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PubMed code 26421993

Compile data set for download or QSAR
Found 44 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
Hepsin


(Homo sapiens (Human))
BDBM50130870
PNG
(CHEMBL3632759)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(n1)C1(O)CCCCC1
Show InChI InChI=1S/C20H22N4O/c21-19(22)13-7-8-15-14(11-13)12-17(23-15)16-5-4-6-18(24-16)20(25)9-2-1-3-10-20/h4-8,11-12,23,25H,1-3,9-10H2,(H3,21,22)
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100n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hepsin by fluorescence based assay using 65 uM BOC-Gln-Arg-Arg -AMC as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepsin


(Homo sapiens (Human))
BDBM50130874
PNG
(CHEMBL3632761)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc([n+]1[O-])C1(O)CCCCC1
Show InChI InChI=1S/C20H22N4O2/c21-19(22)13-7-8-15-14(11-13)12-16(23-15)17-5-4-6-18(24(17)26)20(25)9-2-1-3-10-20/h4-8,11-12,23,25H,1-3,9-10H2,(H3,21,22)
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100n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hepsin by fluorescence based assay using 65 uM BOC-Gln-Arg-Arg -AMC as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)

More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50130870
PNG
(CHEMBL3632759)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(n1)C1(O)CCCCC1
Show InChI InChI=1S/C20H22N4O/c21-19(22)13-7-8-15-14(11-13)12-17(23-15)16-5-4-6-18(24-16)20(25)9-2-1-3-10-20/h4-8,11-12,23,25H,1-3,9-10H2,(H3,21,22)
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400n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human trypsin by fluorescence based assay using 25 uM Boc-Gln-Ala-Arg-7-amido-4-methyl coumarinhydrobromide as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)

More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50130871
PNG
(CHEMBL3632760)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(n1)C1(F)CCCCC1
Show InChI InChI=1S/C20H21FN4/c21-20(9-2-1-3-10-20)18-6-4-5-16(25-18)17-12-14-11-13(19(22)23)7-8-15(14)24-17/h4-8,11-12,24H,1-3,9-10H2,(H3,22,23)
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400n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hepsin by fluorescence based assay using 65 uM BOC-Gln-Arg-Arg -AMC as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)

More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM50130868
PNG
(CHEMBL3632757)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(N2CCCCC2)c1O
Show InChI InChI=1S/C20H22N4O/c21-20(22)13-7-8-16-14(11-13)12-17(23-16)15-5-4-6-18(19(15)25)24-9-2-1-3-10-24/h4-8,11-12,23,25H,1-3,9-10H2,(H3,21,22)
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500n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matriptase by fluorescence based assay using 20 uM Boc-Gln-Ala-Arg-7-amido-4-methyl coumarinhydrobromide as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)

More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50130871
PNG
(CHEMBL3632760)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(n1)C1(F)CCCCC1
Show InChI InChI=1S/C20H21FN4/c21-20(9-2-1-3-10-20)18-6-4-5-16(25-18)17-12-14-11-13(19(22)23)7-8-15(14)24-17/h4-8,11-12,24H,1-3,9-10H2,(H3,22,23)
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500n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human trypsin by fluorescence based assay using 25 uM Boc-Gln-Ala-Arg-7-amido-4-methyl coumarinhydrobromide as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)

More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50130869
PNG
(CHEMBL3632758)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(n1)N1CCCCC1
Show InChI InChI=1S/C19H21N5/c20-19(21)13-7-8-15-14(11-13)12-17(22-15)16-5-4-6-18(23-16)24-9-2-1-3-10-24/h4-8,11-12,22H,1-3,9-10H2,(H3,20,21)
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600n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hepsin by fluorescence based assay using 65 uM BOC-Gln-Arg-Arg -AMC as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)

More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)
BDBM50130871
PNG
(CHEMBL3632760)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(n1)C1(F)CCCCC1
Show InChI InChI=1S/C20H21FN4/c21-20(9-2-1-3-10-20)18-6-4-5-16(25-18)17-12-14-11-13(19(22)23)7-8-15(14)24-17/h4-8,11-12,24H,1-3,9-10H2,(H3,22,23)
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700n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of bovine factor 10a by fluorescence based assay using CH3OCO-D-CHA-Gly-Arg-pNA.AcoH as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)

