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Compile Data Set for Download or QSAR

Found 1144 hits of ki for UniProtKB: P00749   
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
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50034582
PNG
(CHEMBL2448441 | Peptide boronate)
Show SMILES Br.CC1(C)C2CC1[C@]1(C)OB(O[C@@H]1C2)C(CCC\C(S)=N\N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C37H50BN5O6S.BrH/c1-36(2)26-21-29(36)37(3)30(22-26)48-38(49-37)31(17-10-18-32(50)42-39)41-33(44)28-16-11-19-43(28)34(45)27(20-24-12-6-4-7-13-24)40-35(46)47-23-25-14-8-5-9-15-25;/h4-9,12-15,26-31H,10-11,16-23,39H2,1-3H3,(H,40,46)(H,41,44)(H,42,50);1H/t26?,27-,28-,29?,30+,31?,37-;/m0./s1
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0.00860n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Urokinase plasminogen activator


J Med Chem 38: 1511-22 (1995)


Article DOI: 10.1021/jm00009a012
BindingDB Entry DOI: 10.7270/Q2QR4W57
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50103651
PNG
(2-(3'-Amino-5-chloro-2-hydroxy-biphenyl-3-yl)-1H-b...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(Cl)cc(-c2cccc(N)c2)c1O
Show InChI InChI=1S/C20H16ClN5O/c21-12-8-14(10-2-1-3-13(22)6-10)18(27)15(9-12)20-25-16-5-4-11(19(23)24)7-17(16)26-20/h1-9,27H,22H2,(H3,23,24)(H,25,26)
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0.460n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 11: 2253-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00420-6
BindingDB Entry DOI: 10.7270/Q2XG9QD9
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50147093
PNG
(6-Carbamimidoyl-4-(pyrimidin-2-ylamino)-naphthalen...)
Show SMILES NCc1ccc(NC(=O)c2cc(Nc3ncccn3)c3cc(ccc3c2)C(N)=N)cc1
Show InChI InChI=1S/C23H21N7O/c24-13-14-2-6-18(7-3-14)29-22(31)17-10-15-4-5-16(21(25)26)11-19(15)20(12-17)30-23-27-8-1-9-28-23/h1-12H,13,24H2,(H3,25,26)(H,29,31)(H,27,28,30)
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0.620n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Urokinase-type plasminogen activator (urokinase)


Bioorg Med Chem Lett 14: 3063-8 (2004)


Article DOI: 10.1016/s0960-894x(04)00530-x
BindingDB Entry DOI: 10.7270/Q29K49PG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50147093
PNG
(6-Carbamimidoyl-4-(pyrimidin-2-ylamino)-naphthalen...)
Show SMILES NCc1ccc(NC(=O)c2cc(Nc3ncccn3)c3cc(ccc3c2)C(N)=N)cc1
Show InChI InChI=1S/C23H21N7O/c24-13-14-2-6-18(7-3-14)29-22(31)17-10-15-4-5-16(21(25)26)11-19(15)20(12-17)30-23-27-8-1-9-28-23/h1-12H,13,24H2,(H3,25,26)(H,29,31)(H,27,28,30)
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0.631n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of urokinase


J Med Chem 52: 3159-65 (2009)


Article DOI: 10.1021/jm801444x
BindingDB Entry DOI: 10.7270/Q2FF3TM8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM92292
PNG
(uPa_17)
Show SMILES COC(=O)Nc1cc(cc2ccc(cc12)C(N)=N)C(=O)Nc1ccc(CN)cc1
Show InChI InChI=1S/C21H21N5O3/c1-29-21(28)26-18-10-15(8-13-4-5-14(19(23)24)9-17(13)18)20(27)25-16-6-2-12(11-22)3-7-16/h2-10H,11,22H2,1H3,(H3,23,24)(H,25,27)(H,26,28)
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0.900 -12.3n/an/an/an/an/a7.425



CSAR



Assay Description
Abbott uPA__Urokinase Human - Ki(uM)


CSAR 1: (2012)

