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Compile Data Set for Download or QSAR

Found 94 hits Enz. Inhib. hit(s) with all data for entry = 50003606   
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
Serine protease 1


(Bos taurus (bovine))
BDBM16127
PNG
(2,2 -methanediylbis(1H-benzimidazole-6-carboximida...)
Show SMILES NC(=N)c1ccc2nc(Cc3nc4ccc(cc4[nH]3)C(N)=N)[nH]c2c1
Show InChI InChI=1S/C17H16N8/c18-16(19)8-1-3-10-12(5-8)24-14(22-10)7-15-23-11-4-2-9(17(20)21)6-13(11)25-15/h1-6H,7H2,(H3,18,19)(H3,20,21)(H,22,24)(H,23,25)
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17n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against bovine trypsin


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine protease 1


(Bos taurus (bovine))
BDBM50027284
PNG
(2-{4-[5-(4-Carbamimidoyl-phenoxy)-pentyloxy]-pheny...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=N)cc1
Show InChI InChI=1S/C26H28N6O2/c27-24(28)17-4-9-20(10-5-17)33-14-2-1-3-15-34-21-11-6-18(7-12-21)26-31-22-13-8-19(25(29)30)16-23(22)32-26/h4-13,16H,1-3,14-15H2,(H3,27,28)(H3,29,30)(H,31,32)
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1.44E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against bovine trypsin


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50027288
PNG
(2-{4-[3-(4-Carbamimidoyl-phenoxy)-propoxy]-phenyl}...)
Show SMILES NC(=N)c1ccc(OCCCOc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=N)cc1
Show InChI InChI=1S/C24H24N6O2/c25-22(26)15-2-7-18(8-3-15)31-12-1-13-32-19-9-4-16(5-10-19)24-29-20-11-6-17(23(27)28)14-21(20)30-24/h2-11,14H,1,12-13H2,(H3,25,26)(H3,27,28)(H,29,30)
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2.09E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against bovine thrombin


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50027284
PNG
(2-{4-[5-(4-Carbamimidoyl-phenoxy)-pentyloxy]-pheny...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=N)cc1
Show InChI InChI=1S/C26H28N6O2/c27-24(28)17-4-9-20(10-5-17)33-14-2-1-3-15-34-21-11-6-18(7-12-21)26-31-22-13-8-19(25(29)30)16-23(22)32-26/h4-13,16H,1-3,14-15H2,(H3,27,28)(H3,29,30)(H,31,32)
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2.24E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against bovine thrombin


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM16127
PNG
(2,2 -methanediylbis(1H-benzimidazole-6-carboximida...)
Show SMILES NC(=N)c1ccc2nc(Cc3nc4ccc(cc4[nH]3)C(N)=N)[nH]c2c1
Show InChI InChI=1S/C17H16N8/c18-16(19)8-1-3-10-12(5-8)24-14(22-10)7-15-23-11-4-2-9(17(20)21)6-13(11)25-15/h1-6H,7H2,(H3,18,19)(H3,20,21)(H,22,24)(H,23,25)
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2.33E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Urokinase


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM16127
PNG
(2,2 -methanediylbis(1H-benzimidazole-6-carboximida...)
Show SMILES NC(=N)c1ccc2nc(Cc3nc4ccc(cc4[nH]3)C(N)=N)[nH]c2c1
Show InChI InChI=1S/C17H16N8/c18-16(19)8-1-3-10-12(5-8)24-14(22-10)7-15-23-11-4-2-9(17(20)21)6-13(11)25-15/h1-6H,7H2,(H3,18,19)(H3,20,21)(H,22,24)(H,23,25)
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2.65E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against human plasminogen


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50027285
PNG
(2-{4-[2-(4-Carbamimidoyl-phenoxy)-ethoxy]-phenyl}-...)
Show SMILES NC(=N)c1ccc(OCCOc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=N)cc1
Show InChI InChI=1S/C23H22N6O2/c24-21(25)14-1-6-17(7-2-14)30-11-12-31-18-8-3-15(4-9-18)23-28-19-10-5-16(22(26)27)13-20(19)29-23/h1-10,13H,11-12H2,(H3,24,25)(H3,26,27)(H,28,29)
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2.73E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against bovine thrombin


