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Compile Data Set for Download or QSAR

Found 260 hits from Aurigene Discovery Technologies Limited   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Plasminogen


(Homo sapiens (human))
BDBM50017932
PNG
(CHEMBL3289039)
Show SMILES N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(Oc2ccc(N)cc2)cc(Oc2ccc(cc2)C(N)=N)c1
Show InChI InChI=1S/C26H29N5O3/c27-18-3-7-20(8-4-18)31-26(32)17-13-23(33-21-9-1-16(2-10-21)25(29)30)15-24(14-17)34-22-11-5-19(28)6-12-22/h1-2,5-6,9-15,18,20H,3-4,7-8,27-28H2,(H3,29,30)(H,31,32)/t18-,20-
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0n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human plasmin using pyroGlu-Phe-Lys-pNA.HCl


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50017933
PNG
(CHEMBL3289299)
Show SMILES NCc1ccc(Oc2cc(Oc3ccc(CN)cc3)cc(c2)C(=O)N[C@H]2CC[C@H](N)CC2)cc1
Show InChI InChI=1S/C27H32N4O3/c28-16-18-1-9-23(10-2-18)33-25-13-20(27(32)31-22-7-5-21(30)6-8-22)14-26(15-25)34-24-11-3-19(17-29)4-12-24/h1-4,9-15,21-22H,5-8,16-17,28-30H2,(H,31,32)/t21-,22-
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0n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human plasmin using pyroGlu-Phe-Lys-pNA.HCl


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50017894
PNG
(CHEMBL3289040)
Show SMILES N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(Oc2ccc(cc2)C(N)=N)cc(Oc2ccc(N)nc2)c1
Show InChI InChI=1S/C25H28N6O3/c26-17-3-5-18(6-4-17)31-25(32)16-11-21(33-19-7-1-15(2-8-19)24(28)29)13-22(12-16)34-20-9-10-23(27)30-14-20/h1-2,7-14,17-18H,3-6,26H2,(H2,27,30)(H3,28,29)(H,31,32)/t17-,18-
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0n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human plasmin using pyroGlu-Phe-Lys-pNA.HCl


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM50017931
PNG
(CHEMBL3289302)
Show SMILES NCCC1CCN(CC1)C(=O)[C@@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(c1)C1CCC(N)=NC1
Show InChI InChI=1S/C28H39N7O3S/c29-12-9-19-10-13-35(14-11-19)28(36)25(16-20-3-1-5-22(15-20)27(31)32)34-39(37,38)24-6-2-4-21(17-24)23-7-8-26(30)33-18-23/h1-6,15,17,19,23,25,34H,7-14,16,18,29H2,(H2,30,33)(H3,31,32)/t23?,25-/m1/s1
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0.0800n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant matriptase (unknown origin) using Boc-Gln-Ala-Arg-7-amido-4-methyl coumarin hydrobromide


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50017925
PNG
(CHEMBL3289041)
Show SMILES N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(Oc2ccc(cc2)C(N)=N)cc(Oc2ccc(cc2)C(N)=O)c1
Show InChI InChI=1S/C27H29N5O4/c28-19-5-7-20(8-6-19)32-27(34)18-13-23(35-21-9-1-16(2-10-21)25(29)30)15-24(14-18)36-22-11-3-17(4-12-22)26(31)33/h1-4,9-15,19-20H,5-8,28H2,(H3,29,30)(H2,31,33)(H,32,34)/t19-,20-
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1n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM50017916
PNG
(CHEMBL3289038)
Show SMILES N[C@H]1CC[C@@H](CC1)OC(=O)c1cc(Oc2ccc(cc2)C(N)=N)cc(Oc2ccc(cc2)C(N)=N)c1
Show InChI InChI=1S/C27H29N5O4/c28-19-5-11-22(12-6-19)36-27(33)18-13-23(34-20-7-1-16(2-8-20)25(29)30)15-24(14-18)35-21-9-3-17(4-10-21)26(31)32/h1-4,7-10,13-15,19,22H,5-6,11-12,28H2,(H3,29,30)(H3,31,32)/t19-,22-
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1n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant matriptase (unknown origin) using Boc-Gln-Ala-Arg-7-amido-4-methyl coumarin hydrobromide


