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PubMed code 9873397

Compile data set for download or QSAR
Found 37 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))		BDBM50070597
PNG
(2-Chloro-benzenesulfonic acid 3-(1-carbamimidoyl-p...)
Show SMILES Cc1cc(OCC2CCN(CC2)C(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C20H24ClN3O4S/c1-14-10-16(27-13-15-6-8-24(9-7-15)20(22)23)12-17(11-14)28-29(25,26)19-5-3-2-4-18(19)21/h2-5,10-12,15H,6-9,13H2,1H3,(H3,22,23)
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 4.60n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit serine protease thrombin using succinyl-Ala-p-nitroanilide as substrate

Bioorg Med Chem Lett 8: 1595-600 (1999)


BindingDB Entry DOI: 10.7270/Q20864GK
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50064653
PNG
(2-Chloro-benzenesulfonic acid 3-methyl-5-[2-(methy...)
Show SMILES CN(CCOc1cc(C)cc(OS(=O)(=O)c2ccccc2Cl)c1)c1ccncc1
Show InChI InChI=1S/C21H21ClN2O4S/c1-16-13-18(27-12-11-24(2)17-7-9-23-10-8-17)15-19(14-16)28-29(25,26)21-6-4-3-5-20(21)22/h3-10,13-15H,11-12H2,1-2H3
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 11n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit serine protease thrombin using succinyl-Ala-p-nitroanilide as substrate

Bioorg Med Chem Lett 8: 1595-600 (1999)


BindingDB Entry DOI: 10.7270/Q20864GK
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50070599
PNG
(2-Chloro-benzenesulfonic acid 3-(4-guanidino-butox...)
Show SMILES Cc1cc(OCCCCNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C18H22ClN3O4S/c1-13-10-14(25-9-5-4-8-22-18(20)21)12-15(11-13)26-27(23,24)17-7-3-2-6-16(17)19/h2-3,6-7,10-12H,4-5,8-9H2,1H3,(H4,20,21,22)
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 13n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit serine protease thrombin using succinyl-Ala-p-nitroanilide as substrate

Bioorg Med Chem Lett 8: 1595-600 (1999)


BindingDB Entry DOI: 10.7270/Q20864GK
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50070598
PNG
(2-Chloro-benzenesulfonic acid 3-(3-guanidino-propo...)
Show SMILES Cc1cc(OCCCNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C17H20ClN3O4S/c1-12-9-13(24-8-4-7-21-17(19)20)11-14(10-12)25-26(22,23)16-6-3-2-5-15(16)18/h2-3,5-6,9-11H,4,7-8H2,1H3,(H4,19,20,21)
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 33n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit serine protease thrombin using succinyl-Ala-p-nitroanilide as substrate

Bioorg Med Chem Lett 8: 1595-600 (1999)


BindingDB Entry DOI: 10.7270/Q20864GK
More data for this
Ligand-Target Pair
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/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit serine protease thrombin using succinyl-Ala-p-nitroanilide as substrate

Bioorg Med Chem Lett 8: 1595-600 (1999)


BindingDB Entry DOI: 10.7270/Q20864GK
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50070595
PNG
(2-Chloro-benzenesulfonic acid 3-(5-guanidino-penty...)
Show SMILES Cc1cc(OCCCCCNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C19H24ClN3O4S/c1-14-11-15(26-10-6-2-5-9-23-19(21)22)13-16(12-14)27-28(24,25)18-8-4-3-7-17(18)20/h3-4,7-8,11-13H,2,5-6,9-10H2,1H3,(H4,21,22,23)
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 260n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit serine protease thrombin using succinyl-Ala-p-nitroanilide as substrate

Bioorg Med Chem Lett 8: 1595-600 (1999)


BindingDB Entry DOI: 10.7270/Q20864GK
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50070600
PNG
(2-Chloro-benzenesulfonic acid 3-(1-carbamimidoyl-p...)
Show SMILES Cc1cc(OCC2CCCN(C2)C(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C20H24ClN3O4S/c1-14-9-16(27-13-15-5-4-8-24(12-15)20(22)23)11-17(10-14)28-29(25,26)19-7-3-2-6-18(19)21/h2-3,6-7,9-11,15H,4-5,8,12-13H2,1H3,(H3,22,23)
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 320n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit serine protease thrombin using succinyl-Ala-p-nitroanilide as substrate

Bioorg Med Chem Lett 8: 1595-600 (1999)