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50027295
PNG
(1-{4-[5-amino(imino)methyl-1H-1-indolyl]butyl}-1H-...)
Show SMILES NC(=N)c1ccc2n(CCCCn3ccc4cc(ccc34)C(N)=N)ccc2c1
Show InChI InChI=1S/C22H24N6/c23-21(24)17-3-5-19-15(13-17)7-11-27(19)9-1-2-10-28-12-8-16-14-18(22(25)26)4-6-20(16)28/h3-8,11-14H,1-2,9-10H2,(H3,23,24)(H3,25,26)
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2.93E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against human plasminogen


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50027288
PNG
(2-{4-[3-(4-Carbamimidoyl-phenoxy)-propoxy]-phenyl}...)
Show SMILES NC(=N)c1ccc(OCCCOc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=N)cc1
Show InChI InChI=1S/C24H24N6O2/c25-22(26)15-2-7-18(8-3-15)31-12-1-13-32-19-9-4-16(5-10-19)24-29-20-11-6-17(23(27)28)14-21(20)30-24/h2-11,14H,1,12-13H2,(H3,25,26)(H3,27,28)(H,29,30)
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2.96E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against bovine trypsin


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50027303
PNG
(2-{4-[4-(4-Carbamimidoyl-phenoxy)-butoxy]-phenyl}-...)
Show SMILES NC(=N)c1ccc(OCCCCOc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=N)cc1
Show InChI InChI=1S/C25H26N6O2/c26-23(27)16-3-8-19(9-4-16)32-13-1-2-14-33-20-10-5-17(6-11-20)25-30-21-12-7-18(24(28)29)15-22(21)31-25/h3-12,15H,1-2,13-14H2,(H3,26,27)(H3,28,29)(H,30,31)
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3.08E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against bovine thrombin


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50027304
PNG
(1-(4-Carbamimidoyl-benzyl)-1H-indole-5-carboxamidi...)
Show SMILES NC(=N)c1ccc(Cn2ccc3cc(ccc23)C(N)=N)cc1
Show InChI InChI=1S/C17H17N5/c18-16(19)12-3-1-11(2-4-12)10-22-8-7-13-9-14(17(20)21)5-6-15(13)22/h1-9H,10H2,(H3,18,19)(H3,20,21)
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3.18E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against bovine trypsin


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50027295
PNG
(1-{4-[5-amino(imino)methyl-1H-1-indolyl]butyl}-1H-...)
Show SMILES NC(=N)c1ccc2n(CCCCn3ccc4cc(ccc34)C(N)=N)ccc2c1
Show InChI InChI=1S/C22H24N6/c23-21(24)17-3-5-19-15(13-17)7-11-27(19)9-1-2-10-28-12-8-16-14-18(22(25)26)4-6-20(16)28/h3-8,11-14H,1-2,9-10H2,(H3,23,24)(H3,25,26)
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3.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against bovine trypsin


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50027297
PNG
(4-(5-Nitro-indol-1-ylmethyl)-benzamidine | CHEMBL1...)
Show SMILES NC(=N)c1ccc(Cn2ccc3cc(ccc23)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H14N4O2/c17-16(18)12-3-1-11(2-4-12)10-19-8-7-13-9-14(20(21)22)5-6-15(13)19/h1-9H,10H2,(H3,17,18)
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3.44E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against bovine trypsin


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50027284
PNG
(2-{4-[5-(4-Carbamimidoyl-phenoxy)-pentyloxy]-pheny...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=N)cc1
Show InChI InChI=1S/C26H28N6O2/c27-24(28)17-4-9-20(10-5-17)33-14-2-1-3-15-34-21-11-6-18(7-12-21)26-31-22-13-8-19(25(29)30)16-23(22)32-26/h4-13,16H,1-3,14-15H2,(H3,27,28)(H3,29,30)(H,31,32)
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3.83E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against human plasminogen


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50027285
PNG
(2-{4-[2-(4-Carbamimidoyl-phenoxy)-ethoxy]-phenyl}-...)
Show SMILES NC(=N)c1ccc(OCCOc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=N)cc1
Show InChI InChI=1S/C23H22N6O2/c24-21(25)14-1-6-17(7-2-14)30-11-12-31-18-8-3-15(4-9-18)23-28-19-10-5-16(22(26)27)13-20(19)29-23/h1-10,13H,11-12H2,(H3,24,25)(H3,26,27)(H,28,29)
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3.90E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against human plasminogen