More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50130866
PNG
(CHEMBL3632755)
Show SMILES CC(C)c1cccc(-c2cc3cc(ccc3[nH]2)C(N)=N)c1O
Show InChI InChI=1S/C18H19N3O/c1-10(2)13-4-3-5-14(17(13)22)16-9-12-8-11(18(19)20)6-7-15(12)21-16/h3-10,21-22H,1-2H3,(H3,19,20)
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800n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human trypsin by fluorescence based assay using 25 uM Boc-Gln-Ala-Arg-7-amido-4-methyl coumarinhydrobromide as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)

More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM50130871
PNG
(CHEMBL3632760)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(n1)C1(F)CCCCC1
Show InChI InChI=1S/C20H21FN4/c21-20(9-2-1-3-10-20)18-6-4-5-16(25-18)17-12-14-11-13(19(22)23)7-8-15(14)24-17/h4-8,11-12,24H,1-3,9-10H2,(H3,22,23)
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800n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matriptase by fluorescence based assay using 20 uM Boc-Gln-Ala-Arg-7-amido-4-methyl coumarinhydrobromide as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)

More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50130874
PNG
(CHEMBL3632761)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc([n+]1[O-])C1(O)CCCCC1
Show InChI InChI=1S/C20H22N4O2/c21-19(22)13-7-8-15-14(11-13)12-16(23-15)17-5-4-6-18(24(17)26)20(25)9-2-1-3-10-20/h4-8,11-12,23,25H,1-3,9-10H2,(H3,21,22)
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800n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human trypsin by fluorescence based assay using 25 uM Boc-Gln-Ala-Arg-7-amido-4-methyl coumarinhydrobromide as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)

More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)
BDBM50130866
PNG
(CHEMBL3632755)
Show SMILES CC(C)c1cccc(-c2cc3cc(ccc3[nH]2)C(N)=N)c1O
Show InChI InChI=1S/C18H19N3O/c1-10(2)13-4-3-5-14(17(13)22)16-9-12-8-11(18(19)20)6-7-15(12)21-16/h3-10,21-22H,1-2H3,(H3,19,20)
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1.00E+3n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of bovine factor 10a by fluorescence based assay using CH3OCO-D-CHA-Gly-Arg-pNA.AcoH as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)

More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM50130874
PNG
(CHEMBL3632761)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc([n+]1[O-])C1(O)CCCCC1
Show InChI InChI=1S/C20H22N4O2/c21-19(22)13-7-8-15-14(11-13)12-16(23-15)17-5-4-6-18(24(17)26)20(25)9-2-1-3-10-20/h4-8,11-12,23,25H,1-3,9-10H2,(H3,21,22)
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1.10E+3n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matriptase by fluorescence based assay using 20 uM Boc-Gln-Ala-Arg-7-amido-4-methyl coumarinhydrobromide as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)

More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50130870
PNG
(CHEMBL3632759)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(n1)C1(O)CCCCC1
Show InChI InChI=1S/C20H22N4O/c21-19(22)13-7-8-15-14(11-13)12-17(23-15)16-5-4-6-18(24-16)20(25)9-2-1-3-10-20/h4-8,11-12,23,25H,1-3,9-10H2,(H3,21,22)
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1.30E+3n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human uPA by fluorescence based assay using L-PyroGlu-Gly-Arg-pNA.HCl as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)

More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)
BDBM50130870
PNG
(CHEMBL3632759)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(n1)C1(O)CCCCC1
Show InChI InChI=1S/C20H22N4O/c21-19(22)13-7-8-15-14(11-13)12-17(23-15)16-5-4-6-18(24-16)20(25)9-2-1-3-10-20/h4-8,11-12,23,25H,1-3,9-10H2,(H3,21,22)
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1.40E+3n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of bovine factor 10a by fluorescence based assay using CH3OCO-D-CHA-Gly-Arg-pNA.AcoH as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)

More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50130868
PNG
(CHEMBL3632757)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(N2CCCCC2)c1O
Show InChI InChI=1S/C20H22N4O/c21-20(22)13-7-8-16-14(11-13)12-17(23-16)15-5-4-6-18(19(15)25)24-9-2-1-3-10-24/h4-8,11-12,23,25H,1-3,9-10H2,(H3,21,22)
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1.40E+3n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hepsin by fluorescence based assay using 65 uM BOC-Gln-Arg-Arg -AMC as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)