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
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM16171
PNG
(2-[4-chloro-7-({1-[(4-methylpiperazin-1-yl)carbony...)
Show SMILES CN1CCN(CC1)C(=O)C1(CCCC1)NS(=O)(=O)c1ccc2c(Cl)cnc(N=C(N)N)c2c1
Show InChI InChI=1S/C21H28ClN7O3S/c1-28-8-10-29(11-9-28)19(30)21(6-2-3-7-21)27-33(31,32)14-4-5-15-16(12-14)18(26-20(23)24)25-13-17(15)22/h4-5,12-13,27H,2-3,6-11H2,1H3,(H4,23,24,25,26)
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1.40n/an/an/an/an/an/an/an/a



Pfizer



Assay Description
Ki values for compounds were calculated by incubation of each enzyme with its substrate and various compound concentrations. Absorbance was read at 4...


J Med Chem 50: 2341-51 (2007)


Article DOI: 10.1021/jm061066t
BindingDB Entry DOI: 10.7270/Q27S7M18
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM16170
PNG
(2-(4-chloro-7-{[1-(morpholin-4-ylcarbonyl)cyclopen...)
Show SMILES NC(N)=Nc1ncc(Cl)c2ccc(cc12)S(=O)(=O)NC1(CCCC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C20H25ClN6O4S/c21-16-12-24-17(25-19(22)23)15-11-13(3-4-14(15)16)32(29,30)26-20(5-1-2-6-20)18(28)27-7-9-31-10-8-27/h3-4,11-12,26H,1-2,5-10H2,(H4,22,23,24,25)
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1.60n/an/an/an/an/an/an/an/a



Pfizer



Assay Description
Ki values for compounds were calculated by incubation of each enzyme with its substrate and various compound concentrations. Absorbance was read at 4...


J Med Chem 50: 2341-51 (2007)


Article DOI: 10.1021/jm061066t
BindingDB Entry DOI: 10.7270/Q27S7M18
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50414129
PNG
(CHEMBL562412)
Show SMILES CC(C)C1=NCCc2ccc(NC(=O)c3cc(Nc4ncccn4)c4cc(ccc4c3)C(N)=N)cc12
Show InChI InChI=1S/C28H27N7O/c1-16(2)25-23-15-21(7-6-17(23)8-11-31-25)34-27(36)20-12-18-4-5-19(26(29)30)13-22(18)24(14-20)35-28-32-9-3-10-33-28/h3-7,9-10,12-16H,8,11H2,1-2H3,(H3,29,30)(H,34,36)(H,32,33,35)
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1.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of urokinase


J Med Chem 52: 3159-65 (2009)


Article DOI: 10.1021/jm801444x
BindingDB Entry DOI: 10.7270/Q2FF3TM8
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
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50147096
PNG
(6-Carbamimidoyl-4-(pyrimidin-2-ylamino)-naphthalen...)
Show SMILES NC(=N)c1ccc2cc(cc(Nc3ncccn3)c2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C22H18N6O/c23-20(24)15-8-7-14-11-16(21(29)27-17-5-2-1-3-6-17)13-19(18(14)12-15)28-22-25-9-4-10-26-22/h1-13H,(H3,23,24)(H,27,29)(H,25,26,28)
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2n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Urokinase-type plasminogen activator (urokinase)


Bioorg Med Chem Lett 14: 3063-8 (2004)


Article DOI: 10.1016/s0960-894x(04)00530-x
BindingDB Entry DOI: 10.7270/Q29K49PG
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50147095
PNG
(6-Carbamimidoyl-4-(5-ethanesulfonyl-furan-3-yl)-na...)
Show SMILES CCS(=O)(=O)c1cc(co1)-c1cc(cc2ccc(cc12)C(N)=N)C(=O)Nc1cccc(OC2CCCC2)c1
Show InChI InChI=1S/C29H29N3O5S/c1-2-38(34,35)27-15-21(17-36-27)26-14-20(12-18-10-11-19(28(30)31)13-25(18)26)29(33)32-22-6-5-9-24(16-22)37-23-7-3-4-8-23/h5-6,9-17,23H,2-4,7-8H2,1H3,(H3,30,31)(H,32,33)
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2.10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Urokinase-type plasminogen activator (urokinase)