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50027302
PNG
(2-[4-({5-[(E)-amino(imino)methyl]-1H-benzimidazol-...)
Show SMILES NC(=N)c1ccc2nc(Oc3ccc(cc3)-c3nc4ccc(cc4[nH]3)C(N)=N)[nH]c2c1
Show InChI InChI=1S/C22H18N8O/c23-19(24)12-3-7-15-17(9-12)28-21(27-15)11-1-5-14(6-2-11)31-22-29-16-8-4-13(20(25)26)10-18(16)30-22/h1-10H,(H3,23,24)(H3,25,26)(H,27,28)(H,29,30)
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3.94E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against bovine thrombin


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50027303
PNG
(2-{4-[4-(4-Carbamimidoyl-phenoxy)-butoxy]-phenyl}-...)
Show SMILES NC(=N)c1ccc(OCCCCOc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=N)cc1
Show InChI InChI=1S/C25H26N6O2/c26-23(27)16-3-8-19(9-4-16)32-13-1-2-14-33-20-10-5-17(6-11-20)25-30-21-12-7-18(24(28)29)15-22(21)31-25/h3-12,15H,1-2,13-14H2,(H3,26,27)(H3,28,29)(H,30,31)
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4.01E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against bovine trypsin


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM16127
PNG
(2,2 -methanediylbis(1H-benzimidazole-6-carboximida...)
Show SMILES NC(=N)c1ccc2nc(Cc3nc4ccc(cc4[nH]3)C(N)=N)[nH]c2c1
Show InChI InChI=1S/C17H16N8/c18-16(19)8-1-3-10-12(5-8)24-14(22-10)7-15-23-11-4-2-9(17(20)21)6-13(11)25-15/h1-6H,7H2,(H3,18,19)(H3,20,21)(H,22,24)(H,23,25)
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4.15E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against bovine thrombin


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50027303
PNG
(2-{4-[4-(4-Carbamimidoyl-phenoxy)-butoxy]-phenyl}-...)
Show SMILES NC(=N)c1ccc(OCCCCOc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=N)cc1
Show InChI InChI=1S/C25H26N6O2/c26-23(27)16-3-8-19(9-4-16)32-13-1-2-14-33-20-10-5-17(6-11-20)25-30-21-12-7-18(24(28)29)15-22(21)31-25/h3-12,15H,1-2,13-14H2,(H3,26,27)(H3,28,29)(H,30,31)
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4.47E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Urokinase


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50027305
PNG
(4-Indol-1-ylmethyl-benzamidine | CHEMBL100569)
Show SMILES NC(=N)c1ccc(Cn2ccc3ccccc23)cc1
Show InChI InChI=1S/C16H15N3/c17-16(18)14-7-5-12(6-8-14)11-19-10-9-13-3-1-2-4-15(13)19/h1-10H,11H2,(H3,17,18)
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4.59E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against bovine trypsin


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50027302
PNG
(2-[4-({5-[(E)-amino(imino)methyl]-1H-benzimidazol-...)
Show SMILES NC(=N)c1ccc2nc(Oc3ccc(cc3)-c3nc4ccc(cc4[nH]3)C(N)=N)[nH]c2c1
Show InChI InChI=1S/C22H18N8O/c23-19(24)12-3-7-15-17(9-12)28-21(27-15)11-1-5-14(6-2-11)31-22-29-16-8-4-13(20(25)26)10-18(16)30-22/h1-10H,(H3,23,24)(H3,25,26)(H,27,28)(H,29,30)
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4.67E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against bovine trypsin


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50027290
PNG
(1-(2-Amino-4-nitro-benzyl)-1H-indole-5-carboxamidi...)
Show SMILES NC(=N)c1ccc2n(Cc3ccc(cc3N)[N+]([O-])=O)ccc2c1
Show InChI InChI=1S/C16H15N5O2/c17-14-8-13(21(22)23)3-1-12(14)9-20-6-5-10-7-11(16(18)19)2-4-15(10)20/h1-8H,9,17H2,(H3,18,19)
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4.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against bovine thrombin


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50027290
PNG
(1-(2-Amino-4-nitro-benzyl)-1H-indole-5-carboxamidi...)
Show SMILES NC(=N)c1ccc2n(Cc3ccc(cc3N)[N+]([O-])=O)ccc2c1
Show InChI InChI=1S/C16H15N5O2/c17-14-8-13(21(22)23)3-1-12(14)9-20-6-5-10-7-11(16(18)19)2-4-15(10)20/h1-8H,9,17H2,(H3,18,19)
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5.31E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against bovine trypsin


