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PubMed code 15214776

Compile data set for download or QSAR
Found 17 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50149275
PNG
(2-(1-benzyl-5-(4-(trifluoromethoxy)phenyl)-1H-indo...)
Show SMILES OC(=O)C(=O)c1cn(Cc2ccccc2)c2ccc(cc12)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C24H16F3NO4/c25-24(26,27)32-18-9-6-16(7-10-18)17-8-11-21-19(12-17)20(22(29)23(30)31)14-28(21)13-15-4-2-1-3-5-15/h1-12,14H,13H2,(H,30,31)
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PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human plasminogen activator inhibitor-1


J Med Chem 47: 3491-4 (2004)


Article DOI: 10.1021/jm049766q
BindingDB Entry DOI: 10.7270/Q2D21X3X
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50104518
PNG
(3-[1-[5-(2-Dimethylamino-ethylsulfanyl)-thiophen-2...)
Show SMILES CN(C)CCSc1ccc(\C=c2/[nH]c(=O)\c(=C\c3ccccc3)[nH]c2=O)s1
Show InChI InChI=1S/C20H21N3O2S2/c1-23(2)10-11-26-18-9-8-15(27-18)13-17-20(25)21-16(19(24)22-17)12-14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3,(H,21,25)(H,22,24)/b16-12-,17-13-
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n/an/a 8.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human plasminogen activator inhibitor-1


J Med Chem 47: 3491-4 (2004)


Article DOI: 10.1021/jm049766q
BindingDB Entry DOI: 10.7270/Q2D21X3X
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50149272
PNG
(CHEMBL325424 | [1-(4-tert-Butyl-benzyl)-5-m-tolyl-...)
Show SMILES Cc1cccc(c1)-c1ccc2n(Cc3ccc(cc3)C(C)(C)C)cc(C(=O)C(O)=O)c2c1
Show InChI InChI=1S/C28H27NO3/c1-18-6-5-7-20(14-18)21-10-13-25-23(15-21)24(26(30)27(31)32)17-29(25)16-19-8-11-22(12-9-19)28(2,3)4/h5-15,17H,16H2,1-4H3,(H,31,32)
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n/an/a 8.60E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human plasminogen activator inhibitor-1


J Med Chem 47: 3491-4 (2004)


Article DOI: 10.1021/jm049766q
BindingDB Entry DOI: 10.7270/Q2D21X3X
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50149273
PNG
(CHEMBL119611 | [1-Benzyl-5-(3-trifluoromethoxy-phe...)
Show SMILES OC(=O)C(=O)c1cn(Cc2ccccc2)c2ccc(cc12)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C24H16F3NO4/c25-24(26,27)32-18-8-4-7-16(11-18)17-9-10-21-19(12-17)20(22(29)23(30)31)14-28(21)13-15-5-2-1-3-6-15/h1-12,14H,13H2,(H,30,31)
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n/an/a 9.80E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human plasminogen activator inhibitor-1


J Med Chem 47: 3491-4 (2004)


Article DOI: 10.1021/jm049766q
BindingDB Entry DOI: 10.7270/Q2D21X3X
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50149282
PNG
(CHEMBL119346 | [1-Benzyl-7-(4-trifluoromethoxy-phe...)
Show SMILES OC(=O)C(=O)c1cn(Cc2ccccc2)c2c(cccc12)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C24H16F3NO4/c25-24(26,27)32-17-11-9-16(10-12-17)18-7-4-8-19-20(22(29)23(30)31)14-28(21(18)19)13-15-5-2-1-3-6-15/h1-12,14H,13H2,(H,30,31)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human plasminogen activator inhibitor-1


J Med Chem 47: 3491-4 (2004)


Article DOI: 10.1021/jm049766q
BindingDB Entry DOI: 10.7270/Q2D21X3X
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50149281
PNG
(CHEMBL115866 | [1-(4-tert-Butyl-benzyl)-5-(3-tert-...)
Show SMILES CC(C)(C)c1ccc(Cn2cc(C(=O)C(O)=O)c3cc(ccc23)-c2cccc(c2)C(C)(C)C)cc1
Show InChI InChI=1S/C31H33NO3/c1-30(2,3)23-13-10-20(11-14-23)18-32-19-26(28(33)29(34)35)25-17-22(12-15-27(25)32)21-8-7-9-24(16-21)31(4,5)6/h7-17,19H,18H2,1-6H3,(H,34,35)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human plasminogen activator inhibitor-1