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50017924
PNG
(CHEMBL3289044)
Show SMILES NCCC(=O)Nc1ccc(Oc2cc(Oc3ccc(cc3)C(N)=N)cc(c2)C(=O)N[C@H]2CC[C@H](N)CC2)cc1
Show InChI InChI=1S/C29H34N6O4/c30-14-13-27(36)34-21-7-11-24(12-8-21)39-26-16-19(29(37)35-22-5-3-20(31)4-6-22)15-25(17-26)38-23-9-1-18(2-10-23)28(32)33/h1-2,7-12,15-17,20,22H,3-6,13-14,30-31H2,(H3,32,33)(H,34,36)(H,35,37)/t20-,22-
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2n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM50017902
PNG
(CHEMBL3289034)
Show SMILES N[C@H]1CC[C@@H](CC1)C(=O)Nc1cc(Oc2ccc(cc2)C(N)=N)cc(Oc2ccc(cc2)C(N)=N)c1
Show InChI InChI=1S/C27H30N6O3/c28-19-7-1-18(2-8-19)27(34)33-20-13-23(35-21-9-3-16(4-10-21)25(29)30)15-24(14-20)36-22-11-5-17(6-12-22)26(31)32/h3-6,9-15,18-19H,1-2,7-8,28H2,(H3,29,30)(H3,31,32)(H,33,34)/t18-,19-
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3n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant matriptase (unknown origin) using Boc-Gln-Ala-Arg-7-amido-4-methyl coumarin hydrobromide


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM50017934
PNG
(CHEMBL3289301)
Show SMILES N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(OCc2cccc(c2)C(N)=N)cc(OCc2cccc(c2)C(N)=N)c1
Show InChI InChI=1S/C29H34N6O3/c30-23-7-9-24(10-8-23)35-29(36)22-13-25(37-16-18-3-1-5-20(11-18)27(31)32)15-26(14-22)38-17-19-4-2-6-21(12-19)28(33)34/h1-6,11-15,23-24H,7-10,16-17,30H2,(H3,31,32)(H3,33,34)(H,35,36)/t23-,24-
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3n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant matriptase (unknown origin) using Boc-Gln-Ala-Arg-7-amido-4-methyl coumarin hydrobromide