Bioorg Med Chem Lett 14: 3063-8 (2004)


Article DOI: 10.1016/s0960-894x(04)00530-x
BindingDB Entry DOI: 10.7270/Q29K49PG
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM14352
PNG
(2-{5-[amino(iminiumyl)methyl]-6-chloro-1H-indol-2-...)
Show SMILES CN(C)C(=O)c1cc(-c2cc3cc(C(N)=[NH2+])c(Cl)cc3[nH]2)c([O-])c(c1)-c1ccccc1
Show InChI InChI=1S/C24H21ClN4O2/c1-29(2)24(31)15-9-16(13-6-4-3-5-7-13)22(30)18(10-15)21-11-14-8-17(23(26)27)19(25)12-20(14)28-21/h3-12,28,30H,1-2H3,(H3,26,27)
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2.20n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


J Mol Biol 329: 93-120 (2003)


BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM16165
PNG
(1-({4-chloro-1-[(diaminomethylidene)amino]isoquino...)
Show SMILES CN(C)CCN(C1(CCCC1)C(O)=O)S(=O)(=O)c1ccc2c(Cl)cnc(N=C(N)N)c2c1
Show InChI InChI=1S/C20H27ClN6O4S/c1-26(2)9-10-27(20(18(28)29)7-3-4-8-20)32(30,31)13-5-6-14-15(11-13)17(25-19(22)23)24-12-16(14)21/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,28,29)(H4,22,23,24,25)
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2.60n/an/an/an/an/an/an/an/a



Pfizer



Assay Description
Ki values for compounds were calculated by incubation of each enzyme with its substrate and various compound concentrations. Absorbance was read at 4...


J Med Chem 50: 2341-51 (2007)


Article DOI: 10.1021/jm061066t
BindingDB Entry DOI: 10.7270/Q27S7M18
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM14351
PNG
(2-{5-[amino(iminiumyl)methyl]-6-chloro-1H-indol-2-...)
Show SMILES COc1cc(-c2cc3cc(C(N)=[NH2+])c(Cl)cc3[nH]2)c([O-])c(c1)-c1ccccc1
Show InChI InChI=1S/C22H18ClN3O2/c1-28-14-9-15(12-5-3-2-4-6-12)21(27)17(10-14)20-8-13-7-16(22(24)25)18(23)11-19(13)26-20/h2-11,26-27H,1H3,(H3,24,25)
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2.60n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


J Mol Biol 329: 93-120 (2003)


BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM14354
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-indol-2-yl}-4-(di...)
Show SMILES CN(C)C(=O)c1cc(-c2cc3cc(ccc3[nH]2)C(N)=[NH2+])c([O-])c(c1)-c1ccccc1
Show InChI InChI=1S/C24H22N4O2/c1-28(2)24(30)17-11-18(14-6-4-3-5-7-14)22(29)19(12-17)21-13-16-10-15(23(25)26)8-9-20(16)27-21/h3-13,27,29H,1-2H3,(H3,25,26)
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3.20n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


J Mol Biol 329: 93-120 (2003)


BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
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))
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))
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))
BDBM50034585
PNG
(CHEMBL285285 | Peptide boronate)
Show SMILES CC1(C)C2CC1[C@]1(C)OB(O[C@@H]1C2)C(Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C40H48BN3O6/c1-39(2)30-24-33(39)40(3)34(25-30)49-41(50-40)35(23-28-16-9-5-10-17-28)43-36(45)32-20-13-21-44(32)37(46)31(22-27-14-7-4-8-15-27)42-38(47)48-26-29-18-11-6-12-19-29/h4-12,14-19,30-35H,13,20-26H2,1-3H3,(H,42,47)(H,43,45)/t30?,31-,32-,33?,34+,35?,40-/m0/s1
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>4.30n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Urokinase plasminogen activator


