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Compile Data Set for Download or QSAR

Found 74 hits from Collegeville   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50062689
PNG
((E)-2-(3-Carbamimidoyl-benzyl)-3-[(3',4'-dimethoxy...)
Show SMILES COC(=O)C(Cc1cccc(c1)C(N)=N)C(NC(=O)c1ccc(cc1)-c1ccc(OC)c(OC)c1)\C=C\c1ccccc1
Show InChI InChI=1S/C35H35N3O5/c1-41-31-19-17-27(22-32(31)42-2)25-13-15-26(16-14-25)34(39)38-30(18-12-23-8-5-4-6-9-23)29(35(40)43-3)21-24-10-7-11-28(20-24)33(36)37/h4-20,22,29-30H,21H2,1-3H3,(H3,36,37)(H,38,39)/b18-12+
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n/an/a 30n/an/an/an/an/an/a



Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50062698
PNG
((E)-2-(3-Carbamimidoyl-benzyl)-3-[(2'-methoxy-biph...)
Show SMILES COC(=O)C(Cc1cccc(c1)C(N)=N)C(NC(=O)c1ccc(cc1)-c1ccccc1OC)\C=C\c1ccccc1
Show InChI InChI=1S/C34H33N3O4/c1-40-31-14-7-6-13-28(31)25-16-18-26(19-17-25)33(38)37-30(20-15-23-9-4-3-5-10-23)29(34(39)41-2)22-24-11-8-12-27(21-24)32(35)36/h3-21,29-30H,22H2,1-2H3,(H3,35,36)(H,37,38)/b20-15+
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Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50062714
PNG
((2R,3R)-3-[(Biphenyl-4-carbonyl)-amino]-2-(3-carba...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](CCc1ccccc1)NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C33H33N3O3/c1-39-33(38)29(22-24-11-8-14-28(21-24)31(34)35)30(20-15-23-9-4-2-5-10-23)36-32(37)27-18-16-26(17-19-27)25-12-6-3-7-13-25/h2-14,16-19,21,29-30H,15,20,22H2,1H3,(H3,34,35)(H,36,37)/t29-,30-/m1/s1
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Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50062709
PNG
((E)-2-(3-Carbamimidoyl-benzyl)-3-[(2'-ethoxy-biphe...)
Show SMILES CCOc1ccccc1-c1ccc(cc1)C(=O)NC(\C=C\c1ccccc1)C(Cc1cccc(c1)C(N)=N)C(=O)OC
Show InChI InChI=1S/C35H35N3O4/c1-3-42-32-15-8-7-14-29(32)26-17-19-27(20-18-26)34(39)38-31(21-16-24-10-5-4-6-11-24)30(35(40)41-2)23-25-12-9-13-28(22-25)33(36)37/h4-22,30-31H,3,23H2,1-2H3,(H3,36,37)(H,38,39)/b21-16+
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n/an/a 60n/an/an/an/an/an/a



Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50062708
PNG
((E)-2-(3-Carbamimidoyl-benzyl)-3-[(4'-methoxy-biph...)
Show SMILES COC(=O)C(Cc1cccc(c1)C(N)=N)C(NC(=O)c1ccc(cc1)-c1ccc(OC)cc1)\C=C\c1ccccc1
Show InChI InChI=1S/C34H33N3O4/c1-40-29-18-16-26(17-19-29)25-12-14-27(15-13-25)33(38)37-31(20-11-23-7-4-3-5-8-23)30(34(39)41-2)22-24-9-6-10-28(21-24)32(35)36/h3-21,30-31H,22H2,1-2H3,(H3,35,36)(H,37,38)/b20-11+
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Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50062681
PNG
((E)-2-(3-Carbamimidoyl-benzyl)-3-[(2'-methyl-biphe...)
Show SMILES COC(=O)C(Cc1cccc(c1)C(N)=N)C(NC(=O)c1ccc(cc1)-c1ccccc1C)\C=C\c1ccccc1
Show InChI InChI=1S/C34H33N3O3/c1-23-9-6-7-14-29(23)26-16-18-27(19-17-26)33(38)37-31(20-15-24-10-4-3-5-11-24)30(34(39)40-2)22-25-12-8-13-28(21-25)32(35)36/h3-21,30-31H,22H2,1-2H3,(H3,35,36)(H,37,38)/b20-15+
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Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50062713
PNG
((E)-2-(3-Carbamimidoyl-benzyl)-3-[(2',4'-dimethoxy...)
Show SMILES COC(=O)C(Cc1cccc(c1)C(N)=N)C(NC(=O)c1ccc(cc1)-c1ccc(OC)cc1OC)\C=C\c1ccccc1
Show InChI InChI=1S/C35H35N3O5/c1-41-28-17-18-29(32(22-28)42-2)25-13-15-26(16-14-25)34(39)38-31(19-12-23-8-5-4-6-9-23)30(35(40)43-3)21-24-10-7-11-27(20-24)33(36)37/h4-20,22,30-31H,21H2,1-3H3,(H3,36,37)(H,38,39)/b19-12+
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Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50062712
PNG
((E)-2-(3-Carbamimidoyl-benzyl)-3-[(3'-methoxy-biph...)
Show SMILES COC(=O)C(Cc1cccc(c1)C(N)=N)C(NC(=O)c1ccc(cc1)-c1cccc(OC)c1)\C=C\c1ccccc1
Show InChI InChI=1S/C34H33N3O4/c1-40-29-13-7-11-27(22-29)25-15-17-26(18-16-25)33(38)37-31(19-14-23-8-4-3-5-9-23)30(34(39)41-2)21-24-10-6-12-28(20-24)32(35)36/h3-20,22,30-31H,21H2,1-2H3,(H3,35,36)(H,37,38)/b19-14+
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Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50062697
PNG
((E)-3-[(Biphenyl-4-carbonyl)-amino]-2-(3-carbamimi...)
Show SMILES COC(=O)C(Cc1cccc(c1)C(N)=N)C(NC(=O)c1ccc(cc1)-c1ccccc1)\C=C\c1ccccc1
Show InChI InChI=1S/C33H31N3O3/c1-39-33(38)29(22-24-11-8-14-28(21-24)31(34)35)30(20-15-23-9-4-2-5-10-23)36-32(37)27-18-16-26(17-19-27)25-12-6-3-7-13-25/h2-21,29-30H,22H2,1H3,(H3,34,35)(H,36,37)/b20-15+
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Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50062683
PNG
((E)-2-(3-Carbamimidoyl-benzyl)-3-[(3'-methyl-biphe...)
Show SMILES COC(=O)C(Cc1cccc(c1)C(N)=N)C(NC(=O)c1ccc(cc1)-c1cccc(C)c1)\C=C\c1ccccc1
Show InChI InChI=1S/C34H33N3O3/c1-23-8-6-12-28(20-23)26-15-17-27(18-16-26)33(38)37-31(19-14-24-9-4-3-5-10-24)30(34(39)40-2)22-25-11-7-13-29(21-25)32(35)36/h3-21,30-31H,22H2,1-2H3,(H3,35,36)(H,37,38)/b19-14+
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Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50062715
PNG
((E)-2-(3-Carbamimidoyl-benzyl)-3-[(naphthalene-2-c...)
Show SMILES COC(=O)C(Cc1cccc(c1)C(N)=N)C(NC(=O)c1ccc2ccccc2c1)\C=C\c1ccccc1
Show InChI InChI=1S/C31H29N3O3/c1-37-31(36)27(19-22-10-7-13-25(18-22)29(32)33)28(17-14-21-8-3-2-4-9-21)34-30(35)26-16-15-23-11-5-6-12-24(23)20-26/h2-18,20,27-28H,19H2,1H3,(H3,32,33)(H,34,35)/b17-14+
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Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50062688
PNG
((E)-2-(3-Carbamimidoyl-benzyl)-3-[(3'-ethoxy-biphe...)
Show SMILES CCOc1cccc(c1)-c1ccc(cc1)C(=O)NC(\C=C\c1ccccc1)C(Cc1cccc(c1)C(N)=N)C(=O)OC
Show InChI InChI=1S/C35H35N3O4/c1-3-42-30-14-8-12-28(23-30)26-16-18-27(19-17-26)34(39)38-32(20-15-24-9-5-4-6-10-24)31(35(40)41-2)22-25-11-7-13-29(21-25)33(36)37/h4-21,23,31-32H,3,22H2,1-2H3,(H3,36,37)(H,38,39)/b20-15+
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Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50062684
PNG
((E)-2-(3-Carbamimidoyl-benzyl)-3-[(4'-methyl-biphe...)
Show SMILES COC(=O)C(Cc1cccc(c1)C(N)=N)C(NC(=O)c1ccc(cc1)-c1ccc(C)cc1)\C=C\c1ccccc1
Show InChI InChI=1S/C34H33N3O3/c1-23-11-14-26(15-12-23)27-16-18-28(19-17-27)33(38)37-31(20-13-24-7-4-3-5-8-24)30(34(39)40-2)22-25-9-6-10-29(21-25)32(35)36/h3-21,30-31H,22H2,1-2H3,(H3,35,36)(H,37,38)/b20-13+
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n/an/a 240n/an/an/an/an/an/a



Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50062682
PNG
(3-[(Biphenyl-4-carbonyl)-amino]-2-(3-carbamimidoyl...)
Show SMILES COC(=O)C(Cc1cccc(c1)C(N)=N)C(CCc1ccccc1)NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C33H33N3O3/c1-39-33(38)29(22-24-11-8-14-28(21-24)31(34)35)30(20-15-23-9-4-2-5-10-23)36-32(37)27-18-16-26(17-19-27)25-12-6-3-7-13-25/h2-14,16-19,21,29-30H,15,20,22H2,1H3,(H3,34,35)(H,36,37)
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Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50062682
PNG
(3-[(Biphenyl-4-carbonyl)-amino]-2-(3-carbamimidoyl...)
Show SMILES COC(=O)C(Cc1cccc(c1)C(N)=N)C(CCc1ccccc1)NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C33H33N3O3/c1-39-33(38)29(22-24-11-8-14-28(21-24)31(34)35)30(20-15-23-9-4-2-5-10-23)36-32(37)27-18-16-26(17-19-27)25-12-6-3-7-13-25/h2-14,16-19,21,29-30H,15,20,22H2,1H3,(H3,34,35)(H,36,37)
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Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50062693
PNG
(Acetic acid (E)-3-[(biphenyl-4-carbonyl)-amino]-2-...)
Show SMILES CC(=O)OCC(Cc1cccc(c1)C(N)=N)C(NC(=O)c1ccc(cc1)-c1ccccc1)\C=C\c1ccccc1
Show InChI InChI=1S/C34H33N3O3/c1-24(38)40-23-31(22-26-11-8-14-30(21-26)33(35)36)32(20-15-25-9-4-2-5-10-25)37-34(39)29-18-16-28(17-19-29)27-12-6-3-7-13-27/h2-21,31-32H,22-23H2,1H3,(H3,35,36)(H,37,39)/b20-15+
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Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50062701
PNG
((E)-2-(3-Carbamimidoyl-benzyl)-3-[(4'-ethoxy-biphe...)
Show SMILES CCOc1ccc(cc1)-c1ccc(cc1)C(=O)NC(\C=C\c1ccccc1)C(Cc1cccc(c1)C(N)=N)C(=O)OC
Show InChI InChI=1S/C35H35N3O4/c1-3-42-30-19-17-27(18-20-30)26-13-15-28(16-14-26)34(39)38-32(21-12-24-8-5-4-6-9-24)31(35(40)41-2)23-25-10-7-11-29(22-25)33(36)37/h4-22,31-32H,3,23H2,1-2H3,(H3,36,37)(H,38,39)/b21-12+
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Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50062690
PNG
((E)-2-(3-Carbamimidoyl-benzyl)-3-[(2'-ethyl-biphen...)
Show SMILES CCc1ccccc1-c1ccc(cc1)C(=O)NC(\C=C\c1ccccc1)C(Cc1cccc(c1)C(N)=N)C(=O)OC
Show InChI InChI=1S/C35H35N3O3/c1-3-26-13-7-8-15-30(26)27-17-19-28(20-18-27)34(39)38-32(21-16-24-10-5-4-6-11-24)31(35(40)41-2)23-25-12-9-14-29(22-25)33(36)37/h4-22,31-32H,3,23H2,1-2H3,(H3,36,37)(H,38,39)/b21-16+
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n/an/a 380n/an/an/an/an/an/a



Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50062700
PNG
((E)-2-(3-Carbamimidoyl-benzyl)-3-[(3'-ethyl-biphen...)
Show SMILES CCc1cccc(c1)-c1ccc(cc1)C(=O)NC(\C=C\c1ccccc1)C(Cc1cccc(c1)C(N)=N)C(=O)OC
Show InChI InChI=1S/C35H35N3O3/c1-3-24-11-7-13-29(21-24)27-16-18-28(19-17-27)34(39)38-32(20-15-25-9-5-4-6-10-25)31(35(40)41-2)23-26-12-8-14-30(22-26)33(36)37/h4-22,31-32H,3,23H2,1-2H3,(H3,36,37)(H,38,39)/b20-15+
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Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50062716
PNG
((E)-3-(4-Benzyl-benzoylamino)-2-(3-carbamimidoyl-b...)
Show SMILES COC(=O)C(Cc1cccc(c1)C(N)=N)C(NC(=O)c1ccc(Cc2ccccc2)cc1)\C=C\c1ccccc1
Show InChI InChI=1S/C34H33N3O3/c1-40-34(39)30(23-27-13-8-14-29(22-27)32(35)36)31(20-17-24-9-4-2-5-10-24)37-33(38)28-18-15-26(16-19-28)21-25-11-6-3-7-12-25/h2-20,22,30-31H,21,23H2,1H3,(H3,35,36)(H,37,38)/b20-17+
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Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50062695
PNG
(Biphenyl-4-carboxylic acid {(E)-1-[2-(3-carbamimid...)
Show SMILES COCC(Cc1cccc(c1)C(N)=N)C(NC(=O)c1ccc(cc1)-c1ccccc1)\C=C\c1ccccc1
Show InChI InChI=1S/C33H33N3O2/c1-38-23-30(22-25-11-8-14-29(21-25)32(34)35)31(20-15-24-9-4-2-5-10-24)36-33(37)28-18-16-27(17-19-28)26-12-6-3-7-13-26/h2-21,30-31H,22-23H2,1H3,(H3,34,35)(H,36,37)/b20-15+
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Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50062685
PNG
((E)-2-(3-Carbamimidoyl-benzyl)-3-(4-cyclohexyl-ben...)
Show SMILES COC(=O)C(Cc1cccc(c1)C(N)=N)C(NC(=O)c1ccc(cc1)C1CCCCC1)\C=C\c1ccccc1
Show InChI InChI=1S/C33H37N3O3/c1-39-33(38)29(22-24-11-8-14-28(21-24)31(34)35)30(20-15-23-9-4-2-5-10-23)36-32(37)27-18-16-26(17-19-27)25-12-6-3-7-13-25/h2,4-5,8-11,14-21,25,29-30H,3,6-7,12-13,22H2,1H3,(H3,34,35)(H,36,37)/b20-15+
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Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50062717
PNG
((E)-2-(3-Carbamimidoyl-benzyl)-3-(4-methyl-benzoyl...)
Show SMILES COC(=O)C(Cc1cccc(c1)C(N)=N)C(NC(=O)c1ccc(C)cc1)\C=C\c1ccccc1
Show InChI InChI=1S/C28H29N3O3/c1-19-11-14-22(15-12-19)27(32)31-25(16-13-20-7-4-3-5-8-20)24(28(33)34-2)18-21-9-6-10-23(17-21)26(29)30/h3-17,24-25H,18H2,1-2H3,(H3,29,30)(H,31,32)/b16-13+
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Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50062686
PNG
(Biphenyl-4-carboxylic acid {(E)-1-[2-(3-carbamimid...)
Show SMILES NC(=N)c1cccc(CC(CO)C(NC(=O)c2ccc(cc2)-c2ccccc2)\C=C\c2ccccc2)c1
Show InChI InChI=1S/C32H31N3O2/c33-31(34)28-13-7-10-24(20-28)21-29(22-36)30(19-14-23-8-3-1-4-9-23)35-32(37)27-17-15-26(16-18-27)25-11-5-2-6-12-25/h1-20,29-30,36H,21-22H2,(H3,33,34)(H,35,37)/b19-14+
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n/an/a 650n/an/an/an/an/an/a



Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50062691
PNG
((E)-(2R,3R)-3-Benzoylamino-2-(3-carbamimidoyl-benz...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@H](NC(=O)c1ccccc1)\C=C\c1ccccc1
Show InChI InChI=1S/C27H27N3O3/c1-33-27(32)23(18-20-11-8-14-22(17-20)25(28)29)24(16-15-19-9-4-2-5-10-19)30-26(31)21-12-6-3-7-13-21/h2-17,23-24H,18H2,1H3,(H3,28,29)(H,30,31)/b16-15+/t23-,24-/m1/s1
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n/an/a 700n/an/an/an/an/an/a



Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50062704
PNG
((E)-3-Benzoylamino-2-(3-carbamimidoyl-benzyl)-5-ph...)
Show SMILES COC(=O)C(Cc1cccc(c1)C(N)=N)C(NC(=O)c1ccccc1)\C=C\c1ccccc1
Show InChI InChI=1S/C27H27N3O3/c1-33-27(32)23(18-20-11-8-14-22(17-20)25(28)29)24(16-15-19-9-4-2-5-10-19)30-26(31)21-12-6-3-7-13-21/h2-17,23-24H,18H2,1H3,(H3,28,29)(H,30,31)/b16-15+
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n/an/a 700n/an/an/an/an/an/a



Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50062707
PNG
((E)-2-(3-Carbamimidoyl-benzyl)-3-[(naphthalene-1-c...)
Show SMILES COC(=O)C(Cc1cccc(c1)C(N)=N)C(NC(=O)c1cccc2ccccc12)\C=C\c1ccccc1
Show InChI InChI=1S/C31H29N3O3/c1-37-31(36)27(20-22-11-7-14-24(19-22)29(32)33)28(18-17-21-9-3-2-4-10-21)34-30(35)26-16-8-13-23-12-5-6-15-25(23)26/h2-19,27-28H,20H2,1H3,(H3,32,33)(H,34,35)/b18-17+
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n/an/a 790n/an/an/an/an/an/a



Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50062702
PNG
((E)-2-(3-Carbamimidoyl-benzyl)-3-[(4'-ethyl-biphen...)
Show SMILES CCc1ccc(cc1)-c1ccc(cc1)C(=O)NC(\C=C\c1ccccc1)C(Cc1cccc(c1)C(N)=N)C(=O)OC
Show InChI InChI=1S/C35H35N3O3/c1-3-24-12-15-27(16-13-24)28-17-19-29(20-18-28)34(39)38-32(21-14-25-8-5-4-6-9-25)31(35(40)41-2)23-26-10-7-11-30(22-26)33(36)37/h4-22,31-32H,3,23H2,1-2H3,(H3,36,37)(H,38,39)/b21-14+
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Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50062699
PNG
(Biphenyl-4-carboxylic acid {(E)-1-[2-(3-carbamimid...)
Show SMILES NC(=N)c1cccc(CCC(NC(=O)c2ccc(cc2)-c2ccccc2)\C=C\c2ccccc2)c1
Show InChI InChI=1S/C31H29N3O/c32-30(33)28-13-7-10-24(22-28)15-21-29(20-14-23-8-3-1-4-9-23)34-31(35)27-18-16-26(17-19-27)25-11-5-2-6-12-25/h1-14,16-20,22,29H,15,21H2,(H3,32,33)(H,34,35)/b20-14+
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n/an/a 950n/an/an/an/an/an/a



Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50062705
PNG
((E)-2-(3-Carbamimidoyl-benzyl)-3-(3-methyl-benzoyl...)
Show SMILES COC(=O)C(Cc1cccc(c1)C(N)=N)C(NC(=O)c1cccc(C)c1)\C=C\c1ccccc1
Show InChI InChI=1S/C28H29N3O3/c1-19-8-6-13-23(16-19)27(32)31-25(15-14-20-9-4-3-5-10-20)24(28(33)34-2)18-21-11-7-12-22(17-21)26(29)30/h3-17,24-25H,18H2,1-2H3,(H3,29,30)(H,31,32)/b15-14+
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n/an/a 1.10E+3n/an/an/an/an/an/a



Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50062692
PNG
((E)-3-[(Bicyclohexyl-4-carbonyl)-amino]-2-(3-carba...)
Show SMILES COC(=O)C(Cc1cccc(c1)C(N)=N)C(NC(=O)C1CCC(CC1)C1CCCCC1)\C=C\c1ccccc1
Show InChI InChI=1S/C33H43N3O3/c1-39-33(38)29(22-24-11-8-14-28(21-24)31(34)35)30(20-15-23-9-4-2-5-10-23)36-32(37)27-18-16-26(17-19-27)25-12-6-3-7-13-25/h2,4-5,8-11,14-15,20-21,25-27,29-30H,3,6-7,12-13,16-19,22H2,1H3,(H3,34,35)(H,36,37)/b20-15+
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n/an/a 1.12E+3n/an/an/an/an/an/a



Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50062710
PNG
((E)-3-(2-Biphenyl-4-yl-acetylamino)-2-(3-carbamimi...)
Show SMILES COC(=O)C(Cc1cccc(c1)C(N)=N)C(NC(=O)Cc1ccc(cc1)-c1ccccc1)\C=C\c1ccccc1
Show InChI InChI=1S/C34H33N3O3/c1-40-34(39)30(22-26-11-8-14-29(21-26)33(35)36)31(20-17-24-9-4-2-5-10-24)37-32(38)23-25-15-18-28(19-16-25)27-12-6-3-7-13-27/h2-21,30-31H,22-23H2,1H3,(H3,35,36)(H,37,38)/b20-17+
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n/an/a 1.13E+3n/an/an/an/an/an/a



Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50062687
PNG
((E)-2-(3-Carbamimidoyl-benzyl)-3-(2-methyl-benzoyl...)
Show SMILES COC(=O)C(Cc1cccc(c1)C(N)=N)C(NC(=O)c1ccccc1C)\C=C\c1ccccc1
Show InChI InChI=1S/C28H29N3O3/c1-19-9-6-7-14-23(19)27(32)31-25(16-15-20-10-4-3-5-11-20)24(28(33)34-2)18-21-12-8-13-22(17-21)26(29)30/h3-17,24-25H,18H2,1-2H3,(H3,29,30)(H,31,32)/b16-15+
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n/an/a 1.20E+3n/an/an/an/an/an/a



Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50062696
PNG
((E)-2-(3-Carbamimidoyl-benzyl)-3-(4-phenoxy-benzoy...)
Show SMILES COC(=O)C(Cc1cccc(c1)C(N)=N)C(NC(=O)c1ccc(Oc2ccccc2)cc1)\C=C\c1ccccc1
Show InChI InChI=1S/C33H31N3O4/c1-39-33(38)29(22-24-11-8-12-26(21-24)31(34)35)30(20-15-23-9-4-2-5-10-23)36-32(37)25-16-18-28(19-17-25)40-27-13-6-3-7-14-27/h2-21,29-30H,22H2,1H3,(H3,34,35)(H,36,37)/b20-15+
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n/an/a 1.22E+3n/an/an/an/an/an/a



Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
Trypsin II


(Homo sapiens (human))
BDBM50062693
PNG
(Acetic acid (E)-3-[(biphenyl-4-carbonyl)-amino]-2-...)
Show SMILES CC(=O)OCC(Cc1cccc(c1)C(N)=N)C(NC(=O)c1ccc(cc1)-c1ccccc1)\C=C\c1ccccc1
Show InChI InChI=1S/C34H33N3O3/c1-24(38)40-23-31(22-26-11-8-14-30(21-26)33(35)36)32(20-15-25-9-4-2-5-10-25)37-34(39)29-18-16-28(17-19-29)27-12-6-3-7-13-27/h2-21,31-32H,22-23H2,1H3,(H3,35,36)(H,37,39)/b20-15+
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n/an/a 1.40E+3n/an/an/an/an/an/a



Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine trypsin


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50062700
PNG
((E)-2-(3-Carbamimidoyl-benzyl)-3-[(3'-ethyl-biphen...)
Show SMILES CCc1cccc(c1)-c1ccc(cc1)C(=O)NC(\C=C\c1ccccc1)C(Cc1cccc(c1)C(N)=N)C(=O)OC
Show InChI InChI=1S/C35H35N3O3/c1-3-24-11-7-13-29(21-24)27-16-18-28(19-17-27)34(39)38-32(20-15-25-9-5-4-6-10-25)31(35(40)41-2)23-26-12-8-14-30(22-26)33(36)37/h4-22,31-32H,3,23H2,1-2H3,(H3,36,37)(H,38,39)/b20-15+
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n/an/a 1.70E+3n/an/an/an/an/an/a



Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against human Thrombin


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
Trypsin II


(Homo sapiens (human))
BDBM50062698
PNG
((E)-2-(3-Carbamimidoyl-benzyl)-3-[(2'-methoxy-biph...)
Show SMILES COC(=O)C(Cc1cccc(c1)C(N)=N)C(NC(=O)c1ccc(cc1)-c1ccccc1OC)\C=C\c1ccccc1
Show InChI InChI=1S/C34H33N3O4/c1-40-31-14-7-6-13-28(31)25-16-18-26(19-17-25)33(38)37-30(20-15-23-9-4-3-5-10-23)29(34(39)41-2)22-24-11-8-12-27(21-24)32(35)36/h3-21,29-30H,22H2,1-2H3,(H3,35,36)(H,37,38)/b20-15+
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n/an/a 1.80E+3n/an/an/an/an/an/a



Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine trypsin


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
Trypsin II


(Homo sapiens (human))
BDBM50062709
PNG
((E)-2-(3-Carbamimidoyl-benzyl)-3-[(2'-ethoxy-biphe...)
Show SMILES CCOc1ccccc1-c1ccc(cc1)C(=O)NC(\C=C\c1ccccc1)C(Cc1cccc(c1)C(N)=N)C(=O)OC
Show InChI InChI=1S/C35H35N3O4/c1-3-42-32-15-8-7-14-29(32)26-17-19-27(20-18-26)34(39)38-31(21-16-24-10-5-4-6-11-24)30(35(40)41-2)23-25-12-9-13-28(22-25)33(36)37/h4-22,30-31H,3,23H2,1-2H3,(H3,36,37)(H,38,39)/b21-16+
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n/an/a 1.80E+3n/an/an/an/an/an/a



Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine trypsin


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50062711
PNG
((E)-3-(Biphenyl-4-sulfonylamino)-2-(3-carbamimidoy...)
Show SMILES COC(=O)C(Cc1cccc(c1)C(N)=N)C(NS(=O)(=O)c1ccc(cc1)-c1ccccc1)\C=C\c1ccccc1
Show InChI InChI=1S/C32H31N3O4S/c1-39-32(36)29(22-24-11-8-14-27(21-24)31(33)34)30(20-15-23-9-4-2-5-10-23)35-40(37,38)28-18-16-26(17-19-28)25-12-6-3-7-13-25/h2-21,29-30,35H,22H2,1H3,(H3,33,34)/b20-15+
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n/an/a 1.97E+3n/an/an/an/an/an/a



Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50062703
PNG
((E)-(2S,3R)-3-Benzoylamino-2-(3-carbamimidoyl-benz...)
Show SMILES COC(=O)[C@@H](Cc1cccc(c1)C(N)=N)[C@H](NC(=O)c1ccccc1)\C=C\c1ccccc1
Show InChI InChI=1S/C27H27N3O3/c1-33-27(32)23(18-20-11-8-14-22(17-20)25(28)29)24(16-15-19-9-4-2-5-10-19)30-26(31)21-12-6-3-7-13-21/h2-17,23-24H,18H2,1H3,(H3,28,29)(H,30,31)/b16-15+/t23-,24+/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50062701
PNG
((E)-2-(3-Carbamimidoyl-benzyl)-3-[(4'-ethoxy-biphe...)
Show SMILES CCOc1ccc(cc1)-c1ccc(cc1)C(=O)NC(\C=C\c1ccccc1)C(Cc1cccc(c1)C(N)=N)C(=O)OC
Show InChI InChI=1S/C35H35N3O4/c1-3-42-30-19-17-27(18-20-30)26-13-15-28(16-14-26)34(39)38-32(21-12-24-8-5-4-6-9-24)31(35(40)41-2)23-25-10-7-11-29(22-25)33(36)37/h4-22,31-32H,3,23H2,1-2H3,(H3,36,37)(H,38,39)/b21-12+
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n/an/a 2.00E+3n/an/an/an/an/an/a



Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against human Thrombin


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
Trypsin II


(Homo sapiens (human))
BDBM50062712
PNG
((E)-2-(3-Carbamimidoyl-benzyl)-3-[(3'-methoxy-biph...)
Show SMILES COC(=O)C(Cc1cccc(c1)C(N)=N)C(NC(=O)c1ccc(cc1)-c1cccc(OC)c1)\C=C\c1ccccc1
Show InChI InChI=1S/C34H33N3O4/c1-40-29-13-7-11-27(22-29)25-15-17-26(18-16-25)33(38)37-31(19-14-23-8-4-3-5-9-23)30(34(39)41-2)21-24-10-6-12-28(20-24)32(35)36/h3-20,22,30-31H,21H2,1-2H3,(H3,35,36)(H,37,38)/b19-14+
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n/an/a 2.20E+3n/an/an/an/an/an/a



Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine trypsin


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50062712
PNG
((E)-2-(3-Carbamimidoyl-benzyl)-3-[(3'-methoxy-biph...)
Show SMILES COC(=O)C(Cc1cccc(c1)C(N)=N)C(NC(=O)c1ccc(cc1)-c1cccc(OC)c1)\C=C\c1ccccc1
Show InChI InChI=1S/C34H33N3O4/c1-40-29-13-7-11-27(22-29)25-15-17-26(18-16-25)33(38)37-31(19-14-23-8-4-3-5-9-23)30(34(39)41-2)21-24-10-6-12-28(20-24)32(35)36/h3-20,22,30-31H,21H2,1-2H3,(H3,35,36)(H,37,38)/b19-14+
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n/an/a 2.40E+3n/an/an/an/an/an/a



Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against human Thrombin


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
Trypsin II


(Homo sapiens (human))
BDBM50062689
PNG
((E)-2-(3-Carbamimidoyl-benzyl)-3-[(3',4'-dimethoxy...)
Show SMILES COC(=O)C(Cc1cccc(c1)C(N)=N)C(NC(=O)c1ccc(cc1)-c1ccc(OC)c(OC)c1)\C=C\c1ccccc1
Show InChI InChI=1S/C35H35N3O5/c1-41-31-19-17-27(22-32(31)42-2)25-13-15-26(16-14-25)34(39)38-30(18-12-23-8-5-4-6-9-23)29(35(40)43-3)21-24-10-7-11-28(20-24)33(36)37/h4-20,22,29-30H,21H2,1-3H3,(H3,36,37)(H,38,39)/b18-12+
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n/an/a 2.50E+3n/an/an/an/an/an/a



Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine trypsin


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
Trypsin II


(Homo sapiens (human))
BDBM50062690
PNG
((E)-2-(3-Carbamimidoyl-benzyl)-3-[(2'-ethyl-biphen...)
Show SMILES CCc1ccccc1-c1ccc(cc1)C(=O)NC(\C=C\c1ccccc1)C(Cc1cccc(c1)C(N)=N)C(=O)OC
Show InChI InChI=1S/C35H35N3O3/c1-3-26-13-7-8-15-30(26)27-17-19-28(20-18-27)34(39)38-32(21-16-24-10-5-4-6-11-24)31(35(40)41-2)23-25-12-9-14-29(22-25)33(36)37/h4-22,31-32H,3,23H2,1-2H3,(H3,36,37)(H,38,39)/b21-16+
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n/an/a 2.50E+3n/an/an/an/an/an/a



Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine trypsin


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
Trypsin II


(Homo sapiens (human))
BDBM50062700
PNG
((E)-2-(3-Carbamimidoyl-benzyl)-3-[(3'-ethyl-biphen...)
Show SMILES CCc1cccc(c1)-c1ccc(cc1)C(=O)NC(\C=C\c1ccccc1)C(Cc1cccc(c1)C(N)=N)C(=O)OC
Show InChI InChI=1S/C35H35N3O3/c1-3-24-11-7-13-29(21-24)27-16-18-28(19-17-27)34(39)38-32(20-15-25-9-5-4-6-10-25)31(35(40)41-2)23-26-12-8-14-30(22-26)33(36)37/h4-22,31-32H,3,23H2,1-2H3,(H3,36,37)(H,38,39)/b20-15+
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n/an/a 2.60E+3n/an/an/an/an/an/a



Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine trypsin


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50062694
PNG
((E)-3-[(Biphenyl-4-carbonyl)-amino]-2-(3-carbamimi...)
Show SMILES NC(=N)c1cccc(CC(C(NC(=O)c2ccc(cc2)-c2ccccc2)\C=C\c2ccccc2)C(O)=O)c1
Show InChI InChI=1S/C32H29N3O3/c33-30(34)27-13-7-10-23(20-27)21-28(32(37)38)29(19-14-22-8-3-1-4-9-22)35-31(36)26-17-15-25(16-18-26)24-11-5-2-6-12-24/h1-20,28-29H,21H2,(H3,33,34)(H,35,36)(H,37,38)/b19-14+
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n/an/a 2.70E+3n/an/an/an/an/an/a



Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
Trypsin II


(Homo sapiens (human))
BDBM50062683
PNG
((E)-2-(3-Carbamimidoyl-benzyl)-3-[(3'-methyl-biphe...)
Show SMILES COC(=O)C(Cc1cccc(c1)C(N)=N)C(NC(=O)c1ccc(cc1)-c1cccc(C)c1)\C=C\c1ccccc1
Show InChI InChI=1S/C34H33N3O3/c1-23-8-6-12-28(20-23)26-15-17-27(18-16-26)33(38)37-31(19-14-24-9-4-3-5-10-24)30(34(39)40-2)22-25-11-7-13-29(21-25)32(35)36/h3-21,30-31H,22H2,1-2H3,(H3,35,36)(H,37,38)/b19-14+
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Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine trypsin


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50062708
PNG
((E)-2-(3-Carbamimidoyl-benzyl)-3-[(4'-methoxy-biph...)
Show SMILES COC(=O)C(Cc1cccc(c1)C(N)=N)C(NC(=O)c1ccc(cc1)-c1ccc(OC)cc1)\C=C\c1ccccc1
Show InChI InChI=1S/C34H33N3O4/c1-40-29-18-16-26(17-19-29)25-12-14-27(15-13-25)33(38)37-31(20-11-23-7-4-3-5-8-23)30(34(39)41-2)22-24-9-6-10-28(21-24)32(35)36/h3-21,30-31H,22H2,1-2H3,(H3,35,36)(H,37,38)/b20-11+
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Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against human Thrombin


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
Trypsin II


(Homo sapiens (human))
BDBM50062701
PNG
((E)-2-(3-Carbamimidoyl-benzyl)-3-[(4'-ethoxy-biphe...)
Show SMILES CCOc1ccc(cc1)-c1ccc(cc1)C(=O)NC(\C=C\c1ccccc1)C(Cc1cccc(c1)C(N)=N)C(=O)OC
Show InChI InChI=1S/C35H35N3O4/c1-3-42-30-19-17-27(18-20-30)26-13-15-28(16-14-26)34(39)38-32(21-12-24-8-5-4-6-9-24)31(35(40)41-2)23-25-10-7-11-29(22-25)33(36)37/h4-22,31-32H,3,23H2,1-2H3,(H3,36,37)(H,38,39)/b21-12+
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Collegeville

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine trypsin


J Med Chem 41: 437-50 (1998)


Article DOI: 10.1021/jm970482y
BindingDB Entry DOI: 10.7270/Q28W3CFK
More data for this
Ligand-Target Pair
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