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50017929
PNG
(CHEMBL3289024)
Show SMILES NCCC1CCN(CC1)C(=O)c1cc(Oc2ccc(cc2)C(N)=N)cc(Oc2ccc(cc2)C(N)=N)c1
Show InChI InChI=1S/C28H32N6O3/c29-12-9-18-10-13-34(14-11-18)28(35)21-15-24(36-22-5-1-19(2-6-22)26(30)31)17-25(16-21)37-23-7-3-20(4-8-23)27(32)33/h1-8,15-18H,9-14,29H2,(H3,30,31)(H3,32,33)
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4n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50017932
PNG
(CHEMBL3289039)
Show SMILES N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(Oc2ccc(N)cc2)cc(Oc2ccc(cc2)C(N)=N)c1
Show InChI InChI=1S/C26H29N5O3/c27-18-3-7-20(8-4-18)31-26(32)17-13-23(33-21-9-1-16(2-10-21)25(29)30)15-24(14-17)34-22-11-5-19(28)6-12-22/h1-2,5-6,9-15,18,20H,3-4,7-8,27-28H2,(H3,29,30)(H,31,32)/t18-,20-
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4n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50017933
PNG
(CHEMBL3289299)
Show SMILES NCc1ccc(Oc2cc(Oc3ccc(CN)cc3)cc(c2)C(=O)N[C@H]2CC[C@H](N)CC2)cc1
Show InChI InChI=1S/C27H32N4O3/c28-16-18-1-9-23(10-2-18)33-25-13-20(27(32)31-22-7-5-21(30)6-8-22)14-26(15-25)34-24-11-3-19(17-29)4-12-24/h1-4,9-15,21-22H,5-8,16-17,28-30H2,(H,31,32)/t21-,22-
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4n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50017894
PNG
(CHEMBL3289040)
Show SMILES N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(Oc2ccc(cc2)C(N)=N)cc(Oc2ccc(N)nc2)c1
Show InChI InChI=1S/C25H28N6O3/c26-17-3-5-18(6-4-17)31-25(32)16-11-21(33-19-7-1-15(2-8-19)24(28)29)13-22(12-16)34-20-9-10-23(27)30-14-20/h1-2,7-14,17-18H,3-6,26H2,(H2,27,30)(H3,28,29)(H,31,32)/t17-,18-
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5n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50017923
PNG
(CHEMBL3289298)
Show SMILES NCc1ccc(Oc2cc(Oc3ccc(cc3)C(N)=N)cc(c2)C(=O)N[C@H]2CC[C@H](N)CC2)cc1
Show InChI InChI=1S/C27H31N5O3/c28-16-17-1-9-22(10-2-17)34-24-13-19(27(33)32-21-7-5-20(29)6-8-21)14-25(15-24)35-23-11-3-18(4-12-23)26(30)31/h1-4,9-15,20-21H,5-8,16,28-29H2,(H3,30,31)(H,32,33)/t20-,21-
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5n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50017927
PNG
(CHEMBL3289045)
Show SMILES N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(OCc2ccc(Br)nc2)cc(Oc2ccc(cc2)C(N)=N)c1
Show InChI InChI=1S/C26H28BrN5O3/c27-24-10-1-16(14-31-24)15-34-22-11-18(26(33)32-20-6-4-19(28)5-7-20)12-23(13-22)35-21-8-2-17(3-9-21)25(29)30/h1-3,8-14,19-20H,4-7,15,28H2,(H3,29,30)(H,32,33)/t19-,20-
