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Compile Data Set for Download or QSAR

Found 281 hits with Last Name = 'jaleel' and Initial = 'm'   
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 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)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine protease 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)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
More data for this
Ligand-Target Pair
Serine protease 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)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
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)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
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)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein


(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)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
More data for this
Ligand-Target Pair
Serine protease 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)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
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)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
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)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein


(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)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
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)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
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)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein


(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)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
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)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
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)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
More data for this
Ligand-Target Pair
Serine protease 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)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein


(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)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
More data for this
Ligand-Target Pair
Prothrombin


(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)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein


(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)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
More data for this
Ligand-Target Pair
Prothrombin


(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)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
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)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
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)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
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)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
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)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
More data for this
Ligand-Target Pair
Prothrombin


(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)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein


(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)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
More data for this
Ligand-Target Pair
Serine protease 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)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein


(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)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
More data for this
Ligand-Target Pair
Serine protease 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)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
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)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
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)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
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)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
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)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
More data for this
Ligand-Target Pair
Prothrombin


(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)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
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)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
More data for this
Ligand-Target Pair
Prothrombin


(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)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
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)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
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)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
More data for this
Ligand-Target Pair
Serine protease 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)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
More data for this
Ligand-Target Pair
Serine protease 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)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
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)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
More data for this
Ligand-Target Pair
Prothrombin


(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)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein


(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)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
More data for this
Ligand-Target Pair
Serine protease 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)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 30


(Homo sapiens (Human))
BDBM490051
PNG
((S)-N-(1-((4-(N-(tert- butyl)sulfamoyl)phenyl)amin...)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](Cc2cccs2)NC(=O)c2ccc(F)cc2)cc1 |r|
Show InChI InChI=1S/C24H26FN3O4S2/c1-24(2,3)28-34(31,32)20-12-10-18(11-13-20)26-23(30)21(15-19-5-4-14-33-19)27-22(29)16-6-8-17(25)9-7-16/h4-14,21,28H,15H2,1-3H3,(H,26,30)(H,27,29)/t21-/m0/s1
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n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of USP30 (unknown origin) using Ubiquitin-Rhodamine110-Glycine as substrate incubated for 15 mins followed by substrate addition and measu...


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.05.013
BindingDB Entry DOI: 10.7270/Q2NK3JNN
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 30


(Homo sapiens (Human))
BDBM490037
PNG
((S)-N-(1-((4-(N-(tert- butyl)sulfamoyl)phenyl)amin...)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(F)cc2)cc1 |r|
Show InChI InChI=1S/C26H34FN3O4S/c1-26(2,3)30-35(33,34)22-15-13-21(14-16-22)28-25(32)23(17-18-7-5-4-6-8-18)29-24(31)19-9-11-20(27)12-10-19/h9-16,18,23,30H,4-8,17H2,1-3H3,(H,28,32)(H,29,31)/t23-/m0/s1
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Assay Description
Inhibition of USP30 (unknown origin) using Ubiquitin-Rhodamine110-Glycine as substrate incubated for 15 mins followed by substrate addition and measu...


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.05.013
BindingDB Entry DOI: 10.7270/Q2NK3JNN
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 30


(Homo sapiens (Human))
BDBM490029
PNG
((S)-N-(1-((4-(tert- butyl)sulfamoyl)phenyl)amino)-...)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(F)cc2)cc1 |r|
Show InChI InChI=1S/C26H28FN3O4S/c1-26(2,3)30-35(33,34)22-15-13-21(14-16-22)28-25(32)23(17-18-7-5-4-6-8-18)29-24(31)19-9-11-20(27)12-10-19/h4-16,23,30H,17H2,1-3H3,(H,28,32)(H,29,31)/t23-/m0/s1
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TBA

Assay Description
Inhibition of USP30 (unknown origin) using Ubiquitin-Rhodamine110-Glycine as substrate incubated for 15 mins followed by substrate addition and measu...


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.05.013
BindingDB Entry DOI: 10.7270/Q2NK3JNN
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 30


(Homo sapiens (Human))
BDBM490068
PNG
((S)-N-(1-((4-(N-(tert- butyl)sulfamoyl)phenyl)amin...)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](Cc2ccncc2)NC(=O)c2ccc(F)cc2)cc1 |r|
Show InChI InChI=1S/C25H27FN4O4S/c1-25(2,3)30-35(33,34)21-10-8-20(9-11-21)28-24(32)22(16-17-12-14-27-15-13-17)29-23(31)18-4-6-19(26)7-5-18/h4-15,22,30H,16H2,1-3H3,(H,28,32)(H,29,31)/t22-/m0/s1
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n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of USP30 (unknown origin) using Ubiquitin-Rhodamine110-Glycine as substrate incubated for 15 mins followed by substrate addition and measu...


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.05.013
BindingDB Entry DOI: 10.7270/Q2NK3JNN
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 30


(Homo sapiens (Human))
BDBM490042
PNG
((S)-N-(1-((4-(N-(tert- butyl)sulfamoyl)phenyl)amin...)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(F)c(F)c2)cc1 |r|
Show InChI InChI=1S/C26H33F2N3O4S/c1-26(2,3)31-36(34,35)20-12-10-19(11-13-20)29-25(33)23(15-17-7-5-4-6-8-17)30-24(32)18-9-14-21(27)22(28)16-18/h9-14,16-17,23,31H,4-8,15H2,1-3H3,(H,29,33)(H,30,32)/t23-/m0/s1
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n/an/a 30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of USP30 (unknown origin) using Ubiquitin-Rhodamine110-Glycine as substrate incubated for 15 mins followed by substrate addition and measu...


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.05.013
BindingDB Entry DOI: 10.7270/Q2NK3JNN
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 30


(Homo sapiens (Human))
BDBM490045
PNG
((S)-N-(1-((4-(N-(tert- butyl)sulfamoyl)phenyl)amin...)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](Cc2cccs2)NC(=O)C2CCCCC2)cc1 |r|
Show InChI InChI=1S/C24H33N3O4S2/c1-24(2,3)27-33(30,31)20-13-11-18(12-14-20)25-23(29)21(16-19-10-7-15-32-19)26-22(28)17-8-5-4-6-9-17/h7,10-15,17,21,27H,4-6,8-9,16H2,1-3H3,(H,25,29)(H,26,28)/t21-/m0/s1
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n/an/a 30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of USP30 (unknown origin) using Ubiquitin-Rhodamine110-Glycine as substrate incubated for 15 mins followed by substrate addition and measu...


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.05.013
BindingDB Entry DOI: 10.7270/Q2NK3JNN
More data for this
Ligand-Target Pair
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