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50027287
PNG
(1-(4-Carbamimidoyl-2-chloro-benzyl)-1H-indole-5-ca...)
Show SMILES NC(=N)c1ccc(Cn2ccc3cc(ccc23)C(N)=N)c(Cl)c1
Show InChI InChI=1S/C17H16ClN5/c18-14-8-12(17(21)22)1-2-13(14)9-23-6-5-10-7-11(16(19)20)3-4-15(10)23/h1-8H,9H2,(H3,19,20)(H3,21,22)
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5.31E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against bovine trypsin


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50027285
PNG
(2-{4-[2-(4-Carbamimidoyl-phenoxy)-ethoxy]-phenyl}-...)
Show SMILES NC(=N)c1ccc(OCCOc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=N)cc1
Show InChI InChI=1S/C23H22N6O2/c24-21(25)14-1-6-17(7-2-14)30-11-12-31-18-8-3-15(4-9-18)23-28-19-10-5-16(22(26)27)13-20(19)29-23/h1-10,13H,11-12H2,(H3,24,25)(H3,26,27)(H,28,29)
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5.98E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against bovine trypsin


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50027293
PNG
(1-(3-Nitro-benzyl)-1H-indole-5-carboxamidine | CHE...)
Show SMILES NC(=N)c1ccc2n(Cc3cccc(c3)[N+]([O-])=O)ccc2c1
Show InChI InChI=1S/C16H14N4O2/c17-16(18)13-4-5-15-12(9-13)6-7-19(15)10-11-2-1-3-14(8-11)20(21)22/h1-9H,10H2,(H3,17,18)
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6.39E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against bovine thrombin


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50027306
PNG
(1H-Indole-5-carboxamidine | CHEMBL26490)
Show SMILES NC(=N)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C9H9N3/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-5,12H,(H3,10,11)
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7.68E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against bovine thrombin


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50027293
PNG
(1-(3-Nitro-benzyl)-1H-indole-5-carboxamidine | CHE...)
Show SMILES NC(=N)c1ccc2n(Cc3cccc(c3)[N+]([O-])=O)ccc2c1
Show InChI InChI=1S/C16H14N4O2/c17-16(18)13-4-5-15-12(9-13)6-7-19(15)10-11-2-1-3-14(8-11)20(21)22/h1-9H,10H2,(H3,17,18)
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7.77E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against bovine trypsin


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50027284
PNG
(2-{4-[5-(4-Carbamimidoyl-phenoxy)-pentyloxy]-pheny...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=N)cc1
Show InChI InChI=1S/C26H28N6O2/c27-24(28)17-4-9-20(10-5-17)33-14-2-1-3-15-34-21-11-6-18(7-12-21)26-31-22-13-8-19(25(29)30)16-23(22)32-26/h4-13,16H,1-3,14-15H2,(H3,27,28)(H3,29,30)(H,31,32)
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8.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Urokinase


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50027303
PNG
(2-{4-[4-(4-Carbamimidoyl-phenoxy)-butoxy]-phenyl}-...)
Show SMILES NC(=N)c1ccc(OCCCCOc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=N)cc1
Show InChI InChI=1S/C25H26N6O2/c26-23(27)16-3-8-19(9-4-16)32-13-1-2-14-33-20-10-5-17(6-11-20)25-30-21-12-7-18(24(28)29)15-22(21)31-25/h3-12,15H,1-2,13-14H2,(H3,26,27)(H3,28,29)(H,30,31)
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8.18E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against human plasminogen


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50027288
PNG
(2-{4-[3-(4-Carbamimidoyl-phenoxy)-propoxy]-phenyl}...)
Show SMILES NC(=N)c1ccc(OCCCOc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=N)cc1
Show InChI InChI=1S/C24H24N6O2/c25-22(26)15-2-7-18(8-3-15)31-12-1-13-32-19-9-4-16(5-10-19)24-29-20-11-6-17(23(27)28)14-21(20)30-24/h2-11,14H,1,12-13H2,(H3,25,26)(H3,27,28)(H,29,30)
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8.19E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against human plasminogen


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50027291
PNG
(1-(3-Carbamimidoyl-benzyl)-1H-indole-5-carboxamidi...)
Show SMILES NC(=N)c1cccc(Cn2ccc3cc(ccc23)C(N)=N)c1
Show InChI InChI=1S/C17H17N5/c18-16(19)13-3-1-2-11(8-13)10-22-7-6-12-9-14(17(20)21)4-5-15(12)22/h1-9H,10H2,(H3,18,19)(H3,20,21)
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8.29E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against bovine trypsin