J Med Chem 38: 1511-22 (1995)


Article DOI: 10.1021/jm00009a012
BindingDB Entry DOI: 10.7270/Q2QR4W57
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50157087
PNG
(6-(2-Phenyl-cyclopropyl)-8-(pyrimidin-2-ylamino)-n...)
Show SMILES NC(=N)c1ccc2cc(cc(Nc3ncccn3)c2c1)C1CC1c1ccccc1
Show InChI InChI=1S/C24H21N5/c25-23(26)17-8-7-16-11-18(20-14-19(20)15-5-2-1-3-6-15)13-22(21(16)12-17)29-24-27-9-4-10-28-24/h1-13,19-20H,14H2,(H3,25,26)(H,27,28,29)
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5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of urokinase


J Med Chem 52: 3159-65 (2009)


Article DOI: 10.1021/jm801444x
BindingDB Entry DOI: 10.7270/Q2FF3TM8
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50157087
PNG
(6-(2-Phenyl-cyclopropyl)-8-(pyrimidin-2-ylamino)-n...)
Show SMILES NC(=N)c1ccc2cc(cc(Nc3ncccn3)c2c1)C1CC1c1ccccc1
Show InChI InChI=1S/C24H21N5/c25-23(26)17-8-7-16-11-18(20-14-19(20)15-5-2-1-3-6-15)13-22(21(16)12-17)29-24-27-9-4-10-28-24/h1-13,19-20H,14H2,(H3,25,26)(H,27,28,29)
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5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against urokinase plasminogen activator


Bioorg Med Chem Lett 15: 93-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.026
BindingDB Entry DOI: 10.7270/Q2R210W5
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
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM16154
PNG
(1-({4-chloro-1-[(diaminomethylidene)amino]isoquino...)
Show SMILES NC(N)=Nc1ncc(Cl)c2ccc(cc12)S(=O)(=O)NC1(CCCC1)C(O)=O
Show InChI InChI=1S/C16H18ClN5O4S/c17-12-8-20-13(21-15(18)19)11-7-9(3-4-10(11)12)27(25,26)22-16(14(23)24)5-1-2-6-16/h3-4,7-8,22H,1-2,5-6H2,(H,23,24)(H4,18,19,20,21)
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5.80n/an/an/an/an/an/an/an/a



Pfizer



Assay Description
Ki values for compounds were calculated by incubation of each enzyme with its substrate and various compound concentrations. Absorbance was read at 4...


J Med Chem 50: 2341-51 (2007)


Article DOI: 10.1021/jm061066t
BindingDB Entry DOI: 10.7270/Q27S7M18
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))
BDBM50138673
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (4-e...)
Show SMILES CCC1CNCc2ccc(NC(=O)c3ccc4cc(ccc4c3)C(N)=N)cc12
Show InChI InChI=1S/C23H24N4O/c1-2-14-12-26-13-19-7-8-20(11-21(14)19)27-23(28)18-6-4-15-9-17(22(24)25)5-3-16(15)10-18/h3-11,14,26H,2,12-13H2,1H3,(H3,24,25)(H,27,28)
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6.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of urokinase


J Med Chem 52: 3159-65 (2009)


Article DOI: 10.1021/jm801444x
BindingDB Entry DOI: 10.7270/Q2FF3TM8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50138673
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (4-e...)
Show SMILES CCC1CNCc2ccc(NC(=O)c3ccc4cc(ccc4c3)C(N)=N)cc12
Show InChI InChI=1S/C23H24N4O/c1-2-14-12-26-13-19-7-8-20(11-21(14)19)27-23(28)18-6-4-15-9-17(22(24)25)5-3-16(15)10-18/h3-11,14,26H,2,12-13H2,1H3,(H3,24,25)(H,27,28)
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6.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human urokinase-type plasminogen activator (microPa).