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5n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human plasmin using pyroGlu-Phe-Lys-pNA.HCl


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM50017919
PNG
(CHEMBL3289043)
Show SMILES N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(OCc2cccc(c2)C(N)=N)cc(Oc2ccc(cc2)C(N)=N)c1
Show InChI InChI=1S/C28H32N6O3/c29-21-6-8-22(9-7-21)34-28(35)20-13-24(36-16-17-2-1-3-19(12-17)27(32)33)15-25(14-20)37-23-10-4-18(5-11-23)26(30)31/h1-5,10-15,21-22H,6-9,16,29H2,(H3,30,31)(H3,32,33)(H,34,35)/t21-,22-
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6n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant matriptase (unknown origin) using Boc-Gln-Ala-Arg-7-amido-4-methyl coumarin hydrobromide


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50017918
PNG
(CHEMBL3289026)
Show SMILES CCOC(=O)N1CCC(CC1)NC(=O)c1cc(Oc2ccc(cc2)C(N)=N)cc(Oc2ccc(cc2)C(N)=N)c1
Show InChI InChI=1S/C29H32N6O5/c1-2-38-29(37)35-13-11-21(12-14-35)34-28(36)20-15-24(39-22-7-3-18(4-8-22)26(30)31)17-25(16-20)40-23-9-5-19(6-10-23)27(32)33/h3-10,15-17,21H,2,11-14H2,1H3,(H3,30,31)(H3,32,33)(H,34,36)
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6n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50017920
PNG
(CHEMBL3289042)
Show SMILES N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(OCc2ccc(cc2)C(N)=N)cc(Oc2ccc(cc2)C(N)=N)c1
Show InChI InChI=1S/C28H32N6O3/c29-21-7-9-22(10-8-21)34-28(35)20-13-24(36-16-17-1-3-18(4-2-17)26(30)31)15-25(14-20)37-23-11-5-19(6-12-23)27(32)33/h1-6,11-15,21-22H,7-10,16,29H2,(H3,30,31)(H3,32,33)(H,34,35)/t21-,22-
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7n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50017927
PNG
(CHEMBL3289045)
Show SMILES N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(OCc2ccc(Br)nc2)cc(Oc2ccc(cc2)C(N)=N)c1
Show InChI InChI=1S/C26H28BrN5O3/c27-24-10-1-16(14-31-24)15-34-22-11-18(26(33)32-20-6-4-19(28)5-7-20)12-23(13-22)35-21-8-2-17(3-9-21)25(29)30/h1-3,8-14,19-20H,4-7,15,28H2,(H3,29,30)(H,32,33)/t19-,20-
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8n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50017923
PNG
(CHEMBL3289298)
Show SMILES NCc1ccc(Oc2cc(Oc3ccc(cc3)C(N)=N)cc(c2)C(=O)N[C@H]2CC[C@H](N)CC2)cc1
Show InChI InChI=1S/C27H31N5O3/c28-16-17-1-9-22(10-2-17)34-24-13-19(27(33)32-21-7-5-20(29)6-8-21)14-25(15-24)35-23-11-3-18(4-12-23)26(30)31/h1-4,9-15,20-21H,5-8,16,28-29H2,(H3,30,31)(H,32,33)/t20-,21-
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8n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human plasmin using pyroGlu-Phe-Lys-pNA.HCl