BindingDB Entry DOI: 10.7270/Q20864GK
More data for this
Ligand-Target Pair
Trypsin-2


(Homo sapiens (Human))		BDBM50070597
PNG
(2-Chloro-benzenesulfonic acid 3-(1-carbamimidoyl-p...)
Show SMILES Cc1cc(OCC2CCN(CC2)C(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C20H24ClN3O4S/c1-14-10-16(27-13-15-6-8-24(9-7-15)20(22)23)12-17(11-14)28-29(25,26)19-5-3-2-4-18(19)21/h2-5,10-12,15H,6-9,13H2,1H3,(H3,22,23)
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 2.50E+3n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit serine protease trypsin using benzoyl-Phe-Val-Arg-p-nitroanilide as substrate

Bioorg Med Chem Lett 8: 1595-600 (1999)


BindingDB Entry DOI: 10.7270/Q20864GK
More data for this
Ligand-Target Pair
Trypsin-2


(Homo sapiens (Human))		BDBM50064653
PNG
(2-Chloro-benzenesulfonic acid 3-methyl-5-[2-(methy...)
Show SMILES CN(CCOc1cc(C)cc(OS(=O)(=O)c2ccccc2Cl)c1)c1ccncc1
Show InChI InChI=1S/C21H21ClN2O4S/c1-16-13-18(27-12-11-24(2)17-7-9-23-10-8-17)15-19(14-16)28-29(25,26)21-6-4-3-5-20(21)22/h3-10,13-15H,11-12H2,1-2H3
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 1.10E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit serine protease trypsin using benzoyl-Phe-Val-Arg-p-nitroanilide as substrate

Bioorg Med Chem Lett 8: 1595-600 (1999)


BindingDB Entry DOI: 10.7270/Q20864GK
More data for this
Ligand-Target Pair
Trypsin-2


(Homo sapiens (Human))		BDBM50070598
PNG
(2-Chloro-benzenesulfonic acid 3-(3-guanidino-propo...)
Show SMILES Cc1cc(OCCCNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C17H20ClN3O4S/c1-12-9-13(24-8-4-7-21-17(19)20)11-14(10-12)25-26(22,23)16-6-3-2-5-15(16)18/h2-3,5-6,9-11H,4,7-8H2,1H3,(H4,19,20,21)
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 2.30E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit serine protease trypsin using benzoyl-Phe-Val-Arg-p-nitroanilide as substrate

Bioorg Med Chem Lett 8: 1595-600 (1999)


BindingDB Entry DOI: 10.7270/Q20864GK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50070600
PNG
(2-Chloro-benzenesulfonic acid 3-(1-carbamimidoyl-p...)
Show SMILES Cc1cc(OCC2CCCN(C2)C(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C20H24ClN3O4S/c1-14-9-16(27-13-15-5-4-8-24(12-15)20(22)23)11-17(10-14)28-29(25,26)19-7-3-2-6-18(19)21/h2-3,6-7,9-11,15H,4-5,8,12-13H2,1H3,(H3,22,23)
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 2.90E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit serine protease factor Xa using benzoyl-Ile-Glu-Gly-Arg-p-nitroanilide as substrate

Bioorg Med Chem Lett 8: 1595-600 (1999)


BindingDB Entry DOI: 10.7270/Q20864GK
More data for this
Ligand-Target Pair
Trypsin-2


(Homo sapiens (Human))		BDBM50070595
PNG
(2-Chloro-benzenesulfonic acid 3-(5-guanidino-penty...)
Show SMILES Cc1cc(OCCCCCNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C19H24ClN3O4S/c1-14-11-15(26-10-6-2-5-9-23-19(21)22)13-16(12-14)27-28(24,25)18-8-4-3-7-17(18)20/h3-4,7-8,11-13H,2,5-6,9-10H2,1H3,(H4,21,22,23)
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 3.00E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit serine protease trypsin using benzoyl-Phe-Val-Arg-p-nitroanilide as substrate

Bioorg Med Chem Lett 8: 1595-600 (1999)


BindingDB Entry DOI: 10.7270/Q20864GK
More data for this
Ligand-Target Pair
Trypsin-2


(Homo sapiens (Human))		BDBM50070599
PNG
(2-Chloro-benzenesulfonic acid 3-(4-guanidino-butox...)
Show SMILES Cc1cc(OCCCCNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C18H22ClN3O4S/c1-13-10-14(25-9-5-4-8-22-18(20)21)12-15(11-13)26-27(23,24)17-7-3-2-6-16(17)19/h2-3,6-7,10-12H,4-5,8-9H2,1H3,(H4,20,21,22)
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 4.60E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit serine protease trypsin using benzoyl-Phe-Val-Arg-p-nitroanilide as substrate