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50027295
PNG
(1-{4-[5-amino(imino)methyl-1H-1-indolyl]butyl}-1H-...)
Show SMILES NC(=N)c1ccc2n(CCCCn3ccc4cc(ccc34)C(N)=N)ccc2c1
Show InChI InChI=1S/C22H24N6/c23-21(24)17-3-5-19-15(13-17)7-11-27(19)9-1-2-10-28-12-8-16-14-18(22(25)26)4-6-20(16)28/h3-8,11-14H,1-2,9-10H2,(H3,23,24)(H3,25,26)
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9.96E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Urokinase


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50027296
PNG
(3-Formyl-1H-indole-6-carboxamidine | CHEMBL317713)
Show SMILES NC(=N)c1ccc2c(C=O)c[nH]c2c1
Show InChI InChI=1S/C10H9N3O/c11-10(12)6-1-2-8-7(5-14)4-13-9(8)3-6/h1-5,13H,(H3,11,12)
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1.06E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Urokinase


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50027295
PNG
(1-{4-[5-amino(imino)methyl-1H-1-indolyl]butyl}-1H-...)
Show SMILES NC(=N)c1ccc2n(CCCCn3ccc4cc(ccc34)C(N)=N)ccc2c1
Show InChI InChI=1S/C22H24N6/c23-21(24)17-3-5-19-15(13-17)7-11-27(19)9-1-2-10-28-12-8-16-14-18(22(25)26)4-6-20(16)28/h3-8,11-14H,1-2,9-10H2,(H3,23,24)(H3,25,26)
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1.11E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against bovine thrombin


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50027285
PNG
(2-{4-[2-(4-Carbamimidoyl-phenoxy)-ethoxy]-phenyl}-...)
Show SMILES NC(=N)c1ccc(OCCOc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=N)cc1
Show InChI InChI=1S/C23H22N6O2/c24-21(25)14-1-6-17(7-2-14)30-11-12-31-18-8-3-15(4-9-18)23-28-19-10-5-16(22(26)27)13-20(19)29-23/h1-10,13H,11-12H2,(H3,24,25)(H3,26,27)(H,28,29)
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1.20E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Urokinase


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50027305
PNG
(4-Indol-1-ylmethyl-benzamidine | CHEMBL100569)
Show SMILES NC(=N)c1ccc(Cn2ccc3ccccc23)cc1
Show InChI InChI=1S/C16H15N3/c17-16(18)14-7-5-12(6-8-14)11-19-10-9-13-3-1-2-4-15(13)19/h1-10H,11H2,(H3,17,18)
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1.31E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against bovine thrombin


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50027301
PNG
(2-Propionyl-1H-indole-6-carboxamidine | CHEMBL3219...)
Show SMILES CCC(=O)c1cc2ccc(cc2[nH]1)C(N)=N
Show InChI InChI=1S/C12H13N3O/c1-2-11(16)10-5-7-3-4-8(12(13)14)6-9(7)15-10/h3-6,15H,2H2,1H3,(H3,13,14)
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1.53E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against bovine trypsin


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50027286
PNG
(1-Benzyl-1H-indole-5-carboxamidine | CHEMBL101343)
Show SMILES NC(=N)c1ccc2n(Cc3ccccc3)ccc2c1
Show InChI InChI=1S/C16H15N3/c17-16(18)14-6-7-15-13(10-14)8-9-19(15)11-12-4-2-1-3-5-12/h1-10H,11H2,(H3,17,18)
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1.54E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against bovine trypsin


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50027298
PNG
(1-(3-Amino-benzyl)-1H-indole-5-carboxamidine | CHE...)
Show SMILES NC(=N)c1ccc2n(Cc3cccc(N)c3)ccc2c1
Show InChI InChI=1S/C16H16N4/c17-14-3-1-2-11(8-14)10-20-7-6-12-9-13(16(18)19)4-5-15(12)20/h1-9H,10,17H2,(H3,18,19)
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1.54E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against bovine thrombin


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50027298
PNG
(1-(3-Amino-benzyl)-1H-indole-5-carboxamidine | CHE...)
Show SMILES NC(=N)c1ccc2n(Cc3cccc(N)c3)ccc2c1
Show InChI InChI=1S/C16H16N4/c17-14-3-1-2-11(8-14)10-20-7-6-12-9-13(16(18)19)4-5-15(12)20/h1-9H,10,17H2,(H3,18,19)
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1.68E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against bovine trypsin