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50017924
PNG
(CHEMBL3289044)
Show SMILES NCCC(=O)Nc1ccc(Oc2cc(Oc3ccc(cc3)C(N)=N)cc(c2)C(=O)N[C@H]2CC[C@H](N)CC2)cc1
Show InChI InChI=1S/C29H34N6O4/c30-14-13-27(36)34-21-7-11-24(12-8-21)39-26-16-19(29(37)35-22-5-3-20(31)4-6-22)15-25(17-26)38-23-9-1-18(2-10-23)28(32)33/h1-2,7-12,15-17,20,22H,3-6,13-14,30-31H2,(H3,32,33)(H,34,36)(H,35,37)/t20-,22-
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8n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human plasmin using pyroGlu-Phe-Lys-pNA.HCl


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50017925
PNG
(CHEMBL3289041)
Show SMILES N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(Oc2ccc(cc2)C(N)=N)cc(Oc2ccc(cc2)C(N)=O)c1
Show InChI InChI=1S/C27H29N5O4/c28-19-5-7-20(8-6-19)32-27(34)18-13-23(35-21-9-1-16(2-10-21)25(29)30)15-24(14-18)36-22-11-3-17(4-12-22)26(31)33/h1-4,9-15,19-20H,5-8,28H2,(H3,29,30)(H2,31,33)(H,32,34)/t19-,20-
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8n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human plasmin using pyroGlu-Phe-Lys-pNA.HCl