Bioorg Med Chem Lett 8: 1595-600 (1999)


BindingDB Entry DOI: 10.7270/Q20864GK
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50064653
PNG
(2-Chloro-benzenesulfonic acid 3-methyl-5-[2-(methy...)
Show SMILES CN(CCOc1cc(C)cc(OS(=O)(=O)c2ccccc2Cl)c1)c1ccncc1
Show InChI InChI=1S/C21H21ClN2O4S/c1-16-13-18(27-12-11-24(2)17-7-9-23-10-8-17)15-19(14-16)28-29(25,26)21-6-4-3-5-20(21)22/h3-10,13-15H,11-12H2,1-2H3
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 4.90E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit serine protease chymotrypsin using suc-Ala-Ala-Pro-Phe-p-nitroanilide as substrate

Bioorg Med Chem Lett 8: 1595-600 (1999)


BindingDB Entry DOI: 10.7270/Q20864GK
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50070599
PNG
(2-Chloro-benzenesulfonic acid 3-(4-guanidino-butox...)
Show SMILES Cc1cc(OCCCCNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C18H22ClN3O4S/c1-13-10-14(25-9-5-4-8-22-18(20)21)12-15(11-13)26-27(23,24)17-7-3-2-6-16(17)19/h2-3,6-7,10-12H,4-5,8-9H2,1H3,(H4,20,21,22)
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 4.90E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit serine protease chymotrypsin using suc-Ala-Ala-Pro-Phe-p-nitroanilide as substrate

Bioorg Med Chem Lett 8: 1595-600 (1999)


BindingDB Entry DOI: 10.7270/Q20864GK
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50070600
PNG
(2-Chloro-benzenesulfonic acid 3-(1-carbamimidoyl-p...)
Show SMILES Cc1cc(OCC2CCCN(C2)C(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C20H24ClN3O4S/c1-14-9-16(27-13-15-5-4-8-24(12-15)20(22)23)11-17(10-14)28-29(25,26)19-7-3-2-6-18(19)21/h2-3,6-7,9-11,15H,4-5,8,12-13H2,1H3,(H3,22,23)
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 7.20E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit serine protease chymotrypsin using suc-Ala-Ala-Pro-Phe-p-nitroanilide as substrate

Bioorg Med Chem Lett 8: 1595-600 (1999)


BindingDB Entry DOI: 10.7270/Q20864GK
More data for this
Ligand-Target Pair
Trypsin-2


(Homo sapiens (Human))		BDBM50070600
PNG
(2-Chloro-benzenesulfonic acid 3-(1-carbamimidoyl-p...)
Show SMILES Cc1cc(OCC2CCCN(C2)C(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C20H24ClN3O4S/c1-14-9-16(27-13-15-5-4-8-24(12-15)20(22)23)11-17(10-14)28-29(25,26)19-7-3-2-6-18(19)21/h2-3,6-7,9-11,15H,4-5,8,12-13H2,1H3,(H3,22,23)
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 7.40E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit serine protease trypsin using benzoyl-Phe-Val-Arg-p-nitroanilide as substrate

Bioorg Med Chem Lett 8: 1595-600 (1999)


BindingDB Entry DOI: 10.7270/Q20864GK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50070597
PNG
(2-Chloro-benzenesulfonic acid 3-(1-carbamimidoyl-p...)
Show SMILES Cc1cc(OCC2CCN(CC2)C(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C20H24ClN3O4S/c1-14-10-16(27-13-15-6-8-24(9-7-15)20(22)23)12-17(11-14)28-29(25,26)19-5-3-2-4-18(19)21/h2-5,10-12,15H,6-9,13H2,1H3,(H3,22,23)
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 8.00E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit serine protease factor Xa using benzoyl-Ile-Glu-Gly-Arg-p-nitroanilide as substrate

Bioorg Med Chem Lett 8: 1595-600 (1999)


BindingDB Entry DOI: 10.7270/Q20864GK
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50070595
PNG
(2-Chloro-benzenesulfonic acid 3-(5-guanidino-penty...)
Show SMILES Cc1cc(OCCCCCNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C19H24ClN3O4S/c1-14-11-15(26-10-6-2-5-9-23-19(21)22)13-16(12-14)27-28(24,25)18-8-4-3-7-17(18)20/h3-4,7-8,11-13H,2,5-6,9-10H2,1H3,(H4,21,22,23)
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 8.00E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit serine protease chymotrypsin using suc-Ala-Ala-Pro-Phe-p-nitroanilide as substrate