J Med Chem 47: 303-24 (2004)


Article DOI: 10.1021/jm0300072
BindingDB Entry DOI: 10.7270/Q2BR8RMH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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))
BDBM16156
PNG
(4-({4-chloro-1-[(diaminomethylidene)amino]isoquino...)
Show SMILES NC(N)=Nc1ncc(Cl)c2ccc(cc12)S(=O)(=O)NC1(CCOCC1)C(O)=O
Show InChI InChI=1S/C16H18ClN5O5S/c17-12-8-20-13(21-15(18)19)11-7-9(1-2-10(11)12)28(25,26)22-16(14(23)24)3-5-27-6-4-16/h1-2,7-8,22H,3-6H2,(H,23,24)(H4,18,19,20,21)
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7.40n/an/an/an/an/an/an/an/a



Pfizer



Assay Description
Ki values for compounds were calculated by incubation of each enzyme with its substrate and various compound concentrations. Absorbance was read at 4...


J Med Chem 50: 2341-51 (2007)


Article DOI: 10.1021/jm061066t
BindingDB Entry DOI: 10.7270/Q27S7M18
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM16153
PNG
(1-({4-chloro-1-[(diaminomethylidene)amino]isoquino...)
Show SMILES NC(N)=Nc1ncc(Cl)c2ccc(cc12)S(=O)(=O)NC1(CCC1)C(O)=O
Show InChI InChI=1S/C15H16ClN5O4S/c16-11-7-19-12(20-14(17)18)10-6-8(2-3-9(10)11)26(24,25)21-15(13(22)23)4-1-5-15/h2-3,6-7,21H,1,4-5H2,(H,22,23)(H4,17,18,19,20)
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7.40n/an/an/an/an/an/an/an/a



Pfizer



Assay Description
Ki values for compounds were calculated by incubation of each enzyme with its substrate and various compound concentrations. Absorbance was read at 4...


J Med Chem 50: 2341-51 (2007)


Article DOI: 10.1021/jm061066t
BindingDB Entry DOI: 10.7270/Q27S7M18
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50110025
PNG
(CHEMBL158405 | N-(BENZYLSULFONYL)-D-SERYL-N-{4-[AM...)
Show SMILES C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C21H27N5O5S/c1-14(20(28)24-11-15-7-9-17(10-8-15)19(22)23)25-21(29)18(12-27)26-32(30,31)13-16-5-3-2-4-6-16/h2-10,14,18,26-27H,11-13H2,1H3,(H3,22,23)(H,24,28)(H,25,29)/t14-,18+/m0/s1
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7.70n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human uPA using pyroGlu-Gly-Arg-p-NA.HCl as substrate preincubated for 15 mins prior sustrate addition measured for 10 mins by spectrop...


Bioorg Med Chem 20: 1557-68 (2012)


Article DOI: 10.1016/j.bmc.2011.12.040
BindingDB Entry DOI: 10.7270/Q2QR4XK1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50110025
PNG
(CHEMBL158405 | N-(BENZYLSULFONYL)-D-SERYL-N-{4-[AM...)
Show SMILES C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C21H27N5O5S/c1-14(20(28)24-11-15-7-9-17(10-8-15)19(22)23)25-21(29)18(12-27)26-32(30,31)13-16-5-3-2-4-6-16/h2-10,14,18,26-27H,11-13H2,1H3,(H3,22,23)(H,24,28)(H,25,29)/t14-,18+/m0/s1
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7.70n/an/an/an/an/an/an/an/a



Universitat Jena

Curated by ChEMBL


Assay Description
In vitro inhibition of plasminogen activator urokinase.