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50017906
PNG
(CHEMBL3289017)
Show SMILES NC(=N)c1ccc(Oc2cc(Oc3ccc(cc3)C(N)=N)cc(c2)C(=O)NC2CCCCC2)cc1
Show InChI InChI=1S/C27H29N5O3/c28-25(29)17-6-10-21(11-7-17)34-23-14-19(27(33)32-20-4-2-1-3-5-20)15-24(16-23)35-22-12-8-18(9-13-22)26(30)31/h6-16,20H,1-5H2,(H3,28,29)(H3,30,31)(H,32,33)
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9n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50017935
PNG
(CHEMBL3289021)
Show SMILES NC(=N)c1ccc(Oc2cc(Oc3ccc(cc3)C(N)=N)cc(c2)C(=O)NC2CCN(CCO)CC2)cc1
Show InChI InChI=1S/C28H32N6O4/c29-26(30)18-1-5-22(6-2-18)37-24-15-20(28(36)33-21-9-11-34(12-10-21)13-14-35)16-25(17-24)38-23-7-3-19(4-8-23)27(31)32/h1-8,15-17,21,35H,9-14H2,(H3,29,30)(H3,31,32)(H,33,36)
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9n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50017936
PNG
(CHEMBL3289022)
Show SMILES NCCCN1CCC(CC1)NC(=O)c1cc(Oc2ccc(cc2)C(N)=N)cc(Oc2ccc(cc2)C(N)=N)c1
Show InChI InChI=1S/C29H35N7O3/c30-12-1-13-36-14-10-22(11-15-36)35-29(37)21-16-25(38-23-6-2-19(3-7-23)27(31)32)18-26(17-21)39-24-8-4-20(5-9-24)28(33)34/h2-9,16-18,22H,1,10-15,30H2,(H3,31,32)(H3,33,34)(H,35,37)
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9n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50017917
PNG
(CHEMBL3289032)
Show SMILES NCCC(=O)N1CCC(CC1)C(=O)Nc1cc(Oc2ccc(cc2)C(N)=N)cc(Oc2ccc(cc2)C(N)=N)c1
Show InChI InChI=1S/C29H33N7O4/c30-12-9-26(37)36-13-10-20(11-14-36)29(38)35-21-15-24(39-22-5-1-18(2-6-22)27(31)32)17-25(16-21)40-23-7-3-19(4-8-23)28(33)34/h1-8,15-17,20H,9-14,30H2,(H3,31,32)(H3,33,34)(H,35,38)
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9n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM50017897
PNG
(CHEMBL3289023)
Show SMILES N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(Oc2ccc(cc2)C(N)=N)cc(Oc2ccc(cc2)C(N)=N)c1
Show InChI InChI=1S/C27H30N6O3/c28-19-5-7-20(8-6-19)33-27(34)18-13-23(35-21-9-1-16(2-10-21)25(29)30)15-24(14-18)36-22-11-3-17(4-12-22)26(31)32/h1-4,9-15,19-20H,5-8,28H2,(H3,29,30)(H3,31,32)(H,33,34)/t19-,20-
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10n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant matriptase (unknown origin) using Boc-Gln-Ala-Arg-7-amido-4-methyl coumarin hydrobromide


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Matriptase


(Homo sapiens (human))
BDBM50017920
PNG
(CHEMBL3289042)
Show SMILES N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(OCc2ccc(cc2)C(N)=N)cc(Oc2ccc(cc2)C(N)=N)c1
Show InChI InChI=1S/C28H32N6O3/c29-21-7-9-22(10-8-21)34-28(35)20-13-24(36-16-17-1-3-18(4-2-17)26(30)31)15-25(14-20)37-23-11-5-19(6-12-23)27(32)33/h1-6,11-15,21-22H,7-10,16,29H2,(H3,30,31)(H3,32,33)(H,34,35)/t21-,22-
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10n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant matriptase (unknown origin) using Boc-Gln-Ala-Arg-7-amido-4-methyl coumarin hydrobromide


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50017893
PNG
(CHEMBL3289036)
Show SMILES NC(=N)c1ccc(Oc2cc(NS(=O)(=O)c3ccc(F)cc3)cc(Oc3ccc(cc3)C(N)=N)c2)cc1
Show InChI InChI=1S/C26H22FN5O4S/c27-18-5-11-24(12-6-18)37(33,34)32-19-13-22(35-20-7-1-16(2-8-20)25(28)29)15-23(14-19)36-21-9-3-17(4-10-21)26(30)31/h1-15,32H,(H3,28,29)(H3,30,31)
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10n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50017904
PNG
(CHEMBL3289031)
Show SMILES CC1CCC(CC1)C(=O)Nc1cc(Oc2ccc(cc2)C(N)=N)cc(Oc2ccc(cc2)C(N)=N)c1
Show InChI InChI=1S/C28H31N5O3/c1-17-2-4-20(5-3-17)28(34)33-21-14-24(35-22-10-6-18(7-11-22)26(29)30)16-25(15-21)36-23-12-8-19(9-13-23)27(31)32/h6-17,20H,2-5H2,1H3,(H3,29,30)(H3,31,32)(H,33,34)
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10n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50017934
PNG
(CHEMBL3289301)
Show SMILES N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(OCc2cccc(c2)C(N)=N)cc(OCc2cccc(c2)C(N)=N)c1
Show InChI InChI=1S/C29H34N6O3/c30-23-7-9-24(10-8-23)35-29(36)22-13-25(37-16-18-3-1-5-20(11-18)27(31)32)15-26(14-22)38-17-19-4-2-6-21(12-19)28(33)34/h1-6,11-15,23-24H,7-10,16-17,30H2,(H3,31,32)(H3,33,34)(H,35,36)/t23-,24-
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10n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human plasmin using pyroGlu-Phe-Lys-pNA.HCl