Bioorg Med Chem Lett 8: 1595-600 (1999)


BindingDB Entry DOI: 10.7270/Q20864GK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50070599
PNG
(2-Chloro-benzenesulfonic acid 3-(4-guanidino-butox...)
Show SMILES Cc1cc(OCCCCNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C18H22ClN3O4S/c1-13-10-14(25-9-5-4-8-22-18(20)21)12-15(11-13)26-27(23,24)17-7-3-2-6-16(17)19/h2-3,6-7,10-12H,4-5,8-9H2,1H3,(H4,20,21,22)
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 1.10E+5n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit serine protease factor Xa using benzoyl-Ile-Glu-Gly-Arg-p-nitroanilide as substrate

Bioorg Med Chem Lett 8: 1595-600 (1999)


BindingDB Entry DOI: 10.7270/Q20864GK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50070595
PNG
(2-Chloro-benzenesulfonic acid 3-(5-guanidino-penty...)
Show SMILES Cc1cc(OCCCCCNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C19H24ClN3O4S/c1-14-11-15(26-10-6-2-5-9-23-19(21)22)13-16(12-14)27-28(24,25)18-8-4-3-7-17(18)20/h3-4,7-8,11-13H,2,5-6,9-10H2,1H3,(H4,21,22,23)
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 1.20E+5n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit serine protease factor Xa using benzoyl-Ile-Glu-Gly-Arg-p-nitroanilide as substrate

Bioorg Med Chem Lett 8: 1595-600 (1999)


BindingDB Entry DOI: 10.7270/Q20864GK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50064653
PNG
(2-Chloro-benzenesulfonic acid 3-methyl-5-[2-(methy...)
Show SMILES CN(CCOc1cc(C)cc(OS(=O)(=O)c2ccccc2Cl)c1)c1ccncc1
Show InChI InChI=1S/C21H21ClN2O4S/c1-16-13-18(27-12-11-24(2)17-7-9-23-10-8-17)15-19(14-16)28-29(25,26)21-6-4-3-5-20(21)22/h3-10,13-15H,11-12H2,1-2H3
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 1.60E+5n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit serine protease factor Xa using benzoyl-Ile-Glu-Gly-Arg-p-nitroanilide as substrate

Bioorg Med Chem Lett 8: 1595-600 (1999)


BindingDB Entry DOI: 10.7270/Q20864GK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50070598
PNG
(2-Chloro-benzenesulfonic acid 3-(3-guanidino-propo...)
Show SMILES Cc1cc(OCCCNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C17H20ClN3O4S/c1-12-9-13(24-8-4-7-21-17(19)20)11-14(10-12)25-26(22,23)16-6-3-2-5-15(16)18/h2-3,5-6,9-11H,4,7-8H2,1H3,(H4,19,20,21)
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>2.00E+5n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit serine protease factor Xa using benzoyl-Ile-Glu-Gly-Arg-p-nitroanilide as substrate

Bioorg Med Chem Lett 8: 1595-600 (1999)


BindingDB Entry DOI: 10.7270/Q20864GK
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM50070597
PNG
(2-Chloro-benzenesulfonic acid 3-(1-carbamimidoyl-p...)
Show SMILES Cc1cc(OCC2CCN(CC2)C(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C20H24ClN3O4S/c1-14-10-16(27-13-15-6-8-24(9-7-15)20(22)23)12-17(11-14)28-29(25,26)19-5-3-2-4-18(19)21/h2-5,10-12,15H,6-9,13H2,1H3,(H3,22,23)
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>2.00E+5n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit serine protease urokinase using carbobenzyloxy-Phe-Val-Arg-pnitroanilide as substrate

Bioorg Med Chem Lett 8: 1595-600 (1999)


BindingDB Entry DOI: 10.7270/Q20864GK
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50064653
PNG
(2-Chloro-benzenesulfonic acid 3-methyl-5-[2-(methy...)
Show SMILES CN(CCOc1cc(C)cc(OS(=O)(=O)c2ccccc2Cl)c1)c1ccncc1
Show InChI InChI=1S/C21H21ClN2O4S/c1-16-13-18(27-12-11-24(2)17-7-9-23-10-8-17)15-19(14-16)28-29(25,26)21-6-4-3-5-20(21)22/h3-10,13-15H,11-12H2,1-2H3
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3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit serine protease plasmin using tosyl-Gly-Pro-Lys-p-nitroanilide as substrate

