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Compile Data Set for Download or QSAR

Found 15 hits of ki for UniProtKB: P09211   
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
Glutathione S-transferase P


(Homo sapiens (Human))
BDBM50043760
PNG
(2-Amino-4-[1-[(carboxy-phenyl-methyl)-carbamoyl]-2...)
Show SMILES NC(CCC(=O)NC(CSCc1ccc(Cl)cc1)C(=O)NC(C(O)=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C23H26ClN3O6S/c24-16-8-6-14(7-9-16)12-34-13-18(26-19(28)11-10-17(25)22(30)31)21(29)27-20(23(32)33)15-4-2-1-3-5-15/h1-9,17-18,20H,10-13,25H2,(H,26,28)(H,27,29)(H,30,31)(H,32,33)
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120n/an/an/an/an/an/an/an/a



Terrapin Technologies

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was measured on recombinant human Glutathione S-transferase P


J Med Chem 37: 189-94 (1994)


BindingDB Entry DOI: 10.7270/Q21V5D1V
More data for this
Ligand-Target Pair
Glutathione S-transferase P


(Homo sapiens (Human))
BDBM50562986
PNG
(CHEMBL4757438)
Show SMILES CN(C)CCCNC(=O)CCC(=O)OCCCCCCSc1ccc([N+]([O-])=O)c2nonc12
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170n/an/an/an/an/an/an/an/a


TBA

Assay Description
Time dependent inhibition of GSTP1-1 (unknown origin) assessed as inhibition constant using reduced GSH and CDNB as substrate by spectrophotometric m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02048
BindingDB Entry DOI: 10.7270/Q27948D3
More data for this
Ligand-Target Pair
Glutathione S-transferase P


(Homo sapiens (Human))
BDBM50043762
PNG
(2-Amino-4-{2-benzylsulfanyl-1-[(carboxy-phenyl-met...)
Show SMILES NC(CCC(=O)NC(CSCc1ccccc1)C(=O)NC(C(O)=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C23H27N3O6S/c24-17(22(29)30)11-12-19(27)25-18(14-33-13-15-7-3-1-4-8-15)21(28)26-20(23(31)32)16-9-5-2-6-10-16/h1-10,17-18,20H,11-14,24H2,(H,25,27)(H,26,28)(H,29,30)(H,31,32)
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420n/an/an/an/an/an/an/an/a



Terrapin Technologies

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was measured on recombinant human Glutathione S-transferase P


J Med Chem 37: 189-94 (1994)


BindingDB Entry DOI: 10.7270/Q21V5D1V
More data for this
Ligand-Target Pair
Glutathione S-transferase P


(Homo sapiens (Human))
BDBM50173725
PNG
(2-Amino-4-[1-(carboxymethyl-carbamoyl)-2-(2-hydrox...)
Show SMILES NC(CCC(=O)NC(CSCC(O)c1ccccc1)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C18H25N3O7S/c19-12(18(27)28)6-7-15(23)21-13(17(26)20-8-16(24)25)9-29-10-14(22)11-4-2-1-3-5-11/h1-5,12-14,22H,6-10,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)
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490n/an/an/an/an/an/an/an/a



Università della Magna Graecia

Curated by ChEMBL


Assay Description
Inhibition constant against glutathione S-transferase pi using GSH (0.1-3mM), 1 mM 1-chloro-2,4-dinitrobenzene


J Med Chem 48: 6084-9 (2005)


Article DOI: 10.1021/jm0504609
BindingDB Entry DOI: 10.7270/Q22R3R6R
More data for this
Ligand-Target Pair
Glutathione S-transferase P


(Homo sapiens (Human))
BDBM50173727
PNG
(2-Amino-4-[1-(carboxymethyl-carbamoyl)-2-(carboxy-...)
Show SMILES NC(CCC(=O)NC(CSC(C(O)=O)c1ccccc1)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C18H23N3O8S/c19-11(17(26)27)6-7-13(22)21-12(16(25)20-8-14(23)24)9-30-15(18(28)29)10-4-2-1-3-5-10/h1-5,11-12,15H,6-9,19H2,(H,20,25)(H,21,22)(H,23,24)(H,26,27)(H,28,29)
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660n/an/an/an/an/an/an/an/a



Università della Magna Graecia

Curated by ChEMBL


Assay Description
Inhibition constant against glutathione S-transferase pi using GSH (0.1-3mM), 1 mM 1-chloro-2,4-dinitrobenzene


J Med Chem 48: 6084-9 (2005)


