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Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for entry = 50011201   
Target/Host
(Institution)
LigandTarget/Host
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 VII/Tissue factor


(Homo sapiens (Human))
BDBM50103651
PNG
(2-(3'-Amino-5-chloro-2-hydroxy-biphenyl-3-yl)-1H-b...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(Cl)cc(-c2cccc(N)c2)c1O
Show InChI InChI=1S/C20H16ClN5O/c21-12-8-14(10-2-1-3-13(22)6-10)18(27)15(9-12)20-25-16-5-4-11(19(23)24)7-17(16)26-20/h1-9,27H,22H2,(H3,23,24)(H,25,26)
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0.0780n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for factor VIIa/TF


Bioorg Med Chem Lett 11: 2253-6 (2001)


BindingDB Entry DOI: 10.7270/Q2XG9QD9
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50103651
PNG
(2-(3'-Amino-5-chloro-2-hydroxy-biphenyl-3-yl)-1H-b...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(Cl)cc(-c2cccc(N)c2)c1O
Show InChI InChI=1S/C20H16ClN5O/c21-12-8-14(10-2-1-3-13(22)6-10)18(27)15(9-12)20-25-16-5-4-11(19(23)24)7-17(16)26-20/h1-9,27H,22H2,(H3,23,24)(H,25,26)
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0.460n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 11: 2253-6 (2001)


BindingDB Entry DOI: 10.7270/Q2XG9QD9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50103651
PNG
(2-(3'-Amino-5-chloro-2-hydroxy-biphenyl-3-yl)-1H-b...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(Cl)cc(-c2cccc(N)c2)c1O
Show InChI InChI=1S/C20H16ClN5O/c21-12-8-14(10-2-1-3-13(22)6-10)18(27)15(9-12)20-25-16-5-4-11(19(23)24)7-17(16)26-20/h1-9,27H,22H2,(H3,23,24)(H,25,26)
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0.5n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Coagulation factor X


Bioorg Med Chem Lett 11: 2253-6 (2001)


BindingDB Entry DOI: 10.7270/Q2XG9QD9
More data for this
Ligand-Target Pair
Coagulation factor VII/Tissue factor


(Homo sapiens (Human))
BDBM50103655
PNG
(CHEMBL72231 | Phosphoric acid mono-{2-[5-(5-carbam...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(CCO[P+](O)(O)[O-])cc(c1O)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H21N4O7P/c24-23(25)15-4-5-20-16(10-15)12-21(26-20)19-9-13(6-7-34-35(31,32)33)8-18(22(19)28)14-2-1-3-17(11-14)27(29)30/h1-5,8-12,26,28H,6-7H2,(H3,24,25)(H2,31,32,33)
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3n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for factor VIIa/TF


Bioorg Med Chem Lett 11: 2253-6 (2001)


BindingDB Entry DOI: 10.7270/Q2XG9QD9
More data for this
Ligand-Target Pair
Coagulation factor VII/Tissue factor


(Homo sapiens (Human))
BDBM13778
PNG
(2-[3-(5-carbamimidoyl-1H-indol-2-yl)-4-hydroxy-5-(...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(CC(O)=O)cc(c1O)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H18N4O5/c24-23(25)14-4-5-19-15(9-14)11-20(26-19)18-7-12(8-21(28)29)6-17(22(18)30)13-2-1-3-16(10-13)27(31)32/h1-7,9-11,26,30H,8H2,(H3,24,25)(H,28,29)
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3n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for factor VIIa/TF


Bioorg Med Chem Lett 11: 2253-6 (2001)


BindingDB Entry DOI: 10.7270/Q2XG9QD9
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50103651
PNG
(2-(3'-Amino-5-chloro-2-hydroxy-biphenyl-3-yl)-1H-b...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(Cl)cc(-c2cccc(N)c2)c1O
Show InChI InChI=1S/C20H16ClN5O/c21-12-8-14(10-2-1-3-13(22)6-10)18(27)15(9-12)20-25-16-5-4-11(19(23)24)7-17(16)26-20/h1-9,27H,22H2,(H3,23,24)(H,25,26)
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3.20n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Plasmin


Bioorg Med Chem Lett 11: 2253-6 (2001)


BindingDB Entry DOI: 10.7270/Q2XG9QD9
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50103651
PNG
(2-(3'-Amino-5-chloro-2-hydroxy-biphenyl-3-yl)-1H-b...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(Cl)cc(-c2cccc(N)c2)c1O
Show InChI InChI=1S/C20H16ClN5O/c21-12-8-14(10-2-1-3-13(22)6-10)18(27)15(9-12)20-25-16-5-4-11(19(23)24)7-17(16)26-20/h1-9,27H,22H2,(H3,23,24)(H,25,26)
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4.20n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Coagulation factor II


Bioorg Med Chem Lett 11: 2253-6 (2001)