More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM50130869
PNG
(CHEMBL3632758)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(n1)N1CCCCC1
Show InChI InChI=1S/C19H21N5/c20-19(21)13-7-8-15-14(11-13)12-17(22-15)16-5-4-6-18(23-16)24-9-2-1-3-10-24/h4-8,11-12,22H,1-3,9-10H2,(H3,20,21)
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1.50E+3n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matriptase by fluorescence based assay using 20 uM Boc-Gln-Ala-Arg-7-amido-4-methyl coumarinhydrobromide as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)

More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50130866
PNG
(CHEMBL3632755)
Show SMILES CC(C)c1cccc(-c2cc3cc(ccc3[nH]2)C(N)=N)c1O
Show InChI InChI=1S/C18H19N3O/c1-10(2)13-4-3-5-14(17(13)22)16-9-12-8-11(18(19)20)6-7-15(12)21-16/h3-10,21-22H,1-2H3,(H3,19,20)
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1.90E+3n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human thrombin by fluorescence based assay using 100 uM Boc-Gln-Ala-Arg-7-amido-4-methyl coumarinhydrobromide as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)

More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50130870
PNG
(CHEMBL3632759)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(n1)C1(O)CCCCC1
Show InChI InChI=1S/C20H22N4O/c21-19(22)13-7-8-15-14(11-13)12-17(23-15)16-5-4-6-18(24-16)20(25)9-2-1-3-10-20/h4-8,11-12,23,25H,1-3,9-10H2,(H3,21,22)
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2.10E+3n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human thrombin by fluorescence based assay using 100 uM Boc-Gln-Ala-Arg-7-amido-4-methyl coumarinhydrobromide as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)

More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM50130870
PNG
(CHEMBL3632759)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(n1)C1(O)CCCCC1
Show InChI InChI=1S/C20H22N4O/c21-19(22)13-7-8-15-14(11-13)12-17(23-15)16-5-4-6-18(24-16)20(25)9-2-1-3-10-20/h4-8,11-12,23,25H,1-3,9-10H2,(H3,21,22)
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2.10E+3n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matriptase by fluorescence based assay using 20 uM Boc-Gln-Ala-Arg-7-amido-4-methyl coumarinhydrobromide as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)

More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50130869
PNG
(CHEMBL3632758)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(n1)N1CCCCC1
Show InChI InChI=1S/C19H21N5/c20-19(21)13-7-8-15-14(11-13)12-17(22-15)16-5-4-6-18(23-16)24-9-2-1-3-10-24/h4-8,11-12,22H,1-3,9-10H2,(H3,20,21)
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2.30E+3n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human uPA by fluorescence based assay using L-PyroGlu-Gly-Arg-pNA.HCl as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)

More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50102768
PNG
(2-(2-Hydroxy-phenyl)-1H-indole-5-carboxamidine | C...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1ccccc1O
Show InChI InChI=1S/C15H13N3O/c16-15(17)9-5-6-12-10(7-9)8-13(18-12)11-3-1-2-4-14(11)19/h1-8,18-19H,(H3,16,17)
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2.40E+3n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human uPA by fluorescence based assay using L-PyroGlu-Gly-Arg-pNA.HCl as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)

More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50130871
PNG
(CHEMBL3632760)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(n1)C1(F)CCCCC1
Show InChI InChI=1S/C20H21FN4/c21-20(9-2-1-3-10-20)18-6-4-5-16(25-18)17-12-14-11-13(19(22)23)7-8-15(14)24-17/h4-8,11-12,24H,1-3,9-10H2,(H3,22,23)
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2.70E+3n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human uPA by fluorescence based assay using L-PyroGlu-Gly-Arg-pNA.HCl as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50102768
PNG
(2-(2-Hydroxy-phenyl)-1H-indole-5-carboxamidine | C...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1ccccc1O
Show InChI InChI=1S/C15H13N3O/c16-15(17)9-5-6-12-10(7-9)8-13(18-12)11-3-1-2-4-14(11)19/h1-8,18-19H,(H3,16,17)
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2.70E+3n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by fluorescence based assay using CH3OCO-D-CHA-Gly-Arg-pNA.AcoH as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)

More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50130871
PNG
(CHEMBL3632760)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(n1)C1(F)CCCCC1
Show InChI InChI=1S/C20H21FN4/c21-20(9-2-1-3-10-20)18-6-4-5-16(25-18)17-12-14-11-13(19(22)23)7-8-15(14)24-17/h4-8,11-12,24H,1-3,9-10H2,(H3,22,23)
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3.60E+3n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human thrombin by fluorescence based assay using 100 uM Boc-Gln-Ala-Arg-7-amido-4-methyl coumarinhydrobromide as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)