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50017919
PNG
(CHEMBL3289043)
Show SMILES N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(OCc2cccc(c2)C(N)=N)cc(Oc2ccc(cc2)C(N)=N)c1
Show InChI InChI=1S/C28H32N6O3/c29-21-6-8-22(9-7-21)34-28(35)20-13-24(36-16-17-2-1-3-19(12-17)27(32)33)15-25(14-20)37-23-10-4-18(5-11-23)26(30)31/h1-5,10-15,21-22H,6-9,16,29H2,(H3,30,31)(H3,32,33)(H,34,35)/t21-,22-
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11n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50017934
PNG
(CHEMBL3289301)
Show SMILES N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(OCc2cccc(c2)C(N)=N)cc(OCc2cccc(c2)C(N)=N)c1
Show InChI InChI=1S/C29H34N6O3/c30-23-7-9-24(10-8-23)35-29(36)22-13-25(37-16-18-3-1-5-20(11-18)27(31)32)15-26(14-22)38-17-19-4-2-6-21(12-19)28(33)34/h1-6,11-15,23-24H,7-10,16-17,30H2,(H3,31,32)(H3,33,34)(H,35,36)/t23-,24-
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11n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50017928
PNG
(CHEMBL3289029)
Show SMILES NC(=N)c1ccc(Oc2cc(Oc3ccc(cc3)C(N)=N)cc(c2)C(=O)N2CCc3ccccc3C2)cc1
Show InChI InChI=1S/C30H27N5O3/c31-28(32)20-5-9-24(10-6-20)37-26-15-23(30(36)35-14-13-19-3-1-2-4-22(19)18-35)16-27(17-26)38-25-11-7-21(8-12-25)29(33)34/h1-12,15-17H,13-14,18H2,(H3,31,32)(H3,33,34)
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12n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50017937
PNG
(CHEMBL3289027)
Show SMILES NC(=N)c1ccc(Oc2cc(Oc3ccc(cc3)C(N)=N)cc(c2)C(=O)N2CCC(CC2)C(O)=O)cc1
Show InChI InChI=1S/C27H27N5O5/c28-24(29)16-1-5-20(6-2-16)36-22-13-19(26(33)32-11-9-18(10-12-32)27(34)35)14-23(15-22)37-21-7-3-17(4-8-21)25(30)31/h1-8,13-15,18H,9-12H2,(H3,28,29)(H3,30,31)(H,34,35)
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12n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50017911
PNG
(CHEMBL3289033)
Show SMILES NCCN1CCC(CC1)C(=O)Nc1cc(Oc2ccc(cc2)C(N)=N)cc(Oc2ccc(cc2)C(N)=N)c1
Show InChI InChI=1S/C28H33N7O3/c29-11-14-35-12-9-20(10-13-35)28(36)34-21-15-24(37-22-5-1-18(2-6-22)26(30)31)17-25(16-21)38-23-7-3-19(4-8-23)27(32)33/h1-8,15-17,20H,9-14,29H2,(H3,30,31)(H3,32,33)(H,34,36)
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12n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50017938
PNG
(CHEMBL3289015)
Show SMILES NC(=N)c1ccc(Oc2cc(Oc3ccc(cc3)C(N)=N)cc(c2)C(N)=O)cc1
Show InChI InChI=1S/C21H19N5O3/c22-19(23)12-1-5-15(6-2-12)28-17-9-14(21(26)27)10-18(11-17)29-16-7-3-13(4-8-16)20(24)25/h1-11H,(H3,22,23)(H3,24,25)(H2,26,27)
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13n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50017900
PNG
(CHEMBL3289018)
Show SMILES NC(=N)c1ccc(Oc2cc(Oc3ccc(cc3)C(N)=N)cc(c2)C(=O)NCC2CCCCC2)cc1
Show InChI InChI=1S/C28H31N5O3/c29-26(30)19-6-10-22(11-7-19)35-24-14-21(28(34)33-17-18-4-2-1-3-5-18)15-25(16-24)36-23-12-8-20(9-13-23)27(31)32/h6-16,18H,1-5,17H2,(H3,29,30)(H3,31,32)(H,33,34)
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13n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50017939
PNG
(CHEMBL3289028)
Show SMILES NC(=N)c1ccc(Oc2cc(Oc3ccc(cc3)C(N)=N)cc(c2)C(=O)N2CCC3CCCCC3C2)cc1
Show InChI InChI=1S/C30H33N5O3/c31-28(32)20-5-9-24(10-6-20)37-26-15-23(30(36)35-14-13-19-3-1-2-4-22(19)18-35)16-27(17-26)38-25-11-7-21(8-12-25)29(33)34/h5-12,15-17,19,22H,1-4,13-14,18H2,(H3,31,32)(H3,33,34)
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13n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50017940
PNG
(CHEMBL3289037)
Show SMILES NC(=N)c1ccc(Oc2cc(NS(=O)(=O)c3ccc4ccccc4c3)cc(Oc3ccc(cc3)C(N)=N)c2)cc1
Show InChI InChI=1S/C30H25N5O4S/c31-29(32)20-5-10-24(11-6-20)38-26-16-23(17-27(18-26)39-25-12-7-21(8-13-25)30(33)34)35-40(36,37)28-14-9-19-3-1-2-4-22(19)15-28/h1-18,35H,(H3,31,32)(H3,33,34)
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13n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50017919
PNG
(CHEMBL3289043)
Show SMILES N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(OCc2cccc(c2)C(N)=N)cc(Oc2ccc(cc2)C(N)=N)c1
Show InChI InChI=1S/C28H32N6O3/c29-21-6-8-22(9-7-21)34-28(35)20-13-24(36-16-17-2-1-3-19(12-17)27(32)33)15-25(14-20)37-23-10-4-18(5-11-23)26(30)31/h1-5,10-15,21-22H,6-9,16,29H2,(H3,30,31)(H3,32,33)(H,34,35)/t21-,22-
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13n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human plasmin using pyroGlu-Phe-Lys-pNA.HCl