J Med Chem 47: 3491-4 (2004)


Article DOI: 10.1021/jm049766q
BindingDB Entry DOI: 10.7270/Q2D21X3X
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50149284
PNG
(2-Hydroxy-4-(2-phenyl-4,5-dihydro-benzo[e]indol-3-...)
Show SMILES OC(=O)c1ccc(cc1O)-n1c2CCc3ccccc3-c2cc1-c1ccccc1
Show InChI InChI=1S/C25H19NO3/c27-24-14-18(11-12-20(24)25(28)29)26-22-13-10-16-6-4-5-9-19(16)21(22)15-23(26)17-7-2-1-3-8-17/h1-9,11-12,14-15,27H,10,13H2,(H,28,29)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human plasminogen activator inhibitor-1


J Med Chem 47: 3491-4 (2004)


Article DOI: 10.1021/jm049766q
BindingDB Entry DOI: 10.7270/Q2D21X3X
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50149274
PNG
(2-[4-(3,4-Dichloro-phenylcarbamoyl)-benzylamino]-4...)
Show SMILES OC(=O)c1ccc(cc1NCc1ccc(cc1)C(=O)Nc1ccc(Cl)c(Cl)c1)[N+]([O-])=O
Show InChI InChI=1S/C21H15Cl2N3O5/c22-17-8-5-14(9-18(17)23)25-20(27)13-3-1-12(2-4-13)11-24-19-10-15(26(30)31)6-7-16(19)21(28)29/h1-10,24H,11H2,(H,25,27)(H,28,29)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human plasminogen activator inhibitor-1


J Med Chem 47: 3491-4 (2004)


Article DOI: 10.1021/jm049766q
BindingDB Entry DOI: 10.7270/Q2D21X3X
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50149276
PNG
(CHEMBL117713 | [1-(4-tert-Butyl-benzyl)-5-(4-trifl...)
Show SMILES CC(C)(C)c1ccc(Cn2cc(C(=O)C(O)=O)c3cc(ccc23)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C28H24F3NO4/c1-27(2,3)20-9-4-17(5-10-20)15-32-16-23(25(33)26(34)35)22-14-19(8-13-24(22)32)18-6-11-21(12-7-18)36-28(29,30)31/h4-14,16H,15H2,1-3H3,(H,34,35)
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n/an/a 1.60E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human plasminogen activator inhibitor-1


J Med Chem 47: 3491-4 (2004)


Article DOI: 10.1021/jm049766q
BindingDB Entry DOI: 10.7270/Q2D21X3X
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50149278
PNG
(CHEMBL117099 | [1-Benzyl-6-(4-trifluoromethoxy-phe...)
Show SMILES OC(=O)C(=O)c1cn(Cc2ccccc2)c2cc(ccc12)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C24H16F3NO4/c25-24(26,27)32-18-9-6-16(7-10-18)17-8-11-19-20(22(29)23(30)31)14-28(21(19)12-17)13-15-4-2-1-3-5-15/h1-12,14H,13H2,(H,30,31)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human plasminogen activator inhibitor-1


J Med Chem 47: 3491-4 (2004)


Article DOI: 10.1021/jm049766q
BindingDB Entry DOI: 10.7270/Q2D21X3X
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50149277
PNG
(CHEMBL117359 | [1-(4-tert-Butyl-benzyl)-5-(3-metho...)
Show SMILES COc1cccc(c1)-c1ccc2n(Cc3ccc(cc3)C(C)(C)C)cc(C(=O)C(O)=O)c2c1
Show InChI InChI=1S/C28H27NO4/c1-28(2,3)21-11-8-18(9-12-21)16-29-17-24(26(30)27(31)32)23-15-20(10-13-25(23)29)19-6-5-7-22(14-19)33-4/h5-15,17H,16H2,1-4H3,(H,31,32)
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n/an/a 2.10E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human plasminogen activator inhibitor-1


J Med Chem 47: 3491-4 (2004)


Article DOI: 10.1021/jm049766q
BindingDB Entry DOI: 10.7270/Q2D21X3X
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50149283
PNG
((1-Benzyl-6-phenyl-1H-indol-3-yl)-oxo-acetic acid ...)
Show SMILES OC(=O)C(=O)c1cn(Cc2ccccc2)c2cc(ccc12)-c1ccccc1
Show InChI InChI=1S/C23H17NO3/c25-22(23(26)27)20-15-24(14-16-7-3-1-4-8-16)21-13-18(11-12-19(20)21)17-9-5-2-6-10-17/h1-13,15H,14H2,(H,26,27)
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n/an/a 2.60E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human plasminogen activator inhibitor-1