More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM50130866
PNG
(CHEMBL3632755)
Show SMILES CC(C)c1cccc(-c2cc3cc(ccc3[nH]2)C(N)=N)c1O
Show InChI InChI=1S/C18H19N3O/c1-10(2)13-4-3-5-14(17(13)22)16-9-12-8-11(18(19)20)6-7-15(12)21-16/h3-10,21-22H,1-2H3,(H3,19,20)
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4.40E+3n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matriptase by fluorescence based assay using 20 uM Boc-Gln-Ala-Arg-7-amido-4-methyl coumarinhydrobromide as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)

More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50130867
PNG
(CHEMBL3632756)
Show SMILES CC(C)c1cc(Cl)cc(-c2cc3cc(ccc3[nH]2)C(N)=N)c1O
Show InChI InChI=1S/C18H18ClN3O/c1-9(2)13-7-12(19)8-14(17(13)23)16-6-11-5-10(18(20)21)3-4-15(11)22-16/h3-9,22-23H,1-2H3,(H3,20,21)
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4.80E+3n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hepsin by fluorescence based assay using 65 uM BOC-Gln-Arg-Arg -AMC as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)

More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM50130867
PNG
(CHEMBL3632756)
Show SMILES CC(C)c1cc(Cl)cc(-c2cc3cc(ccc3[nH]2)C(N)=N)c1O
Show InChI InChI=1S/C18H18ClN3O/c1-9(2)13-7-12(19)8-14(17(13)23)16-6-11-5-10(18(20)21)3-4-15(11)22-16/h3-9,22-23H,1-2H3,(H3,20,21)
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4.80E+3n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matriptase by fluorescence based assay using 20 uM Boc-Gln-Ala-Arg-7-amido-4-methyl coumarinhydrobromide as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)

More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50130866
PNG
(CHEMBL3632755)
Show SMILES CC(C)c1cccc(-c2cc3cc(ccc3[nH]2)C(N)=N)c1O
Show InChI InChI=1S/C18H19N3O/c1-10(2)13-4-3-5-14(17(13)22)16-9-12-8-11(18(19)20)6-7-15(12)21-16/h3-10,21-22H,1-2H3,(H3,19,20)
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4.90E+3n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hepsin by fluorescence based assay using 65 uM BOC-Gln-Arg-Arg -AMC as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)

More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50100897
PNG
(2-(2-Hydroxy-phenyl)-1H-benzoimidazole-5-carboxami...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1ccccc1O
Show InChI InChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18)
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5.50E+3n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human uPA by fluorescence based assay using L-PyroGlu-Gly-Arg-pNA.HCl as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)

More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50130874
PNG
(CHEMBL3632761)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc([n+]1[O-])C1(O)CCCCC1
Show InChI InChI=1S/C20H22N4O2/c21-19(22)13-7-8-15-14(11-13)12-16(23-15)17-5-4-6-18(24(17)26)20(25)9-2-1-3-10-20/h4-8,11-12,23,25H,1-3,9-10H2,(H3,21,22)
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7.80E+3n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human uPA by fluorescence based assay using L-PyroGlu-Gly-Arg-pNA.HCl as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)

More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50102768
PNG
(2-(2-Hydroxy-phenyl)-1H-indole-5-carboxamidine | C...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1ccccc1O
Show InChI InChI=1S/C15H13N3O/c16-15(17)9-5-6-12-10(7-9)8-13(18-12)11-3-1-2-4-14(11)19/h1-8,18-19H,(H3,16,17)
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8.00E+3n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human trypsin by fluorescence based assay using 25 uM Boc-Gln-Ala-Arg-7-amido-4-methyl coumarinhydrobromide as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)

More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)
BDBM50130874
PNG
(CHEMBL3632761)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc([n+]1[O-])C1(O)CCCCC1
Show InChI InChI=1S/C20H22N4O2/c21-19(22)13-7-8-15-14(11-13)12-16(23-15)17-5-4-6-18(24(17)26)20(25)9-2-1-3-10-20/h4-8,11-12,23,25H,1-3,9-10H2,(H3,21,22)
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8.20E+3n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of bovine factor 10a by fluorescence based assay using CH3OCO-D-CHA-Gly-Arg-pNA.AcoH as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)

