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Articleid 50034879

Compile data set for download or QSAR
Found 48 hits of Enzyme Inhibition Constant Data   
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
Prothrombin


(Homo sapiens (Human))		BDBM50037996
PNG
(1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimido...)
Show SMILES NC(=N)c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C27H31N5O4S/c28-26(29)21-10-8-19(9-11-21)16-24(27(34)32-14-4-1-5-15-32)31-25(33)18-30-37(35,36)23-13-12-20-6-2-3-7-22(20)17-23/h2-3,6-13,17,24,30H,1,4-5,14-16,18H2,(H3,28,29)(H,31,33)/t24-/m1/s1
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 6n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of human Thrombin at 25 degree C and pH 7.5.

Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prothrombin


(Homo sapiens (Human))		BDBM50070596
PNG
(CHEMBL282549 | N-Methyl-N-{3-[2-(pyridin-4-ylamino...)
Show SMILES CN(c1cccc(OCCNc2ccncc2)c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H21N3O3S/c1-23(27(24,25)20-8-3-2-4-9-20)18-6-5-7-19(16-18)26-15-14-22-17-10-12-21-13-11-17/h2-13,16H,14-15H2,1H3,(H,21,22)
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 70n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of human Thrombin at 25 degree C and pH 7.5.

Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50289376
PNG
(2-(Naphthalene-2-sulfonylamino)-N-[(R)-1-(piperidi...)
Show SMILES O=C(CNS(=O)(=O)c1ccc2ccccc2c1)N[C@H](CCNc1ccncc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C26H31N5O4S/c32-25(19-29-36(34,35)23-9-8-20-6-2-3-7-21(20)18-23)30-24(26(33)31-16-4-1-5-17-31)12-15-28-22-10-13-27-14-11-22/h2-3,6-11,13-14,18,24,29H,1,4-5,12,15-17,19H2,(H,27,28)(H,30,32)/t24-/m1/s1
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 200n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of human Thrombin at 25 degree C and pH 7.5.

Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50070632
PNG
(4-[2-(3-Benzenesulfonylamino-phenoxy)-ethylamino]-...)
Show SMILES O=S(=O)(Nc1cccc(OCCNc2ccncc2)c1)c1ccccc1
Show InChI InChI=1S/C19H19N3O3S/c23-26(24,19-7-2-1-3-8-19)22-17-5-4-6-18(15-17)25-14-13-21-16-9-11-20-12-10-16/h1-12,15,22H,13-14H2,(H,20,21)
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 300n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of human Thrombin at 25 degree C and pH 7.5.

Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50037996
PNG
(1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimido...)
Show SMILES NC(=N)c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C27H31N5O4S/c28-26(29)21-10-8-19(9-11-21)16-24(27(34)32-14-4-1-5-15-32)31-25(33)18-30-37(35,36)23-13-12-20-6-2-3-7-22(20)17-23/h2-3,6-13,17,24,30H,1,4-5,14-16,18H2,(H3,28,29)(H,31,33)/t24-/m1/s1
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 690n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of bovine trypsin at 25 degree C and pH 7.5.

Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prothrombin


(Homo sapiens (Human))		BDBM50126700
PNG
(4-Chloro-N-{3-[2-(pyridin-4-ylamino)-ethoxy]-pheny...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)Nc1cccc(OCCNc2ccncc2)c1
Show InChI InChI=1S/C19H18ClN3O3S/c20-15-4-6-19(7-5-15)27(24,25)23-17-2-1-3-18(14-17)26-13-12-22-16-8-10-21-11-9-16/h1-11,14,23H,12-13H2,(H,21,22)
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 700n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of human Thrombin at 25 degree C and pH 7.5.

Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50289377
PNG
(4-{3-[2-(4-Chloro-benzenesulfonylamino)-ethyl]-phe...)
Show SMILES NC(=N)c1ccc(COc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)cc1
Show InChI InChI=1S/C22H22ClN3O3S/c23-19-8-10-21(11-9-19)30(27,28)26-13-12-16-2-1-3-20(14-16)29-15-17-4-6-18(7-5-17)22(24)25/h1-11,14,26H,12-13,15H2,(H3,24,25)
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 1.50E+3n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of human Thrombin at 25 degree C and pH 7.5.

Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50289377
PNG
(4-{3-[2-(4-Chloro-benzenesulfonylamino)-ethyl]-phe...)
Show SMILES NC(=N)c1ccc(COc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)cc1
Show InChI InChI=1S/C22H22ClN3O3S/c23-19-8-10-21(11-9-19)30(27,28)26-13-12-16-2-1-3-20(14-16)29-15-17-4-6-18(7-5-17)22(24)25/h1-11,14,26H,12-13,15H2,(H3,24,25)
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 1.70E+3n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of bovine trypsin at 25 degree C and pH 7.5.

Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50289373
PNG
(2-(4-Chloro-benzenesulfonylamino)-N-[(R)-1-(piperi...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)NCC(=O)N[C@H](CCNc1ccncc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C22H28ClN5O4S/c23-17-4-6-19(7-5-17)33(31,32)26-16-21(29)27-20(22(30)28-14-2-1-3-15-28)10-13-25-18-8-11-24-12-9-18/h4-9,11-12,20,26H,1-3,10,13-16H2,(H,24,25)(H,27,29)/t20-/m1/s1
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 2.00E+3n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of human Thrombin at 25 degree C and pH 7.5.

Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50289382
PNG
(4-Chloro-N-(2-{3-[2-(pyridin-4-ylamino)-ethoxy]-ph...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)NCCc1cccc(OCCNc2ccncc2)c1
Show InChI InChI=1S/C21H22ClN3O3S/c22-18-4-6-21(7-5-18)29(26,27)25-13-8-17-2-1-3-20(16-17)28-15-14-24-19-9-11-23-12-10-19/h1-7,9-12,16,25H,8,13-15H2,(H,23,24)
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 2.80E+3n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of human Thrombin at 25 degree C and pH 7.5.

Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50289381
PNG
(CHEMBL23246 | Naphthalene-2-sulfonic acid {3-[2-(p...)
Show SMILES O=S(=O)(Nc1cccc(OCCNc2ccncc2)c1)c1ccc2ccccc2c1
Show InChI InChI=1S/C23H21N3O3S/c27-30(28,23-9-8-18-4-1-2-5-19(18)16-23)26-21-6-3-7-22(17-21)29-15-14-25-20-10-12-24-13-11-20/h1-13,16-17,26H,14-15H2,(H,24,25)
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 7.00E+3n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of human Thrombin at 25 degree C and pH 7.5.

Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50289375
PNG
(2-Benzenesulfonylamino-N-[(R)-1-(piperidine-1-carb...)
Show SMILES O=C(CNS(=O)(=O)c1ccccc1)N[C@H](CCNc1ccncc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C22H29N5O4S/c28-21(17-25-32(30,31)19-7-3-1-4-8-19)26-20(22(29)27-15-5-2-6-16-27)11-14-24-18-9-12-23-13-10-18/h1,3-4,7-10,12-13,20,25H,2,5-6,11,14-17H2,(H,23,24)(H,26,28)/t20-/m1/s1
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 1.00E+4n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of human Thrombin at 25 degree C and pH 7.5.

Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50289379
PNG
(CHEMBL23243 | Pyridin-4-yl-(2-m-tolyloxy-ethyl)-am...)
Show SMILES Cc1cccc(OCCNc2ccncc2)c1
Show InChI InChI=1S/C14H16N2O/c1-12-3-2-4-14(11-12)17-10-9-16-13-5-7-15-8-6-13/h2-8,11H,9-10H2,1H3,(H,15,16)
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 3.00E+4n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of human Thrombin at 25 degree C and pH 7.5.

Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50037996
PNG
(1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimido...)
Show SMILES NC(=N)c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C27H31N5O4S/c28-26(29)21-10-8-19(9-11-21)16-24(27(34)32-14-4-1-5-15-32)31-25(33)18-30-37(35,36)23-13-12-20-6-2-3-7-22(20)17-23/h2-3,6-13,17,24,30H,1,4-5,14-16,18H2,(H3,28,29)(H,31,33)/t24-/m1/s1
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 3.00E+4n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of human plasmin at 25 degree C and pH 7.5.

Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50289377
PNG
(4-{3-[2-(4-Chloro-benzenesulfonylamino)-ethyl]-phe...)
Show SMILES NC(=N)c1ccc(COc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)cc1
Show InChI InChI=1S/C22H22ClN3O3S/c23-19-8-10-21(11-9-19)30(27,28)26-13-12-16-2-1-3-20(14-16)29-15-17-4-6-18(7-5-17)22(24)25/h1-11,14,26H,12-13,15H2,(H3,24,25)
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 3.40E+4n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of human plasmin at 25 degree C and pH 7.5.

Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50038002
PNG
(Benzamidine (Protonated) | CHEMBL20936 | CHEMBL537...)
Show SMILES NC(=N)c1ccccc1
Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
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 3.50E+4n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of bovine trypsin at 25 degree C and pH 7.5.

Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50289374
PNG
((2-Phenoxy-ethyl)-pyridin-4-yl-amine | CHEMBL28531...)
Show SMILES C(COc1ccccc1)Nc1ccncc1
Show InChI InChI=1S/C13H14N2O/c1-2-4-13(5-3-1)16-11-10-15-12-6-8-14-9-7-12/h1-9H,10-11H2,(H,14,15)
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 1.20E+5n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of human Thrombin at 25 degree C and pH 7.5.

Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50038002
PNG
(Benzamidine (Protonated) | CHEMBL20936 | CHEMBL537...)
Show SMILES NC(=N)c1ccccc1
Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
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 2.20E+5n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of human Thrombin at 25 degree C and pH 7.5.

Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50289378
PNG
(2-(Naphthalene-2-sulfonylamino)-N-[(S)-1-(piperidi...)
Show SMILES O=C(CNS(=O)(=O)c1ccc2ccccc2c1)N[C@@H](CCNc1ccncc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C26H31N5O4S/c32-25(19-29-36(34,35)23-9-8-20-6-2-3-7-21(20)18-23)30-24(26(33)31-16-4-1-5-17-31)12-15-28-22-10-13-27-14-11-22/h2-3,6-11,13-14,18,24,29H,1,4-5,12,15-17,19H2,(H,27,28)(H,30,32)/t24-/m0/s1
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 3.00E+5n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of human Thrombin at 25 degree C and pH 7.5.

Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50038002
PNG
(Benzamidine (Protonated) | CHEMBL20936 | CHEMBL537...)
Show SMILES NC(=N)c1ccccc1
Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
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 3.50E+5n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of human plasmin at 25 degree C and pH 7.5.

Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50289373
PNG
(2-(4-Chloro-benzenesulfonylamino)-N-[(R)-1-(piperi...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)NCC(=O)N[C@H](CCNc1ccncc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C22H28ClN5O4S/c23-17-4-6-19(7-5-17)33(31,32)26-16-21(29)27-20(22(30)28-14-2-1-3-15-28)10-13-25-18-8-11-24-12-9-18/h4-9,11-12,20,26H,1-3,10,13-16H2,(H,24,25)(H,27,29)/t20-/m1/s1
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>5.00E+5n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of human plasmin at 25 degree C and pH 7.5.

Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50289382
PNG
(4-Chloro-N-(2-{3-[2-(pyridin-4-ylamino)-ethoxy]-ph...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)NCCc1cccc(OCCNc2ccncc2)c1
Show InChI InChI=1S/C21H22ClN3O3S/c22-18-4-6-21(7-5-18)29(26,27)25-13-8-17-2-1-3-20(16-17)28-15-14-24-19-9-11-23-12-10-19/h1-7,9-12,16,25H,8,13-15H2,(H,23,24)
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>5.00E+5n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of bovine trypsin at 25 degree C and pH 7.5.

Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50289375
PNG
(2-Benzenesulfonylamino-N-[(R)-1-(piperidine-1-carb...)
Show SMILES O=C(CNS(=O)(=O)c1ccccc1)N[C@H](CCNc1ccncc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C22H29N5O4S/c28-21(17-25-32(30,31)19-7-3-1-4-8-19)26-20(22(29)27-15-5-2-6-16-27)11-14-24-18-9-12-23-13-10-18/h1,3-4,7-10,12-13,20,25H,2,5-6,11,14-17H2,(H,23,24)(H,26,28)/t20-/m1/s1
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>5.00E+5n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of bovine trypsin at 25 degree C and pH 7.5.

Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50289379
PNG
(CHEMBL23243 | Pyridin-4-yl-(2-m-tolyloxy-ethyl)-am...)
Show SMILES Cc1cccc(OCCNc2ccncc2)c1
Show InChI InChI=1S/C14H16N2O/c1-12-3-2-4-14(11-12)17-10-9-16-13-5-7-15-8-6-13/h2-8,11H,9-10H2,1H3,(H,15,16)
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>5.00E+5n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of human plasmin at 25 degree C and pH 7.5.

Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50070632
PNG
(4-[2-(3-Benzenesulfonylamino-phenoxy)-ethylamino]-...)
Show SMILES O=S(=O)(Nc1cccc(OCCNc2ccncc2)c1)c1ccccc1
Show InChI InChI=1S/C19H19N3O3S/c23-26(24,19-7-2-1-3-8-19)22-17-5-4-6-18(15-17)25-14-13-21-16-9-11-20-12-10-16/h1-12,15,22H,13-14H2,(H,20,21)
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>5.00E+5n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of bovine trypsin at 25 degree C and pH 7.5.

Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50289374
PNG
((2-Phenoxy-ethyl)-pyridin-4-yl-amine | CHEMBL28531...)
Show SMILES C(COc1ccccc1)Nc1ccncc1
Show InChI InChI=1S/C13H14N2O/c1-2-4-13(5-3-1)16-11-10-15-12-6-8-14-9-7-12/h1-9H,10-11H2,(H,14,15)
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>5.00E+5n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of bovine trypsin at 25 degree C and pH 7.5.

Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50289382
PNG
(4-Chloro-N-(2-{3-[2-(pyridin-4-ylamino)-ethoxy]-ph...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)NCCc1cccc(OCCNc2ccncc2)c1
Show InChI InChI=1S/C21H22ClN3O3S/c22-18-4-6-21(7-5-18)29(26,27)25-13-8-17-2-1-3-20(16-17)28-15-14-24-19-9-11-23-12-10-19/h1-7,9-12,16,25H,8,13-15H2,(H,23,24)
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>5.00E+5n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of human plasmin at 25 degree C and pH 7.5.

Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50289380
PNG
(2-(Pyridin-4-ylamino)-ethanol | CHEMBL24479)
Show SMILES OCCNc1ccncc1
Show InChI InChI=1S/C7H10N2O/c10-6-5-9-7-1-3-8-4-2-7/h1-4,10H,5-6H2,(H,8,9)
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>5.00E+5n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of human Thrombin at 25 degree C and pH 7.5.

Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50289381
PNG
(CHEMBL23246 | Naphthalene-2-sulfonic acid {3-[2-(p...)
Show SMILES O=S(=O)(Nc1cccc(OCCNc2ccncc2)c1)c1ccc2ccccc2c1
Show InChI InChI=1S/C23H21N3O3S/c27-30(28,23-9-8-18-4-1-2-5-19(18)16-23)26-21-6-3-7-22(17-21)29-15-14-25-20-10-12-24-13-11-20/h1-13,16-17,26H,14-15H2,(H,24,25)
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>5.00E+5n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of human plasmin at 25 degree C and pH 7.5.

Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50070596
PNG
(CHEMBL282549 | N-Methyl-N-{3-[2-(pyridin-4-ylamino...)
Show SMILES CN(c1cccc(OCCNc2ccncc2)c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H21N3O3S/c1-23(27(24,25)20-8-3-2-4-9-20)18-6-5-7-19(16-18)26-15-14-22-17-10-12-21-13-11-17/h2-13,16H,14-15H2,1H3,(H,21,22)
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>5.00E+5n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of bovine trypsin at 25 degree C and pH 7.5.

Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50289375
PNG
(2-Benzenesulfonylamino-N-[(R)-1-(piperidine-1-carb...)
Show SMILES O=C(CNS(=O)(=O)c1ccccc1)N[C@H](CCNc1ccncc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C22H29N5O4S/c28-21(17-25-32(30,31)19-7-3-1-4-8-19)26-20(22(29)27-15-5-2-6-16-27)11-14-24-18-9-12-23-13-10-18/h1,3-4,7-10,12-13,20,25H,2,5-6,11,14-17H2,(H,23,24)(H,26,28)/t20-/m1/s1
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>5.00E+5n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of human plasmin at 25 degree C and pH 7.5.

Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50126700
PNG
(4-Chloro-N-{3-[2-(pyridin-4-ylamino)-ethoxy]-pheny...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)Nc1cccc(OCCNc2ccncc2)c1
Show InChI InChI=1S/C19H18ClN3O3S/c20-15-4-6-19(7-5-15)27(24,25)23-17-2-1-3-18(14-17)26-13-12-22-16-8-10-21-11-9-16/h1-11,14,23H,12-13H2,(H,21,22)
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>5.00E+5n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of human plasmin at 25 degree C and pH 7.5.

Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50070632
PNG
(4-[2-(3-Benzenesulfonylamino-phenoxy)-ethylamino]-...)
Show SMILES O=S(=O)(Nc1cccc(OCCNc2ccncc2)c1)c1ccccc1
Show InChI InChI=1S/C19H19N3O3S/c23-26(24,19-7-2-1-3-8-19)22-17-5-4-6-18(15-17)25-14-13-21-16-9-11-20-12-10-16/h1-12,15,22H,13-14H2,(H,20,21)
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>5.00E+5n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of human plasmin at 25 degree C and pH 7.5.

Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50126700
PNG
(4-Chloro-N-{3-[2-(pyridin-4-ylamino)-ethoxy]-pheny...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)Nc1cccc(OCCNc2ccncc2)c1
Show InChI InChI=1S/C19H18ClN3O3S/c20-15-4-6-19(7-5-15)27(24,25)23-17-2-1-3-18(14-17)26-13-12-22-16-8-10-21-11-9-16/h1-11,14,23H,12-13H2,(H,21,22)
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>5.00E+5n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of bovine trypsin at 25 degree C and pH 7.5.

Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50289379
PNG
(CHEMBL23243 | Pyridin-4-yl-(2-m-tolyloxy-ethyl)-am...)
Show SMILES Cc1cccc(OCCNc2ccncc2)c1
Show InChI InChI=1S/C14H16N2O/c1-12-3-2-4-14(11-12)17-10-9-16-13-5-7-15-8-6-13/h2-8,11H,9-10H2,1H3,(H,15,16)
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>5.00E+5n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of bovine trypsin at 25 degree C and pH 7.5.

Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50289380
PNG
(2-(Pyridin-4-ylamino)-ethanol | CHEMBL24479)
Show SMILES OCCNc1ccncc1
Show InChI InChI=1S/C7H10N2O/c10-6-5-9-7-1-3-8-4-2-7/h1-4,10H,5-6H2,(H,8,9)
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>5.00E+5n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of human plasmin at 25 degree C and pH 7.5.

Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50289374
PNG
((2-Phenoxy-ethyl)-pyridin-4-yl-amine | CHEMBL28531...)
Show SMILES C(COc1ccccc1)Nc1ccncc1
Show InChI InChI=1S/C13H14N2O/c1-2-4-13(5-3-1)16-11-10-15-12-6-8-14-9-7-12/h1-9H,10-11H2,(H,14,15)
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>5.00E+5n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of human plasmin at 25 degree C and pH 7.5.

Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50289376
PNG
(2-(Naphthalene-2-sulfonylamino)-N-[(R)-1-(piperidi...)
Show SMILES O=C(CNS(=O)(=O)c1ccc2ccccc2c1)N[C@H](CCNc1ccncc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C26H31N5O4S/c32-25(19-29-36(34,35)23-9-8-20-6-2-3-7-21(20)18-23)30-24(26(33)31-16-4-1-5-17-31)12-15-28-22-10-13-27-14-11-22/h2-3,6-11,13-14,18,24,29H,1,4-5,12,15-17,19H2,(H,27,28)(H,30,32)/t24-/m1/s1
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>5.00E+5n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of human plasmin at 25 degree C and pH 7.5.

Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50289376
PNG
(2-(Naphthalene-2-sulfonylamino)-N-[(R)-1-(piperidi...)
Show SMILES O=C(CNS(=O)(=O)c1ccc2ccccc2c1)N[C@H](CCNc1ccncc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C26H31N5O4S/c32-25(19-29-36(34,35)23-9-8-20-6-2-3-7-21(20)18-23)30-24(26(33)31-16-4-1-5-17-31)12-15-28-22-10-13-27-14-11-22/h2-3,6-11,13-14,18,24,29H,1,4-5,12,15-17,19H2,(H,27,28)(H,30,32)/t24-/m1/s1
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>5.00E+5n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of bovine trypsin at 25 degree C and pH 7.5.

Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50289378
PNG
(2-(Naphthalene-2-sulfonylamino)-N-[(S)-1-(piperidi...)
Show SMILES O=C(CNS(=O)(=O)c1ccc2ccccc2c1)N[C@@H](CCNc1ccncc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C26H31N5O4S/c32-25(19-29-36(34,35)23-9-8-20-6-2-3-7-21(20)18-23)30-24(26(33)31-16-4-1-5-17-31)12-15-28-22-10-13-27-14-11-22/h2-3,6-11,13-14,18,24,29H,1,4-5,12,15-17,19H2,(H,27,28)(H,30,32)/t24-/m0/s1
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>5.00E+5n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of bovine trypsin at 25 degree C and pH 7.5.

Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50289381
PNG
(CHEMBL23246 | Naphthalene-2-sulfonic acid {3-[2-(p...)
Show SMILES O=S(=O)(Nc1cccc(OCCNc2ccncc2)c1)c1ccc2ccccc2c1
Show InChI InChI=1S/C23H21N3O3S/c27-30(28,23-9-8-18-4-1-2-5-19(18)16-23)26-21-6-3-7-22(17-21)29-15-14-25-20-10-12-24-13-11-20/h1-13,16-17,26H,14-15H2,(H,24,25)
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>5.00E+5n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of bovine trypsin at 25 degree C and pH 7.5.

Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50289378
PNG
(2-(Naphthalene-2-sulfonylamino)-N-[(S)-1-(piperidi...)
Show SMILES O=C(CNS(=O)(=O)c1ccc2ccccc2c1)N[C@@H](CCNc1ccncc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C26H31N5O4S/c32-25(19-29-36(34,35)23-9-8-20-6-2-3-7-21(20)18-23)30-24(26(33)31-16-4-1-5-17-31)12-15-28-22-10-13-27-14-11-22/h2-3,6-11,13-14,18,24,29H,1,4-5,12,15-17,19H2,(H,27,28)(H,30,32)/t24-/m0/s1
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>5.00E+5n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of human plasmin at 25 degree C and pH 7.5.

Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50070596
PNG
(CHEMBL282549 | N-Methyl-N-{3-[2-(pyridin-4-ylamino...)
Show SMILES CN(c1cccc(OCCNc2ccncc2)c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H21N3O3S/c1-23(27(24,25)20-8-3-2-4-9-20)18-6-5-7-19(16-18)26-15-14-22-17-10-12-21-13-11-17/h2-13,16H,14-15H2,1H3,(H,21,22)
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>5.00E+5n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of human plasmin at 25 degree C and pH 7.5.

Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50289380
PNG
(2-(Pyridin-4-ylamino)-ethanol | CHEMBL24479)
Show SMILES OCCNc1ccncc1
Show InChI InChI=1S/C7H10N2O/c10-6-5-9-7-1-3-8-4-2-7/h1-4,10H,5-6H2,(H,8,9)
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>5.00E+5n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of bovine trypsin at 25 degree C and pH 7.5.

Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50289373
PNG
(2-(4-Chloro-benzenesulfonylamino)-N-[(R)-1-(piperi...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)NCC(=O)N[C@H](CCNc1ccncc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C22H28ClN5O4S/c23-17-4-6-19(7-5-17)33(31,32)26-16-21(29)27-20(22(30)28-14-2-1-3-15-28)10-13-25-18-8-11-24-12-9-18/h4-9,11-12,20,26H,1-3,10,13-16H2,(H,24,25)(H,27,29)/t20-/m1/s1
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>5.00E+5n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of bovine trypsin at 25 degree C and pH 7.5.

Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM10458
PNG
(4-AP | 4-Aminopyridine 10 | CHEMBL284348 | DALFAMP...)
Show SMILES Nc1ccncc1
Show InChI InChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7)
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>2.00E+6n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of human Thrombin at 25 degree C and pH 7.5.

Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM10458
PNG
(4-AP | 4-Aminopyridine 10 | CHEMBL284348 | DALFAMP...)
Show SMILES Nc1ccncc1
Show InChI InChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7)
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>2.00E+6n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of bovine trypsin at 25 degree C and pH 7.5.

Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM10458
PNG
(4-AP | 4-Aminopyridine 10 | CHEMBL284348 | DALFAMP...)
Show SMILES Nc1ccncc1
Show InChI InChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7)
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>2.00E+6n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of human plasmin at 25 degree C and pH 7.5.

Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%