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Compile Data Set for Download or QSAR

Found 134 hits Enz. Inhib. hit(s) with Target = 'Glutathione S-transferase Pi' 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
Glutathione S-transferase Pi


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Glutathione S-transferase Pi


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutathione S-transferase Pi


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Glutathione S-transferase Pi


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Glutathione S-transferase Pi


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Glutathione S-transferase Pi


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glutathione S-transferase Pi


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Glutathione S-transferase Pi


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutathione S-transferase Pi


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Glutathione S-transferase Pi


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Glutathione S-transferase Pi


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glutathione S-transferase Pi


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Glutathione S-transferase Pi


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Glutathione S-transferase Pi


(Homo sapiens)
BDBM50186227
PNG
(3-((8-(2-(2,3-dichloro-4-(1-hydroxy-2-methylenebut...)
Show SMILES CCC(=C)C(O)c1ccc(OCC(=O)NCCCCCCCC(=O)NCc2cc(CNC(=O)CCCCCCCCNC(=O)COc3ccc(C(=O)C(=C)CC)c(Cl)c3Cl)cc(c2)C(N)=O)c(Cl)c1Cl
Show InChI InChI=1S/C52H67Cl4N5O9/c1-5-33(3)50(66)38-20-22-40(48(55)46(38)53)69-31-44(64)58-24-16-12-8-7-10-14-18-42(62)60-29-35-26-36(28-37(27-35)52(57)68)30-61-43(63)19-15-11-9-13-17-25-59-45(65)32-70-41-23-21-39(47(54)49(41)56)51(67)34(4)6-2/h20-23,26-28,51,67H,3-19,24-25,29-32H2,1-2H3,(H2,57,68)(H,58,64)(H,59,65)(H,60,62)(H,61,63)
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n/an/a 31n/an/an/an/an/an/a



Syntrix Biosytems

Curated by ChEMBL


Assay Description
Inhibition of GST P1-1


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glutathione S-transferase Pi


(Homo sapiens)
BDBM50186223
PNG
(3-((7-(2-(2,3-dichloro-4-(2-methylenebutanoyl)phen...)
Show SMILES CCC(=C)C(=O)c1ccc(OCC(=O)NCCCCCC(=O)NCc2cc(CNC(=O)CCCCCNC(=O)COc3ccc(C(=O)C(C)=C)c(Cl)c3Cl)cc(c2)C(N)=O)c(Cl)c1Cl
Show InChI InChI=1S/C46H53Cl4N5O9/c1-5-28(4)45(61)33-15-17-35(43(50)41(33)48)64-26-39(59)53-19-11-7-9-13-37(57)55-24-30-20-29(21-31(22-30)46(51)62)23-54-36(56)12-8-6-10-18-52-38(58)25-63-34-16-14-32(40(47)42(34)49)44(60)27(2)3/h14-17,20-22H,2,4-13,18-19,23-26H2,1,3H3,(H2,51,62)(H,52,58)(H,53,59)(H,54,56)(H,55,57)
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n/an/a 46.1n/an/an/an/an/an/a



Syntrix Biosytems

Curated by ChEMBL


Assay Description
Inhibition of GST P1-1


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glutathione S-transferase Pi


(Homo sapiens)
BDBM50038306
PNG
(CHEMBL3360520)
Show SMILES [O-][N+](=O)c1ccc(Sc2ccc(CCC(=O)NOCc3ccccc3)cc2)c2nonc12
Show InChI InChI=1S/C22H18N4O5S/c27-20(23-30-14-16-4-2-1-3-5-16)13-8-15-6-9-17(10-7-15)32-19-12-11-18(26(28)29)21-22(19)25-31-24-21/h1-7,9-12H,8,13-14H2,(H,23,27)
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n/an/a 100n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTP1-1 (unknown origin) using GSH substrate by spectrophotometric method


Citation and Details
More data for this
Ligand-Target Pair
Glutathione S-transferase Pi


(Homo sapiens)
BDBM50038302
PNG
(CHEMBL3360523)
Show SMILES CONC(=O)c1ccc(CCSc2ccc([N+]([O-])=O)c3nonc23)cc1
Show InChI InChI=1S/C16H14N4O5S/c1-24-19-16(21)11-4-2-10(3-5-11)8-9-26-13-7-6-12(20(22)23)14-15(13)18-25-17-14/h2-7H,8-9H2,1H3,(H,19,21)
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n/an/a 100n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTP1-1 (unknown origin) using GSH substrate by spectrophotometric method


Citation and Details
More data for this
Ligand-Target Pair
Glutathione S-transferase Pi