Bioorg Med Chem Lett 8: 1595-600 (1999)


BindingDB Entry DOI: 10.7270/Q20864GK
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50070597
PNG
(2-Chloro-benzenesulfonic acid 3-(1-carbamimidoyl-p...)
Show SMILES Cc1cc(OCC2CCN(CC2)C(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C20H24ClN3O4S/c1-14-10-16(27-13-15-6-8-24(9-7-15)20(22)23)12-17(11-14)28-29(25,26)19-5-3-2-4-18(19)21/h2-5,10-12,15H,6-9,13H2,1H3,(H3,22,23)
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>2.00E+5n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit serine protease plasmin using tosyl-Gly-Pro-Lys-p-nitroanilide as substrate

Bioorg Med Chem Lett 8: 1595-600 (1999)


BindingDB Entry DOI: 10.7270/Q20864GK
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM50070600
PNG
(2-Chloro-benzenesulfonic acid 3-(1-carbamimidoyl-p...)
Show SMILES Cc1cc(OCC2CCCN(C2)C(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C20H24ClN3O4S/c1-14-9-16(27-13-15-5-4-8-24(12-15)20(22)23)11-17(10-14)28-29(25,26)19-7-3-2-6-18(19)21/h2-3,6-7,9-11,15H,4-5,8,12-13H2,1H3,(H3,22,23)
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>2.00E+5n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit serine protease urokinase using carbobenzyloxy-Phe-Val-Arg-pnitroanilide as substrate

Bioorg Med Chem Lett 8: 1595-600 (1999)


BindingDB Entry DOI: 10.7270/Q20864GK
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM50064653
PNG
(2-Chloro-benzenesulfonic acid 3-methyl-5-[2-(methy...)
Show SMILES CN(CCOc1cc(C)cc(OS(=O)(=O)c2ccccc2Cl)c1)c1ccncc1
Show InChI InChI=1S/C21H21ClN2O4S/c1-16-13-18(27-12-11-24(2)17-7-9-23-10-8-17)15-19(14-16)28-29(25,26)21-6-4-3-5-20(21)22/h3-10,13-15H,11-12H2,1-2H3
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>2.00E+5n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit serine protease urokinase using carbobenzyloxy-Phe-Val-Arg-pnitroanilide as substrate

Bioorg Med Chem Lett 8: 1595-600 (1999)


BindingDB Entry DOI: 10.7270/Q20864GK
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50070595
PNG
(2-Chloro-benzenesulfonic acid 3-(5-guanidino-penty...)
Show SMILES Cc1cc(OCCCCCNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C19H24ClN3O4S/c1-14-11-15(26-10-6-2-5-9-23-19(21)22)13-16(12-14)27-28(24,25)18-8-4-3-7-17(18)20/h3-4,7-8,11-13H,2,5-6,9-10H2,1H3,(H4,21,22,23)
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>2.00E+5n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit serine protease plasmin using tosyl-Gly-Pro-Lys-p-nitroanilide as substrate

Bioorg Med Chem Lett 8: 1595-600 (1999)


BindingDB Entry DOI: 10.7270/Q20864GK
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50070600
PNG
(2-Chloro-benzenesulfonic acid 3-(1-carbamimidoyl-p...)
Show SMILES Cc1cc(OCC2CCCN(C2)C(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C20H24ClN3O4S/c1-14-9-16(27-13-15-5-4-8-24(12-15)20(22)23)11-17(10-14)28-29(25,26)19-7-3-2-6-18(19)21/h2-3,6-7,9-11,15H,4-5,8,12-13H2,1H3,(H3,22,23)
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>2.00E+5n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit serine protease plasmin using tosyl-Gly-Pro-Lys-p-nitroanilide as substrate

Bioorg Med Chem Lett 8: 1595-600 (1999)


BindingDB Entry DOI: 10.7270/Q20864GK
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50070597
PNG
(2-Chloro-benzenesulfonic acid 3-(1-carbamimidoyl-p...)
Show SMILES Cc1cc(OCC2CCN(CC2)C(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C20H24ClN3O4S/c1-14-10-16(27-13-15-6-8-24(9-7-15)20(22)23)12-17(11-14)28-29(25,26)19-5-3-2-4-18(19)21/h2-5,10-12,15H,6-9,13H2,1H3,(H3,22,23)
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>2.00E+5n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit serine protease chymotrypsin using suc-Ala-Ala-Pro-Phe-p-nitroanilide as substrate

