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Found 1503 hits Enz. Inhib. hit(s) with Target = 'Thrombin and urokinase-type plasminogen activator' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Thrombin and 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)

More data for this
Ligand-Target Pair
Thrombin and 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)

More data for this
Ligand-Target Pair
Thrombin and 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)


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thrombin and 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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thrombin and 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 -51.6n/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
Thrombin and 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


Citation and Details
More data for this
Ligand-Target Pair
Thrombin and 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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PubMed
1.40 -52.6n/an/an/an/an/a8.137



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...


Citation and Details
More data for this
Ligand-Target Pair
Thrombin and 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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1.60 -52.2n/an/an/an/an/a8.137



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...


Citation and Details
More data for this
Ligand-Target Pair
Thrombin and 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


Citation and Details
More data for this
Ligand-Target Pair
Thrombin and 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


Citation and Details
More data for this
Ligand-Target Pair
Thrombin and 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)


Citation and Details
More data for this
Ligand-Target Pair
Thrombin and 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)


Citation and Details
More data for this
Ligand-Target Pair
Thrombin and 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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PubMed
2.20 -48.9n/an/an/an/an/a7.422



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)

More data for this
Ligand-Target Pair
Thrombin and 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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2.60 -48.5n/an/an/an/an/a7.422



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)

More data for this
Ligand-Target Pair
Thrombin and 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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2.60 -51.0n/an/an/an/an/a8.137



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...


Citation and Details
More data for this
Ligand-Target Pair
Thrombin and 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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3.20 -48.0n/an/an/an/an/a7.422



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)

More data for this
Ligand-Target Pair
Thrombin and 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


Citation and Details
More data for this
Ligand-Target Pair
Thrombin and 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


Citation and Details
More data for this
Ligand-Target Pair
Thrombin and 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


Citation and Details
More data for this
Ligand-Target Pair
Thrombin and 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)

More data for this
Ligand-Target Pair
Thrombin and 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


Citation and Details
More data for this
Ligand-Target Pair
Thrombin and 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


Citation and Details
More data for this
Ligand-Target Pair
Thrombin and 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


Citation and Details
More data for this
Ligand-Target Pair
Thrombin and 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


Citation and Details
More data for this
Ligand-Target Pair
Thrombin and 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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5.80 -48.9n/an/an/an/an/a8.137



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...


Citation and Details
More data for this
Ligand-Target Pair
Thrombin and 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


Citation and Details
More data for this
Ligand-Target Pair
Thrombin and 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).


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thrombin and 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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thrombin and 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


Citation and Details
More data for this
Ligand-Target Pair
Thrombin and 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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PubMed
7.40 -48.3n/an/an/an/an/a8.137



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...


Citation and Details
More data for this
Ligand-Target Pair
Thrombin and 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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7.40 -48.3n/an/an/an/an/a8.137



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...


Citation and Details
More data for this
Ligand-Target Pair
Thrombin and 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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thrombin and 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)

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


Citation and Details
More data for this
Ligand-Target Pair
Thrombin and 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)

More data for this
Ligand-Target Pair
Thrombin and 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)

More data for this
Ligand-Target Pair
Thrombin and 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 -45.7n/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)

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

More data for this
Ligand-Target Pair
Thrombin and 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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8 -48.1n/an/an/an/an/a8.137



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...


Citation and Details
More data for this
Ligand-Target Pair
Thrombin and 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)


Citation and Details
More data for this
Ligand-Target Pair
Thrombin and 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 -45.9n/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
Thrombin and 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


Citation and Details
More data for this
Ligand-Target Pair
Thrombin and 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


Citation and Details
More data for this
Ligand-Target Pair
Thrombin and 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


Citation and Details
More data for this
Ligand-Target Pair
Thrombin and 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


Citation and Details
More data for this
Ligand-Target Pair
Thrombin and 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)

More data for this
Ligand-Target Pair
Thrombin and 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


Citation and Details
More data for this
Ligand-Target Pair
Thrombin and 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 -45.5n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thrombin and 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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PubMed
9.90 -47.5n/an/an/an/an/a8.137



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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thrombin and urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM81608
PNG
(Isocoumarin, 9b)
Show SMILES NC(=N)SCCCOc1oc(=O)c2cc(NC(=O)c3ccccc3)ccc2c1Cl
Show InChI InChI=1S/C20H18ClN3O4S/c21-16-14-8-7-13(24-17(25)12-5-2-1-3-6-12)11-15(14)18(26)28-19(16)27-9-4-10-29-20(22)23/h1-3,5-8,11H,4,9-10H2,(H3,22,23)(H,24,25)
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10n/an/an/an/an/an/an/an/a



University of New Mexico



Assay Description
Inhibition of human urokinase-type plasminogen activator (uPA).


Citation and Details
More data for this
Ligand-Target Pair
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