2n/an/an/an/an/a7.522



Berlex Biosciences



Assay 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...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50142111
PNG
(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)
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0.0120n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor X


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM17118
PNG
(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)
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0.0120 -61.7n/an/an/an/an/a7.522



Berlex Biosciences



Assay 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...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM17112
PNG
(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)
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0.0120 -61.7n/an/an/an/an/a7.522



Berlex Biosciences



Assay 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...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12751
PNG
(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)
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0.0130n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity towards human Serine protease FXa


Bioorg Med Chem Lett 11: 641-5 (2001)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12751
PNG
(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)
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0.0130n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Coagulation factor Xa (serine protease) was determined


Bioorg Med Chem Lett 12: 1511-5 (2002)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12751
PNG
(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)
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0.0130n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X


J Med Chem 44: 566-78 (2001)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12751
PNG
(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)
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0.0130 -61.5n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay 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 ...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12751
PNG
(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)
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0.0130n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12751
PNG
(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)
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0.0130 -61.5n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay 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...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50124984
PNG
((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
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0.0130n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards factor Xa


Bioorg Med Chem Lett 13: 723-8 (2003)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12751
PNG
(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)
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0.0130n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human Coagulation factor X


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50374877
PNG
(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
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0.0130n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12751
PNG
(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)
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0.0130n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested for binding affinity against human Coagulation factor Xa (trypsin-like serine protease)


Bioorg Med Chem Lett 12: 1651-5 (2002)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50377635
PNG
(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)
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0.0130n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50328697
PNG
((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
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0.0140n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50096111
PNG
(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)
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0.0150n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X


J Med Chem 44: 566-78 (2001)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50374879
PNG
(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
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0.0160n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM17104
PNG
(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)
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0.0190 -60.6n/an/an/an/an/a7.522



Berlex Biosciences



Assay 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...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12852
PNG
(4-{[2-(4-{[1-(3-amino-1,2-benzoxazol-5-yl)-3-(trif...)
Show SMILES C[N+]1(Cc2ccccc2-c2ccc(NC(=O)c3cc(nn3-c3ccc4onc(N)c4c3)C(F)(F)F)c(F)c2)CCOCC1
Show InChI InChI=1S/C30H26F4N6O3/c1-40(10-12-42-13-11-40)17-19-4-2-3-5-21(19)18-6-8-24(23(31)14-18)36-29(41)25-16-27(30(32,33)34)37-39(25)20-7-9-26-22(15-20)28(35)38-43-26/h2-9,14-16H,10-13,17H2,1H3,(H2-,35,36,38,41)/p+1
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0.0200 -60.5n/an/an/an/an/a7.022



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay 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...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50374878
PNG
(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
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0.0200n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50243592
PNG
(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
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0.0200n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human coagulation factor 10a


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (human))
BDBM50266214
PNG
(6-(4-(1-(2-(dimethylamino)ethyl)cyclopropyl)phenyl...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CCN(C)C)CC1)C(F)(F)F
Show InChI InChI=1S/C27H29F3N4O2/c1-32(2)17-15-26(13-14-26)18-4-6-19(7-5-18)33-16-12-22-23(25(33)35)34(31-24(22)27(28,29)30)20-8-10-21(36-3)11-9-20/h4-11H,12-17H2,1-3H3
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0.0200n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human coagulation factor 10a


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50266249
PNG
(6-(4-(1-(4,5-dihydro-1H-imidazol-2-yl)cyclopropyl)...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CC1)C1=NCCN1)C(F)(F)F
Show InChI InChI=1S/C26H24F3N5O2/c1-36-19-8-6-18(7-9-19)34-21-20(22(32-34)26(27,28)29)10-15-33(23(21)35)17-4-2-16(3-5-17)25(11-12-25)24-30-13-14-31-24/h2-9H,10-15H2,1H3,(H,30,31)
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0.0200n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human coagulation factor 10a


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50266215
PNG
(1-(4-methoxyphenyl)-6-(4-(1-(2-(pyrrolidin-1-yl)et...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CCN2CCCC2)CC1)C(F)(F)F
Show InChI InChI=1S/C29H31F3N4O2/c1-38-23-10-8-22(9-11-23)36-25-24(26(33-36)29(30,31)32)12-18-35(27(25)37)21-6-4-20(5-7-21)28(13-14-28)15-19-34-16-2-3-17-34/h4-11H,2-3,12-19H2,1H3
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0.0200n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human coagulation factor 10a


Citation and Details
More data for this
Ligand-Target Pair
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