BindingDB Entry DOI: 10.7270/Q2XG9QD9
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM50103651
PNG
(2-(3'-Amino-5-chloro-2-hydroxy-biphenyl-3-yl)-1H-b...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(Cl)cc(-c2cccc(N)c2)c1O
Show InChI InChI=1S/C20H16ClN5O/c21-12-8-14(10-2-1-3-13(22)6-10)18(27)15(9-12)20-25-16-5-4-11(19(23)24)7-17(16)26-20/h1-9,27H,22H2,(H3,23,24)(H,25,26)
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4.70n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Trypsin


Bioorg Med Chem Lett 11: 2253-6 (2001)


BindingDB Entry DOI: 10.7270/Q2XG9QD9
More data for this
Ligand-Target Pair
Coagulation factor VII/Tissue factor


(Homo sapiens (Human))
BDBM50103652
PNG
(5-(5-Carbamimidoyl-1H-indol-2-yl)-6-hydroxy-3'-nit...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(cc(c1O)-c1cccc(c1)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C22H16N4O5/c23-21(24)12-4-5-18-13(6-12)10-19(25-18)17-9-14(22(28)29)8-16(20(17)27)11-2-1-3-15(7-11)26(30)31/h1-10,25,27H,(H3,23,24)(H,28,29)
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5n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for factor VIIa/TF


Bioorg Med Chem Lett 11: 2253-6 (2001)


BindingDB Entry DOI: 10.7270/Q2XG9QD9
More data for this
Ligand-Target Pair
Coagulation factor VII/Tissue factor


(Homo sapiens (Human))
BDBM50103662
PNG
(CHEMBL73162 | [3'-Amino-5-(5-carbamimidoyl-1H-indo...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(CC(O)=O)cc(c1O)-c1cccc(N)c1
Show InChI InChI=1S/C23H20N4O3/c24-16-3-1-2-13(10-16)17-6-12(8-21(28)29)7-18(22(17)30)20-11-15-9-14(23(25)26)4-5-19(15)27-20/h1-7,9-11,27,30H,8,24H2,(H3,25,26)(H,28,29)
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12n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for factor VIIa/TF


Bioorg Med Chem Lett 11: 2253-6 (2001)


BindingDB Entry DOI: 10.7270/Q2XG9QD9
More data for this
Ligand-Target Pair
Coagulation factor VII/Tissue factor


(Homo sapiens (Human))
BDBM50103660
PNG
(3-[5-(5-Carbamimidoyl-1H-indol-2-yl)-6-hydroxy-3'-...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(CCC(O)=O)cc(c1O)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C24H20N4O5/c25-24(26)15-5-6-20-16(10-15)12-21(27-20)19-9-13(4-7-22(29)30)8-18(23(19)31)14-2-1-3-17(11-14)28(32)33/h1-3,5-6,8-12,27,31H,4,7H2,(H3,25,26)(H,29,30)
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27n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for factor VIIa/TF


Bioorg Med Chem Lett 11: 2253-6 (2001)


BindingDB Entry DOI: 10.7270/Q2XG9QD9
More data for this
Ligand-Target Pair
Coagulation factor VII/Tissue factor


(Homo sapiens (Human))
BDBM50103654
PNG
(CHEMBL310933 | [5-(5-Carbamimidoyl-1H-indol-2-yl)-...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(CC(O)=O)cc(c1O)-c1cccc(Cl)c1
Show InChI InChI=1S/C23H18ClN3O3/c24-16-3-1-2-13(10-16)17-6-12(8-21(28)29)7-18(22(17)30)20-11-15-9-14(23(25)26)4-5-19(15)27-20/h1-7,9-11,27,30H,8H2,(H3,25,26)(H,28,29)
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33n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for factor VIIa/TF


Bioorg Med Chem Lett 11: 2253-6 (2001)


BindingDB Entry DOI: 10.7270/Q2XG9QD9
More data for this
Ligand-Target Pair
Coagulation factor VII/Tissue factor


(Homo sapiens (Human))
BDBM50103656
PNG
(CHEMBL73411 | [5-(5-Carbamimidoyl-1H-indol-2-yl)-6...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(CC(O)=O)cc(c1O)-c1ccccc1
Show InChI InChI=1S/C23H19N3O3/c24-23(25)15-6-7-19-16(11-15)12-20(26-19)18-9-13(10-21(27)28)8-17(22(18)29)14-4-2-1-3-5-14/h1-9,11-12,26,29H,10H2,(H3,24,25)(H,27,28)
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41n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for factor VIIa/TF


Bioorg Med Chem Lett 11: 2253-6 (2001)