More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50130874
PNG
(CHEMBL3632761)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc([n+]1[O-])C1(O)CCCCC1
Show InChI InChI=1S/C20H22N4O2/c21-19(22)13-7-8-15-14(11-13)12-16(23-15)17-5-4-6-18(24(17)26)20(25)9-2-1-3-10-20/h4-8,11-12,23,25H,1-3,9-10H2,(H3,21,22)
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8.60E+3n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human thrombin by fluorescence based assay using 100 uM Boc-Gln-Ala-Arg-7-amido-4-methyl coumarinhydrobromide as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)

More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50102768
PNG
(2-(2-Hydroxy-phenyl)-1H-indole-5-carboxamidine | C...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1ccccc1O
Show InChI InChI=1S/C15H13N3O/c16-15(17)9-5-6-12-10(7-9)8-13(18-12)11-3-1-2-4-14(11)19/h1-8,18-19H,(H3,16,17)
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1.20E+4n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human plasmin by fluorescence based assay using pyroGlu-Phe-Lys-pNA.HCl as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)

More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50102768
PNG
(2-(2-Hydroxy-phenyl)-1H-indole-5-carboxamidine | C...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1ccccc1O
Show InChI InChI=1S/C15H13N3O/c16-15(17)9-5-6-12-10(7-9)8-13(18-12)11-3-1-2-4-14(11)19/h1-8,18-19H,(H3,16,17)
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1.30E+4n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human thrombin by fluorescence based assay using 100 uM Boc-Gln-Ala-Arg-7-amido-4-methyl coumarinhydrobromide as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)

More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)
BDBM50100897
PNG
(2-(2-Hydroxy-phenyl)-1H-benzoimidazole-5-carboxami...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1ccccc1O
Show InChI InChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18)
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1.40E+4n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of bovine factor 10a by fluorescence based assay using CH3OCO-D-CHA-Gly-Arg-pNA.AcoH as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)

More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50100897
PNG
(2-(2-Hydroxy-phenyl)-1H-benzoimidazole-5-carboxami...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1ccccc1O
Show InChI InChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18)
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2.30E+4n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human trypsin by fluorescence based assay using 25 uM Boc-Gln-Ala-Arg-7-amido-4-methyl coumarinhydrobromide as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)

More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50102768
PNG
(2-(2-Hydroxy-phenyl)-1H-indole-5-carboxamidine | C...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1ccccc1O
Show InChI InChI=1S/C15H13N3O/c16-15(17)9-5-6-12-10(7-9)8-13(18-12)11-3-1-2-4-14(11)19/h1-8,18-19H,(H3,16,17)
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3.50E+4n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hepsin by fluorescence based assay using 65 uM BOC-Gln-Arg-Arg -AMC as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)

More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50100897
PNG
(2-(2-Hydroxy-phenyl)-1H-benzoimidazole-5-carboxami...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1ccccc1O
Show InChI InChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18)
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4.00E+4n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hepsin by fluorescence based assay using 65 uM BOC-Gln-Arg-Arg -AMC as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)

More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50100897
PNG
(2-(2-Hydroxy-phenyl)-1H-benzoimidazole-5-carboxami...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1ccccc1O
Show InChI InChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18)
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4.60E+4n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human plasmin by fluorescence based assay using pyroGlu-Phe-Lys-pNA.HCl as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)

More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50100897
PNG
(2-(2-Hydroxy-phenyl)-1H-benzoimidazole-5-carboxami...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1ccccc1O
Show InChI InChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18)
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5.50E+4n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human thrombin by fluorescence based assay using 100 uM Boc-Gln-Ala-Arg-7-amido-4-methyl coumarinhydrobromide as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)

More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM50102768
PNG
(2-(2-Hydroxy-phenyl)-1H-indole-5-carboxamidine | C...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1ccccc1O
Show InChI InChI=1S/C15H13N3O/c16-15(17)9-5-6-12-10(7-9)8-13(18-12)11-3-1-2-4-14(11)19/h1-8,18-19H,(H3,16,17)
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6.00E+4n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matriptase by fluorescence based assay using 20 uM Boc-Gln-Ala-Arg-7-amido-4-methyl coumarinhydrobromide as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)

More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
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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5.00E+5n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hepsin by fluorescence based assay using 65 uM BOC-Gln-Arg-Arg -AMC as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%