Article DOI: 10.1021/jm0504609
BindingDB Entry DOI: 10.7270/Q22R3R6R
More data for this
Ligand-Target Pair
Glutathione S-transferase P


(Homo sapiens (Human))
BDBM50043764
PNG
(2-Amino-4-{1-[(carboxy-phenyl-methyl)-carbamoyl]-2...)
Show SMILES CCCCCCSCC(NC(=O)CCC(N)C(O)=O)C(=O)NC(C(O)=O)c1ccccc1
Show InChI InChI=1S/C22H33N3O6S/c1-2-3-4-8-13-32-14-17(24-18(26)12-11-16(23)21(28)29)20(27)25-19(22(30)31)15-9-6-5-7-10-15/h5-7,9-10,16-17,19H,2-4,8,11-14,23H2,1H3,(H,24,26)(H,25,27)(H,28,29)(H,30,31)
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850n/an/an/an/an/an/an/an/a



Terrapin Technologies

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was measured on recombinant human Glutathione S-transferase P


J Med Chem 37: 189-94 (1994)


BindingDB Entry DOI: 10.7270/Q21V5D1V
More data for this
Ligand-Target Pair
Glutathione S-transferase P


(Homo sapiens (Human))
BDBM50173728
PNG
(2-Amino-4-[1-(carboxymethyl-carbamoyl)-2-(2-hydrox...)
Show SMILES NC(CCC(=O)NC(CSC(CO)c1ccccc1)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C18H25N3O7S/c19-12(18(27)28)6-7-15(23)21-13(17(26)20-8-16(24)25)10-29-14(9-22)11-4-2-1-3-5-11/h1-5,12-14,22H,6-10,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)
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1.11E+3n/an/an/an/an/an/an/an/a



Università della Magna Graecia

Curated by ChEMBL


Assay Description
Inhibition constant against glutathione S-transferase pi using GSH (0.1-3mM), 1 mM 1-chloro-2,4-dinitrobenzene


J Med Chem 48: 6084-9 (2005)


Article DOI: 10.1021/jm0504609
BindingDB Entry DOI: 10.7270/Q22R3R6R
More data for this
Ligand-Target Pair
Glutathione S-transferase P


(Homo sapiens (Human))
BDBM50038325
PNG
(CHEMBL1234570)
Show SMILES OCCCCCCSc1ccc([N+]([O-])=O)c2nonc12
Show InChI InChI=1S/C12H15N3O4S/c16-7-3-1-2-4-8-20-10-6-5-9(15(17)18)11-12(10)14-19-13-11/h5-6,16H,1-4,7-8H2
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1.85E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Time dependent inhibition of GSTP1-1 (unknown origin) assessed as inhibition constant using reduced GSH and CDNB as substrate by spectrophotometric m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02048
BindingDB Entry DOI: 10.7270/Q27948D3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutathione S-transferase P


(Homo sapiens (Human))
BDBM50148144
PNG
(5-[1-Bromo-meth-(E)-ylidene]-3-((E)-styryl)-dihydr...)
Show SMILES Br\C=C1/CC(C\C=C\c2ccccc2)C(=O)O1
Show InChI InChI=1S/C14H13BrO2/c15-10-13-9-12(14(16)17-13)8-4-7-11-5-2-1-3-6-11/h1-7,10,12H,8-9H2/b7-4+,13-10+
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6.10E+3n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for human Glutathione S-transferase P was determined


J Med Chem 47: 3282-94 (2004)


Article DOI: 10.1021/jm0499615
BindingDB Entry DOI: 10.7270/Q29C6WWW
More data for this
Ligand-Target Pair
Glutathione S-transferase P


(Homo sapiens (Human))
BDBM50043758
PNG
(2-Amino-4-[1-(carboxymethyl-carbamoyl)-2-hexylsulf...)
Show SMILES CCCCCCSCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O
Show InChI InChI=1S/C16H29N3O6S/c1-2-3-4-5-8-26-10-12(15(23)18-9-14(21)22)19-13(20)7-6-11(17)16(24)25/h11-12H,2-10,17H2,1H3,(H,18,23)(H,19,20)(H,21,22)(H,24,25)
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1.00E+4n/an/an/an/an/an/an/an/a



Terrapin Technologies

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was measured on recombinant human Glutathione S-transferase P


J Med Chem 37: 189-94 (1994)


BindingDB Entry DOI: 10.7270/Q21V5D1V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutathione S-transferase P