BindingDB Entry DOI: 10.7270/Q2XG9QD9
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50103653
PNG
(2-[2-Hydroxy-3'-nitro-5-(2H-tetrazol-5-yl)-bipheny...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(cc(c1O)-c1cccc(c1)[N+]([O-])=O)-c1nnn[nH]1
Show InChI InChI=1S/C22H16N8O3/c23-21(24)12-4-5-18-13(6-12)10-19(25-18)17-9-14(22-26-28-29-27-22)8-16(20(17)31)11-2-1-3-15(7-11)30(32)33/h1-10,25,31H,(H3,23,24)(H,26,27,28,29)
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50n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards factor VIIa/TF was determined


Bioorg Med Chem Lett 11: 2253-6 (2001)


BindingDB Entry DOI: 10.7270/Q2XG9QD9
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50103658
PNG
(2-Amino-3-[5-(5-carbamimidoyl-1H-indol-2-yl)-6-hyd...)
Show SMILES NC(Cc1cc(-c2cc3cc(ccc3[nH]2)C(N)=N)c(O)c(c1)-c1cccc(c1)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C24H21N5O5/c25-19(24(31)32)8-12-6-17(13-2-1-3-16(10-13)29(33)34)22(30)18(7-12)21-11-15-9-14(23(26)27)4-5-20(15)28-21/h1-7,9-11,19,28,30H,8,25H2,(H3,26,27)(H,31,32)
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50n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards factor VIIa/TF was determined


Bioorg Med Chem Lett 11: 2253-6 (2001)


BindingDB Entry DOI: 10.7270/Q2XG9QD9
More data for this
Ligand-Target Pair
Coagulation factor VII/Tissue factor


(Homo sapiens (Human))
BDBM50103663
PNG
(3'-(5-Carbamimidoyl-1H-indol-2-yl)-5'-carboxymethy...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(CC(O)=O)cc(c1O)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C24H19N3O5/c25-23(26)14-4-5-19-16(10-14)11-20(27-19)18-7-12(8-21(28)29)6-17(22(18)30)13-2-1-3-15(9-13)24(31)32/h1-7,9-11,27,30H,8H2,(H3,25,26)(H,28,29)(H,31,32)
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320n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for factor VIIa/TF


Bioorg Med Chem Lett 11: 2253-6 (2001)


BindingDB Entry DOI: 10.7270/Q2XG9QD9
More data for this
Ligand-Target Pair
Coagulation factor VII/Tissue factor


(Homo sapiens (Human))
BDBM50103657
PNG
(CHEMBL421303 | [3'-Carbamimidoyl-5-(5-carbamimidoy...)
Show SMILES NC(=N)c1cccc(c1)-c1cc(CC(O)=O)cc(-c2cc3cc(ccc3[nH]2)C(N)=N)c1O
Show InChI InChI=1S/C24H21N5O3/c25-23(26)14-3-1-2-13(9-14)17-6-12(8-21(30)31)7-18(22(17)32)20-11-16-10-15(24(27)28)4-5-19(16)29-20/h1-7,9-11,29,32H,8H2,(H3,25,26)(H3,27,28)(H,30,31)
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430n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for factor VIIa/TF


Bioorg Med Chem Lett 11: 2253-6 (2001)


BindingDB Entry DOI: 10.7270/Q2XG9QD9
More data for this
Ligand-Target Pair
Coagulation factor VII/Tissue factor


(Homo sapiens (Human))
BDBM50103661
PNG
(CHEMBL430990 | [5-(5-Carbamimidoyl-1H-indol-2-yl)-...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(CC(O)=O)cc(c1O)-c1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C24H19N7O3/c25-23(26)14-4-5-19-16(10-14)11-20(27-19)18-7-12(8-21(32)33)6-17(22(18)34)13-2-1-3-15(9-13)24-28-30-31-29-24/h1-7,9-11,27,34H,8H2,(H3,25,26)(H,32,33)(H,28,29,30,31)
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480n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for factor VIIa/TF


Bioorg Med Chem Lett 11: 2253-6 (2001)


BindingDB Entry DOI: 10.7270/Q2XG9QD9
More data for this
Ligand-Target Pair
Coagulation factor VII/Tissue factor


(Homo sapiens (Human))
BDBM50103659
PNG
(CHEMBL74177 | [5-(5-Carbamimidoyl-1H-indol-2-yl)-6...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(CC(O)=O)cc(c1O)-c1cccc(OP(O)(O)=O)c1
Show InChI InChI=1S/C23H20N3O7P/c24-23(25)14-4-5-19-15(9-14)11-20(26-19)18-7-12(8-21(27)28)6-17(22(18)29)13-2-1-3-16(10-13)33-34(30,31)32/h1-7,9-11,26,29H,8H2,(H3,24,25)(H,27,28)(H2,30,31,32)
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950n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for factor VIIa/TF


Bioorg Med Chem Lett 11: 2253-6 (2001)


BindingDB Entry DOI: 10.7270/Q2XG9QD9
More data for this
Ligand-Target Pair