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50027288
PNG
(2-{4-[3-(4-Carbamimidoyl-phenoxy)-propoxy]-phenyl}...)
Show SMILES NC(=N)c1ccc(OCCCOc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=N)cc1
Show InChI InChI=1S/C24H24N6O2/c25-22(26)15-2-7-18(8-3-15)31-12-1-13-32-19-9-4-16(5-10-19)24-29-20-11-6-17(23(27)28)14-21(20)30-24/h2-11,14H,1,12-13H2,(H3,25,26)(H3,27,28)(H,29,30)
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1.78E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Urokinase


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50027287
PNG
(1-(4-Carbamimidoyl-2-chloro-benzyl)-1H-indole-5-ca...)
Show SMILES NC(=N)c1ccc(Cn2ccc3cc(ccc23)C(N)=N)c(Cl)c1
Show InChI InChI=1S/C17H16ClN5/c18-14-8-12(17(21)22)1-2-13(14)9-23-6-5-10-7-11(16(19)20)3-4-15(10)23/h1-8H,9H2,(H3,19,20)(H3,21,22)
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1.90E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Urokinase


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50027286
PNG
(1-Benzyl-1H-indole-5-carboxamidine | CHEMBL101343)
Show SMILES NC(=N)c1ccc2n(Cc3ccccc3)ccc2c1
Show InChI InChI=1S/C16H15N3/c17-16(18)14-6-7-15-13(10-14)8-9-19(15)11-12-4-2-1-3-5-12/h1-10H,11H2,(H3,17,18)
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2.01E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against bovine thrombin


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50027291
PNG
(1-(3-Carbamimidoyl-benzyl)-1H-indole-5-carboxamidi...)
Show SMILES NC(=N)c1cccc(Cn2ccc3cc(ccc23)C(N)=N)c1
Show InChI InChI=1S/C17H17N5/c18-16(19)13-3-1-2-11(8-13)10-22-7-6-12-9-14(17(20)21)4-5-15(12)22/h1-9H,10H2,(H3,18,19)(H3,20,21)
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2.24E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against bovine thrombin


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50027298
PNG
(1-(3-Amino-benzyl)-1H-indole-5-carboxamidine | CHE...)
Show SMILES NC(=N)c1ccc2n(Cc3cccc(N)c3)ccc2c1
Show InChI InChI=1S/C16H16N4/c17-14-3-1-2-11(8-14)10-20-7-6-12-9-13(16(18)19)4-5-15(12)20/h1-9H,10,17H2,(H3,18,19)
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2.44E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Urokinase; Irregular


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50027304
PNG
(1-(4-Carbamimidoyl-benzyl)-1H-indole-5-carboxamidi...)
Show SMILES NC(=N)c1ccc(Cn2ccc3cc(ccc23)C(N)=N)cc1
Show InChI InChI=1S/C17H17N5/c18-16(19)12-3-1-11(2-4-12)10-22-8-7-13-9-14(17(20)21)5-6-15(13)22/h1-9H,10H2,(H3,18,19)(H3,20,21)
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2.48E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against bovine thrombin


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50027296
PNG
(3-Formyl-1H-indole-6-carboxamidine | CHEMBL317713)
Show SMILES NC(=N)c1ccc2c(C=O)c[nH]c2c1
Show InChI InChI=1S/C10H9N3O/c11-10(12)6-1-2-8-7(5-14)4-13-9(8)3-6/h1-5,13H,(H3,11,12)
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2.55E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against bovine trypsin


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50027305
PNG
(4-Indol-1-ylmethyl-benzamidine | CHEMBL100569)
Show SMILES NC(=N)c1ccc(Cn2ccc3ccccc23)cc1
Show InChI InChI=1S/C16H15N3/c17-16(18)14-7-5-12(6-8-14)11-19-10-9-13-3-1-2-4-15(13)19/h1-10H,11H2,(H3,17,18)
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2.56E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Urokinase


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50027304
PNG
(1-(4-Carbamimidoyl-benzyl)-1H-indole-5-carboxamidi...)
Show SMILES NC(=N)c1ccc(Cn2ccc3cc(ccc23)C(N)=N)cc1
Show InChI InChI=1S/C17H17N5/c18-16(19)12-3-1-11(2-4-12)10-22-8-7-13-9-14(17(20)21)5-6-15(13)22/h1-9H,10H2,(H3,18,19)(H3,20,21)
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2.65E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Urokinase


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
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