(Homo sapiens (Human))
BDBM50043763
PNG
(2-Amino-4-[1-(2-carboxy-ethylcarbamoyl)-2-(4-methy...)
Show SMILES Cc1ccc(CSCC(NC(=O)CCC(N)C(O)=O)C(=O)NCCC(O)=O)cc1
Show InChI InChI=1S/C19H27N3O6S/c1-12-2-4-13(5-3-12)10-29-11-15(18(26)21-9-8-17(24)25)22-16(23)7-6-14(20)19(27)28/h2-5,14-15H,6-11,20H2,1H3,(H,21,26)(H,22,23)(H,24,25)(H,27,28)
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4.00E+4n/an/an/an/an/an/an/an/a



Terrapin Technologies

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was measured on recombinant human Glutathione S-transferase P


J Med Chem 37: 189-94 (1994)


BindingDB Entry DOI: 10.7270/Q21V5D1V
More data for this
Ligand-Target Pair
Glutathione S-transferase P


(Homo sapiens (Human))
BDBM50148143
PNG
(5-[1-Bromo-meth-(E)-ylidene]-3-phenyl-dihydro-fura...)
Show SMILES Br\C=C1/CC(C(=O)O1)c1ccccc1
Show InChI InChI=1S/C11H9BrO2/c12-7-9-6-10(11(13)14-9)8-4-2-1-3-5-8/h1-5,7,10H,6H2/b9-7+
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1.24E+5n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for human glutathione S-transferase-pi isozyme was determined


J Med Chem 47: 3282-94 (2004)


Article DOI: 10.1021/jm0499615
BindingDB Entry DOI: 10.7270/Q29C6WWW
More data for this
Ligand-Target Pair
Glutathione S-transferase P


(Homo sapiens (Human))
BDBM50173726
PNG
(2-Amino-4-[1-(carboxymethyl-carbamoyl)-2-(2-hydrox...)
Show SMILES NC(CCC(=O)NC(CSCCO)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C12H21N3O7S/c13-7(12(21)22)1-2-9(17)15-8(6-23-4-3-16)11(20)14-5-10(18)19/h7-8,16H,1-6,13H2,(H,14,20)(H,15,17)(H,18,19)(H,21,22)
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1.87E+5n/an/an/an/an/an/an/an/a



Università della Magna Graecia

Curated by ChEMBL


Assay Description
Inhibition constant against glutathione S-transferase pi using GSH (0.1-3mM), 1 mM 1-chloro-2,4-dinitrobenzene


J Med Chem 48: 6084-9 (2005)


Article DOI: 10.1021/jm0504609
BindingDB Entry DOI: 10.7270/Q22R3R6R
More data for this
Ligand-Target Pair
Glutathione S-transferase P


(Homo sapiens (Human))
BDBM50043761
PNG
(2-Amino-4-[1-(2-carboxy-ethylcarbamoyl)-2-hexylsul...)
Show SMILES CCCCCCSCC(NC(=O)CCC(N)C(O)=O)C(=O)NCCC(O)=O
Show InChI InChI=1S/C17H31N3O6S/c1-2-3-4-5-10-27-11-13(16(24)19-9-8-15(22)23)20-14(21)7-6-12(18)17(25)26/h12-13H,2-11,18H2,1H3,(H,19,24)(H,20,21)(H,22,23)(H,25,26)
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5.50E+5n/an/an/an/an/an/an/an/a



Terrapin Technologies

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was measured on recombinant human Glutathione S-transferase P


J Med Chem 37: 189-94 (1994)


BindingDB Entry DOI: 10.7270/Q21V5D1V
More data for this
Ligand-Target Pair
Glutathione S-transferase P


(Homo sapiens (Human))
BDBM50043759
PNG
(2-Amino-4-[2-benzylsulfanyl-1-(2-carboxy-ethylcarb...)
Show SMILES NC(CCC(=O)NC(CSCc1ccccc1)C(=O)NCCC(O)=O)C(O)=O
Show InChI InChI=1S/C18H25N3O6S/c19-13(18(26)27)6-7-15(22)21-14(17(25)20-9-8-16(23)24)11-28-10-12-4-2-1-3-5-12/h1-5,13-14H,6-11,19H2,(H,20,25)(H,21,22)(H,23,24)(H,26,27)
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7.10E+5n/an/an/an/an/an/an/an/a



Terrapin Technologies

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was measured on recombinant human Glutathione S-transferase P


J Med Chem 37: 189-94 (1994)


BindingDB Entry DOI: 10.7270/Q21V5D1V
More data for this
Ligand-Target Pair