Bioorg Med Chem Lett 12: 645-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00815-0
BindingDB Entry DOI: 10.7270/Q2NZ86XS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50102780
PNG
(2-(2-Hydroxy-3-phenyl-phenyl)-1H-indole-5-carboxam...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1O
Show InChI InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23)
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8n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Human Serine Protease Urokinase Plasminogen Activator


J Med Chem 44: 2753-71 (2001)


Article DOI: 10.1021/jm0100638
BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50102780
PNG
(2-(2-Hydroxy-3-phenyl-phenyl)-1H-indole-5-carboxam...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1O
Show InChI InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23)
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8n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of human urokinase type plasminogen activator (microPa)


J Med Chem 44: 3856-71 (2001)


Article DOI: 10.1021/jm010244+
BindingDB Entry DOI: 10.7270/Q22R3QXR
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50115874
PNG
(2-(2-Hydroxy-3-phenoxy-phenyl)-1H-indole-5-carboxa...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(Oc2ccccc2)c1O
Show InChI InChI=1S/C21H17N3O2/c22-21(23)13-9-10-17-14(11-13)12-18(24-17)16-7-4-8-19(20(16)25)26-15-5-2-1-3-6-15/h1-12,24-25H,(H3,22,23)
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8n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of urokinase-type plasminogen activator


Bioorg Med Chem Lett 12: 2019-22 (2002)


Article DOI: 10.1016/s0960-894x(02)00311-6
BindingDB Entry DOI: 10.7270/Q237782T
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM16155
PNG
(1-({4-chloro-1-[(diaminomethylidene)amino]isoquino...)
Show SMILES NC(N)=Nc1ncc(Cl)c2ccc(cc12)S(=O)(=O)NC1(CCCCC1)C(O)=O
Show InChI InChI=1S/C17H20ClN5O4S/c18-13-9-21-14(22-16(19)20)12-8-10(4-5-11(12)13)28(26,27)23-17(15(24)25)6-2-1-3-7-17/h4-5,8-9,23H,1-3,6-7H2,(H,24,25)(H4,19,20,21,22)
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8n/an/an/an/an/an/an/an/a



Pfizer



Assay Description
Ki values for compounds were calculated by incubation of each enzyme with its substrate and various compound concentrations. Absorbance was read at 4...


J Med Chem 50: 2341-51 (2007)


Article DOI: 10.1021/jm061066t
BindingDB Entry DOI: 10.7270/Q27S7M18
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
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM14142
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-indol-2-yl}-6-phe...)
Show SMILES NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1[O-]
Show InChI InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23)
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8 -10.9n/an/an/an/an/a7.422



Axys Pharmaceutical



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Chem Biol 8: 1107-21 (2001)


Article DOI: 10.1016/S1074-5521(01)00084-9
BindingDB Entry DOI: 10.7270/Q2S75DKN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50147089
PNG
(6-Carbamimidoyl-4-(tetrahydro-furan-3-yl)-naphthal...)
Show SMILES CC(C)Oc1cccc(NC(=O)c2cc(C3CCOC3)c3cc(ccc3c2)C(N)=N)c1
Show InChI InChI=1S/C25H27N3O3/c1-15(2)31-21-5-3-4-20(13-21)28-25(29)19-10-16-6-7-17(24(26)27)11-22(16)23(12-19)18-8-9-30-14-18/h3-7,10-13,15,18H,8-9,14H2,1-2H3,(H3,26,27)(H,28,29)
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8.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Urokinase-type plasminogen activator (urokinase)


Bioorg Med Chem Lett 14: 3063-8 (2004)


Article DOI: 10.1016/s0960-894x(04)00530-x
BindingDB Entry DOI: 10.7270/Q29K49PG
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50106240
PNG
(6-Chloro-2-(2-hydroxy-biphenyl-3-yl)-1H-indole-5-c...)
Show SMILES NC(=N)c1cc2cc([nH]c2cc1Cl)-c1cccc(-c2ccccc2)c1O
Show InChI InChI=1S/C21H16ClN3O/c22-17-11-18-13(9-16(17)21(23)24)10-19(25-18)15-8-4-7-14(20(15)26)12-5-2-1-3-6-12/h1-11,25-26H,(H3,23,24)
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9n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of human urokinase type plasminogen activator (microPa)


J Med Chem 44: 3856-71 (2001)