(Homo sapiens)
BDBM50186224
PNG
(3-({4-[4-(4-{2-[4-(but-1-en-2-yl)-2,3-dichlorophen...)
Show SMILES CCC(=C)C(=O)c1ccc(OCC(=O)NCCCC(=O)NCCCC(=O)NCCCC(=O)NCc2cc(CNC(=O)CCCNC(=O)CCCNC(=O)CCCNC(=O)COc3ccc(C(=C)CC)c(Cl)c3Cl)cc(c2)C(N)=O)c(Cl)c1Cl
Show InChI InChI=1S/C58H75Cl4N9O12/c1-5-36(3)41-19-21-43(55(61)53(41)59)82-34-51(78)68-27-9-15-47(74)64-23-7-13-45(72)66-25-11-17-49(76)70-32-38-29-39(31-40(30-38)58(63)81)33-71-50(77)18-12-26-67-46(73)14-8-24-65-48(75)16-10-28-69-52(79)35-83-44-22-20-42(54(60)56(44)62)57(80)37(4)6-2/h19-22,29-31H,3-18,23-28,32-35H2,1-2H3,(H2,63,81)(H,64,74)(H,65,75)(H,66,72)(H,67,73)(H,68,78)(H,69,79)(H,70,76)(H,71,77)
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n/an/a 142n/an/an/an/an/an/a



Syntrix Biosytems

Curated by ChEMBL


Assay Description
Inhibition of GST P1-1


Citation and Details
More data for this
Ligand-Target Pair
Glutathione S-transferase Pi


(Homo sapiens)
BDBM50038322
PNG
(CHEMBL3360504)
Show SMILES [O-][N+](=O)c1ccc(SCCc2ccccc2)c2nonc12
Show InChI InChI=1S/C14H11N3O3S/c18-17(19)11-6-7-12(14-13(11)15-20-16-14)21-9-8-10-4-2-1-3-5-10/h1-7H,8-9H2
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n/an/a 200n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTP1-1 (unknown origin) using GSH substrate by spectrophotometric method


Citation and Details
More data for this
Ligand-Target Pair
Glutathione S-transferase Pi


(Homo sapiens)
BDBM50038303
PNG
(CHEMBL3360522)
Show SMILES [O-][N+](=O)c1ccc(SCc2ccc(cc2)C(=O)NOCc2ccccc2)c2nonc12
Show InChI InChI=1S/C21H16N4O5S/c26-21(24-29-12-14-4-2-1-3-5-14)16-8-6-15(7-9-16)13-31-18-11-10-17(25(27)28)19-20(18)23-30-22-19/h1-11H,12-13H2,(H,24,26)
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n/an/a 200n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTP1-1 (unknown origin) using GSH substrate by spectrophotometric method


Citation and Details
More data for this
Ligand-Target Pair
Glutathione S-transferase Pi


(Homo sapiens)
BDBM50038331
PNG
(CHEMBL3360532)
Show SMILES CC(C)(C)Sc1ccc([N+]([O-])=O)c2nonc12
Show InChI InChI=1S/C10H11N3O3S/c1-10(2,3)17-7-5-4-6(13(14)15)8-9(7)12-16-11-8/h4-5H,1-3H3
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n/an/a 300n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTP1-1 (unknown origin) using GSH substrate by spectrophotometric method


Citation and Details
More data for this
Ligand-Target Pair
Glutathione S-transferase Pi


(Homo sapiens)
BDBM50038330
PNG
(CHEMBL3360531)
Show SMILES [O-][N+](=O)c1ccc(SCC2CCCCC2)c2nonc12
Show InChI InChI=1S/C13H15N3O3S/c17-16(18)10-6-7-11(13-12(10)14-19-15-13)20-8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2
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n/an/a 300n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTP1-1 (unknown origin) using GSH substrate by spectrophotometric method


Citation and Details
More data for this
Ligand-Target Pair
Glutathione S-transferase Pi


(Homo sapiens)
BDBM50038329
PNG
(CHEMBL3360530)
Show SMILES COC(=O)C(CSc1ccc([N+]([O-])=O)c2nonc12)NC(=O)OCc1ccccc1
Show InChI InChI=1/C18H16N4O7S/c1-27-17(23)12(19-18(24)28-9-11-5-3-2-4-6-11)10-30-14-8-7-13(22(25)26)15-16(14)21-29-20-15/h2-8,12H,9-10H2,1H3,(H,19,24)
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n/an/a 400n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTP1-1 (unknown origin) using GSH substrate by spectrophotometric method


Citation and Details
More data for this
Ligand-Target Pair
Glutathione S-transferase Pi


(Homo sapiens)
BDBM50038308
PNG
(CHEMBL3360518)
Show SMILES OC(=O)Cc1ccc(Sc2ccc([N+]([O-])=O)c3nonc23)cc1
Show InChI InChI=1S/C14H9N3O5S/c18-12(19)7-8-1-3-9(4-2-8)23-11-6-5-10(17(20)21)13-14(11)16-22-15-13/h1-6H,7H2,(H,18,19)
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n/an/a 400n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTP1-1 (unknown origin) using GSH substrate by spectrophotometric method


Citation and Details
More data for this
Ligand-Target Pair
Glutathione S-transferase Pi


(Homo sapiens)
BDBM50038321
PNG
(CHEMBL3360505)
Show SMILES [O-][N+](=O)c1ccc(SCCCc2ccccc2)c2nonc12
Show InChI InChI=1S/C15H13N3O3S/c19-18(20)12-8-9-13(15-14(12)16-21-17-15)22-10-4-7-11-5-2-1-3-6-11/h1-3,5-6,8-9H,4,7,10H2
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n/an/a 500n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTP1-1 (unknown origin) using GSH substrate by spectrophotometric method