J Med Chem 47: 3491-4 (2004)


Article DOI: 10.1021/jm049766q
BindingDB Entry DOI: 10.7270/Q2D21X3X
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50149271
PNG
(CHEMBL325206 | [1-(4-Fluoro-benzyl)-6-phenyl-1H-in...)
Show SMILES OC(=O)C(=O)c1cn(Cc2ccc(F)cc2)c2cc(ccc12)-c1ccccc1
Show InChI InChI=1S/C23H16FNO3/c24-18-9-6-15(7-10-18)13-25-14-20(22(26)23(27)28)19-11-8-17(12-21(19)25)16-4-2-1-3-5-16/h1-12,14H,13H2,(H,27,28)
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n/an/a 3.50E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human plasminogen activator inhibitor-1


J Med Chem 47: 3491-4 (2004)


Article DOI: 10.1021/jm049766q
BindingDB Entry DOI: 10.7270/Q2D21X3X
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50149280
PNG
(CHEMBL325696 | [1-(4-tert-Butyl-benzyl)-6-(4-trifl...)
Show SMILES CC(C)(C)c1ccc(Cn2cc(C(=O)C(O)=O)c3ccc(cc23)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C28H24F3NO4/c1-27(2,3)20-9-4-17(5-10-20)15-32-16-23(25(33)26(34)35)22-13-8-19(14-24(22)32)18-6-11-21(12-7-18)36-28(29,30)31/h4-14,16H,15H2,1-3H3,(H,34,35)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human plasminogen activator inhibitor-1


J Med Chem 47: 3491-4 (2004)


Article DOI: 10.1021/jm049766q
BindingDB Entry DOI: 10.7270/Q2D21X3X
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50149279
PNG
(CHEMBL332886 | [1-Benzyl-4-(4-trifluoromethoxy-phe...)
Show SMILES OC(=O)C(=O)c1cn(Cc2ccccc2)c2cccc(-c3ccc(OC(F)(F)F)cc3)c12
Show InChI InChI=1S/C24H16F3NO4/c25-24(26,27)32-17-11-9-16(10-12-17)18-7-4-8-20-21(18)19(22(29)23(30)31)14-28(20)13-15-5-2-1-3-6-15/h1-12,14H,13H2,(H,30,31)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human plasminogen activator inhibitor-1


J Med Chem 47: 3491-4 (2004)


Article DOI: 10.1021/jm049766q
BindingDB Entry DOI: 10.7270/Q2D21X3X
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Rattus norvegicus)
BDBM50149275
PNG
(2-(1-benzyl-5-(4-(trifluoromethoxy)phenyl)-1H-indo...)
Show SMILES OC(=O)C(=O)c1cn(Cc2ccccc2)c2ccc(cc12)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C24H16F3NO4/c25-24(26,27)32-18-9-6-16(7-10-18)17-8-11-21-19(12-17)20(22(29)23(30)31)14-28(21)13-15-4-2-1-3-5-15/h1-12,14H,13H2,(H,30,31)
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n/an/an/a 5.00E+3n/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity of compound towards latent Plasminogen activator inhibitor-1 expressed as apparent Kd


J Med Chem 47: 3491-4 (2004)


Article DOI: 10.1021/jm049766q
BindingDB Entry DOI: 10.7270/Q2D21X3X
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Rattus norvegicus)
BDBM50149275
PNG
(2-(1-benzyl-5-(4-(trifluoromethoxy)phenyl)-1H-indo...)
Show SMILES OC(=O)C(=O)c1cn(Cc2ccccc2)c2ccc(cc12)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C24H16F3NO4/c25-24(26,27)32-18-9-6-16(7-10-18)17-8-11-21-19(12-17)20(22(29)23(30)31)14-28(21)13-15-4-2-1-3-5-15/h1-12,14H,13H2,(H,30,31)
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n/an/an/a 480n/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity of the compound to towards NBD-labeled S119C Plasminogen activator inhibitor-1 mutant in rat


J Med Chem 47: 3491-4 (2004)


Article DOI: 10.1021/jm049766q
BindingDB Entry DOI: 10.7270/Q2D21X3X
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%