Article DOI: 10.1021/jm010244+
BindingDB Entry DOI: 10.7270/Q22R3QXR
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50147416
PNG
(3-(4-Chloro-1-guanidino-isoquinolin-7-yl)-4-methox...)
Show SMILES COc1ccc(cc1-c1ccc2c(Cl)cnc(N=C(N)N)c2c1)C(O)=O
Show InChI InChI=1S/C18H15ClN4O3/c1-26-15-5-3-10(17(24)25)7-12(15)9-2-4-11-13(6-9)16(23-18(20)21)22-8-14(11)19/h2-8H,1H3,(H,24,25)(H4,20,21,22,23)
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9n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human urokinase-type plasminogen activator was evaluated using S-2444 as substrate


Bioorg Med Chem Lett 14: 3227-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.094
BindingDB Entry DOI: 10.7270/Q2125S3C
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM92321
PNG
(uPa_43)
Show SMILES CC(C)C1N(C)CCc2ccc(cc12)C1CC1c1cc(\C=C\C2CC2)c2cc(ccc2c1)C(N)=N
Show InChI InChI=1S/C32H37N3/c1-19(2)31-30-16-24(9-8-21(30)12-13-35(31)3)28-18-29(28)26-14-22(7-6-20-4-5-20)27-17-25(32(33)34)11-10-23(27)15-26/h6-11,14-17,19-20,28-29,31H,4-5,12-13,18H2,1-3H3,(H3,33,34)/b7-6+
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9 -11.0n/an/an/an/an/a7.425



CSAR



Assay Description
Abbott uPA__Urokinase Human - Ki(uM)


CSAR 1: (2012)

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
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM14152
PNG
(6-CHLORO-2-(2-HYDROXY-BIPHENYL-3-YL)-1H-INDOLE-5-C...)
Show SMILES NC(=[NH2+])c1cc2cc([nH]c2cc1Cl)-c1cccc(-c2ccccc2)c1O
Show InChI InChI=1S/C21H16ClN3O/c22-17-11-18-13(9-16(17)21(23)24)10-19(25-18)15-8-4-7-14(20(15)26)12-5-2-1-3-6-12/h1-11,25-26H,(H3,23,24)/p+1
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9 -10.9n/an/an/an/an/a7.422



Axys Pharmaceutical



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Chem Biol 8: 1107-21 (2001)


Article DOI: 10.1016/S1074-5521(01)00084-9
BindingDB Entry DOI: 10.7270/Q2S75DKN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM16159
PNG
((2R)-1-({4-chloro-1-[(diaminomethylidene)amino]iso...)
Show SMILES NC(N)=Nc1ncc(Cl)c2ccc(cc12)S(=O)(=O)N1CCC[C@@H]1C(O)=O
Show InChI InChI=1S/C15H16ClN5O4S/c16-11-7-19-13(20-15(17)18)10-6-8(3-4-9(10)11)26(24,25)21-5-1-2-12(21)14(22)23/h3-4,6-7,12H,1-2,5H2,(H,22,23)(H4,17,18,19,20)/t12-/m1/s1
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9.90n/an/an/an/an/an/an/an/a



Pfizer



Assay Description
Ki values for compounds were calculated by incubation of each enzyme with its substrate and various compound concentrations. Absorbance was read at 4...


J Med Chem 50: 2341-51 (2007)


Article DOI: 10.1021/jm061066t
BindingDB Entry DOI: 10.7270/Q27S7M18
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50157094
PNG
(8-(Pyrimidin-2-ylamino)-6-((E)-styryl)-naphthalene...)
Show SMILES NC(=N)c1ccc2cc(\C=C\c3ccccc3)cc(Nc3ncccn3)c2c1
Show InChI InChI=1S/C23H19N5/c24-22(25)19-10-9-18-13-17(8-7-16-5-2-1-3-6-16)14-21(20(18)15-19)28-23-26-11-4-12-27-23/h1-15H,(H3,24,25)(H,26,27,28)/b8-7+
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10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against urokinase plasminogen activator


Bioorg Med Chem Lett 15: 93-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.026
BindingDB Entry DOI: 10.7270/Q2R210W5
More data for this
Ligand-Target Pair
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