Bioorg Med Chem Lett 8: 1595-600 (1999)


BindingDB Entry DOI: 10.7270/Q20864GK
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM50070599
PNG
(2-Chloro-benzenesulfonic acid 3-(4-guanidino-butox...)
Show SMILES Cc1cc(OCCCCNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C18H22ClN3O4S/c1-13-10-14(25-9-5-4-8-22-18(20)21)12-15(11-13)26-27(23,24)17-7-3-2-6-16(17)19/h2-3,6-7,10-12H,4-5,8-9H2,1H3,(H4,20,21,22)
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>2.00E+5n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit serine protease urokinase using carbobenzyloxy-Phe-Val-Arg-pnitroanilide as substrate

Bioorg Med Chem Lett 8: 1595-600 (1999)


BindingDB Entry DOI: 10.7270/Q20864GK
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50070598
PNG
(2-Chloro-benzenesulfonic acid 3-(3-guanidino-propo...)
Show SMILES Cc1cc(OCCCNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C17H20ClN3O4S/c1-12-9-13(24-8-4-7-21-17(19)20)11-14(10-12)25-26(22,23)16-6-3-2-5-15(16)18/h2-3,5-6,9-11H,4,7-8H2,1H3,(H4,19,20,21)
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>2.00E+5n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit serine protease chymotrypsin using suc-Ala-Ala-Pro-Phe-p-nitroanilide as substrate

Bioorg Med Chem Lett 8: 1595-600 (1999)


BindingDB Entry DOI: 10.7270/Q20864GK
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM50070595
PNG
(2-Chloro-benzenesulfonic acid 3-(5-guanidino-penty...)
Show SMILES Cc1cc(OCCCCCNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C19H24ClN3O4S/c1-14-11-15(26-10-6-2-5-9-23-19(21)22)13-16(12-14)27-28(24,25)18-8-4-3-7-17(18)20/h3-4,7-8,11-13H,2,5-6,9-10H2,1H3,(H4,21,22,23)
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>2.00E+5n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit serine protease urokinase using carbobenzyloxy-Phe-Val-Arg-pnitroanilide as substrate

Bioorg Med Chem Lett 8: 1595-600 (1999)


BindingDB Entry DOI: 10.7270/Q20864GK
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50070598
PNG
(2-Chloro-benzenesulfonic acid 3-(3-guanidino-propo...)
Show SMILES Cc1cc(OCCCNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C17H20ClN3O4S/c1-12-9-13(24-8-4-7-21-17(19)20)11-14(10-12)25-26(22,23)16-6-3-2-5-15(16)18/h2-3,5-6,9-11H,4,7-8H2,1H3,(H4,19,20,21)
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>2.00E+5n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit serine protease plasmin using tosyl-Gly-Pro-Lys-p-nitroanilide as substrate

Bioorg Med Chem Lett 8: 1595-600 (1999)


BindingDB Entry DOI: 10.7270/Q20864GK
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM50070598
PNG
(2-Chloro-benzenesulfonic acid 3-(3-guanidino-propo...)
Show SMILES Cc1cc(OCCCNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C17H20ClN3O4S/c1-12-9-13(24-8-4-7-21-17(19)20)11-14(10-12)25-26(22,23)16-6-3-2-5-15(16)18/h2-3,5-6,9-11H,4,7-8H2,1H3,(H4,19,20,21)
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>2.00E+5n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit serine protease urokinase using carbobenzyloxy-Phe-Val-Arg-pnitroanilide as substrate

Bioorg Med Chem Lett 8: 1595-600 (1999)


BindingDB Entry DOI: 10.7270/Q20864GK
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50070599
PNG
(2-Chloro-benzenesulfonic acid 3-(4-guanidino-butox...)
Show SMILES Cc1cc(OCCCCNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C18H22ClN3O4S/c1-13-10-14(25-9-5-4-8-22-18(20)21)12-15(11-13)26-27(23,24)17-7-3-2-6-16(17)19/h2-3,6-7,10-12H,4-5,8-9H2,1H3,(H4,20,21,22)
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>2.00E+5n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit serine protease plasmin using tosyl-Gly-Pro-Lys-p-nitroanilide as substrate

Bioorg Med Chem Lett 8: 1595-600 (1999)


BindingDB Entry DOI: 10.7270/Q20864GK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%