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50017895
PNG
(CHEMBL3289297)
Show SMILES N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(OCc2ccc(Br)cc2)cc(Oc2ccc(cc2)C(N)=N)c1
Show InChI InChI=1S/C27H29BrN4O3/c28-20-5-1-17(2-6-20)16-34-24-13-19(27(33)32-22-9-7-21(29)8-10-22)14-25(15-24)35-23-11-3-18(4-12-23)26(30)31/h1-6,11-15,21-22H,7-10,16,29H2,(H3,30,31)(H,32,33)/t21-,22-
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13n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human plasmin using pyroGlu-Phe-Lys-pNA.HCl


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50017897
PNG
(CHEMBL3289023)
Show SMILES N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(Oc2ccc(cc2)C(N)=N)cc(Oc2ccc(cc2)C(N)=N)c1
Show InChI InChI=1S/C27H30N6O3/c28-19-5-7-20(8-6-19)33-27(34)18-13-23(35-21-9-1-16(2-10-21)25(29)30)15-24(14-18)36-22-11-3-17(4-12-22)26(31)32/h1-4,9-15,19-20H,5-8,28H2,(H3,29,30)(H3,31,32)(H,33,34)/t19-,20-
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14n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50017941
PNG
(CHEMBL3289020)
Show SMILES NC(=N)c1ccc(Oc2cc(Oc3ccc(cc3)C(N)=N)cc(c2)C(=O)NC2CCC(O)CC2)cc1
Show InChI InChI=1S/C27H29N5O4/c28-25(29)16-1-9-21(10-2-16)35-23-13-18(27(34)32-19-5-7-20(33)8-6-19)14-24(15-23)36-22-11-3-17(4-12-22)26(30)31/h1-4,9-15,19-20,33H,5-8H2,(H3,28,29)(H3,30,31)(H,32,34)
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15n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50017943
PNG
(CHEMBL3289300)
Show SMILES N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(OCc2ccc(cc2)C(N)=N)cc(OCc2ccc(cc2)C(N)=N)c1
Show InChI InChI=1S/C29H34N6O3/c30-23-9-11-24(12-10-23)35-29(36)22-13-25(37-16-18-1-5-20(6-2-18)27(31)32)15-26(14-22)38-17-19-3-7-21(8-4-19)28(33)34/h1-8,13-15,23-24H,9-12,16-17,30H2,(H3,31,32)(H3,33,34)(H,35,36)/t23-,24-
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15n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50017942
PNG
(CHEMBL3289046)
Show SMILES N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(OCc2ccc(Cl)cc2)cc(Oc2ccc(cc2)C(N)=N)c1
Show InChI InChI=1S/C27H29ClN4O3/c28-20-5-1-17(2-6-20)16-34-24-13-19(27(33)32-22-9-7-21(29)8-10-22)14-25(15-24)35-23-11-3-18(4-12-23)26(30)31/h1-6,11-15,21-22H,7-10,16,29H2,(H3,30,31)(H,32,33)/t21-,22-
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15n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50017922
PNG
(CHEMBL3289025)
Show SMILES NC(=N)c1ccc(Oc2cc(Oc3ccc(cc3)C(N)=N)cc(c2)C(=O)NCC2CCC(O)CC2)cc1
Show InChI InChI=1S/C28H31N5O4/c29-26(30)18-3-9-22(10-4-18)36-24-13-20(28(35)33-16-17-1-7-21(34)8-2-17)14-25(15-24)37-23-11-5-19(6-12-23)27(31)32/h3-6,9-15,17,21,34H,1-2,7-8,16H2,(H3,29,30)(H3,31,32)(H,33,35)
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16n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50017943
PNG
(CHEMBL3289300)
Show SMILES N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(OCc2ccc(cc2)C(N)=N)cc(OCc2ccc(cc2)C(N)=N)c1
Show InChI InChI=1S/C29H34N6O3/c30-23-9-11-24(12-10-23)35-29(36)22-13-25(37-16-18-1-5-20(6-2-18)27(31)32)15-26(14-22)38-17-19-3-7-21(8-4-19)28(33)34/h1-8,13-15,23-24H,9-12,16-17,30H2,(H3,31,32)(H3,33,34)(H,35,36)/t23-,24-
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16n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human plasmin using pyroGlu-Phe-Lys-pNA.HCl


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50017930
PNG
(CHEMBL3289035)
Show SMILES NC(=N)c1ccc(Oc2cc(NC(=O)C3CCN(CCO)CC3)cc(Oc3ccc(cc3)C(N)=N)c2)cc1
Show InChI InChI=1S/C28H32N6O4/c29-26(30)18-1-5-22(6-2-18)37-24-15-21(33-28(36)20-9-11-34(12-10-20)13-14-35)16-25(17-24)38-23-7-3-19(4-8-23)27(31)32/h1-8,15-17,20,35H,9-14H2,(H3,29,30)(H3,31,32)(H,33,36)
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17n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM50017930
PNG
(CHEMBL3289035)
Show SMILES NC(=N)c1ccc(Oc2cc(NC(=O)C3CCN(CCO)CC3)cc(Oc3ccc(cc3)C(N)=N)c2)cc1
Show InChI InChI=1S/C28H32N6O4/c29-26(30)18-1-5-22(6-2-18)37-24-15-21(33-28(36)20-9-11-34(12-10-20)13-14-35)16-25(17-24)38-23-7-3-19(4-8-23)27(31)32/h1-8,15-17,20,35H,9-14H2,(H3,29,30)(H3,31,32)(H,33,36)
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18n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant matriptase (unknown origin) using Boc-Gln-Ala-Arg-7-amido-4-methyl coumarin hydrobromide


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair
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