Citation and Details
More data for this
Ligand-Target Pair
Glutathione S-transferase Pi


(Homo sapiens)
BDBM50038313
PNG
(CHEMBL3360513)
Show SMILES CONC(=O)c1ccc(Sc2ccc([N+]([O-])=O)c3nonc23)cc1
Show InChI InChI=1S/C14H10N4O5S/c1-22-17-14(19)8-2-4-9(5-3-8)24-11-7-6-10(18(20)21)12-13(11)16-23-15-12/h2-7H,1H3,(H,17,19)
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n/an/a 500n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTP1-1 (unknown origin) using GSH substrate by spectrophotometric method


Citation and Details
More data for this
Ligand-Target Pair
Glutathione S-transferase Pi


(Homo sapiens)
BDBM50038334
PNG
(CHEMBL3360535)
Show SMILES OCCCCCCCCSc1ccc([N+]([O-])=O)c2nonc12
Show InChI InChI=1S/C14H19N3O4S/c18-9-5-3-1-2-4-6-10-22-12-8-7-11(17(19)20)13-14(12)16-21-15-13/h7-8,18H,1-6,9-10H2
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n/an/a 500n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTP1-1 (unknown origin) using GSH substrate by spectrophotometric method


Citation and Details
More data for this
Ligand-Target Pair
Glutathione S-transferase Pi


(Homo sapiens)
BDBM50300258
PNG
(5-[3-Chloro-4-(2-methylene-1-oxopropyl)phenoxymeth...)
Show SMILES CC(=C)C(=O)c1ccc(OCc2nc(no2)-c2ccccc2)cc1Cl
Show InChI InChI=1S/C19H15ClN2O3/c1-12(2)18(23)15-9-8-14(10-16(15)20)24-11-17-21-19(22-25-17)13-6-4-3-5-7-13/h3-10H,1,11H2,2H3
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n/an/a 600n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of GST P1-1 in human HL60 cell lysate


Citation and Details
More data for this
Ligand-Target Pair
Glutathione S-transferase Pi


(Homo sapiens)
BDBM50038324
PNG
(CHEMBL2430537)
Show SMILES [O-][N+](=O)c1ccc(Sc2ccccc2)c2nonc12
Show InChI InChI=1S/C12H7N3O3S/c16-15(17)9-6-7-10(12-11(9)13-18-14-12)19-8-4-2-1-3-5-8/h1-7H
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n/an/a 600n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTP1-1 (unknown origin) using GSH substrate by spectrophotometric method


Citation and Details
More data for this
Ligand-Target Pair
Glutathione S-transferase Pi


(Homo sapiens)
BDBM50038314
PNG
(CHEMBL3360512)
Show SMILES CN(C)C(=O)c1ccc(Sc2ccc([N+]([O-])=O)c3nonc23)cc1
Show InChI InChI=1S/C15H12N4O4S/c1-18(2)15(20)9-3-5-10(6-4-9)24-12-8-7-11(19(21)22)13-14(12)17-23-16-13/h3-8H,1-2H3
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n/an/a 600n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTP1-1 (unknown origin) using GSH substrate by spectrophotometric method


Citation and Details
More data for this
Ligand-Target Pair
Glutathione S-transferase Pi


(Homo sapiens)
BDBM50038328
PNG
(CHEMBL3360529)
Show SMILES COC(=O)C(CSc1ccc([N+]([O-])=O)c2nonc12)NC(=O)OC(C)(C)C
Show InChI InChI=1/C15H18N4O7S/c1-15(2,3)25-14(21)16-8(13(20)24-4)7-27-10-6-5-9(19(22)23)11-12(10)18-26-17-11/h5-6,8H,7H2,1-4H3,(H,16,21)
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n/an/a 600n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTP1-1 (unknown origin) using GSH substrate by spectrophotometric method


Citation and Details
More data for this
Ligand-Target Pair
Glutathione S-transferase Pi


(Homo sapiens)
BDBM50186230
PNG
(3-((4-(2-(2,3-dichloro-4-(2-methylenebutanoyl)phen...)
Show SMILES CCC(=C)C(=O)c1ccc(OCC(=O)NCCCC(=O)NCc2cc(CNC(=O)CCCNC(=O)COc3ccc(C(=O)C(C)=C)c(Cl)c3Cl)cc(c2)C(N)=O)c(Cl)c1Cl
Show InChI InChI=1S/C42H45Cl4N5O9/c1-5-24(4)41(57)29-11-13-31(39(46)37(29)44)60-22-35(55)49-15-7-9-33(53)51-20-26-16-25(17-27(18-26)42(47)58)19-50-32(52)8-6-14-48-34(54)21-59-30-12-10-28(36(43)38(30)45)40(56)23(2)3/h10-13,16-18H,2,4-9,14-15,19-22H2,1,3H3,(H2,47,58)(H,48,54)(H,49,55)(H,50,52)(H,51,53)
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n/an/a 624n/an/an/an/an/an/a



Syntrix Biosytems

Curated by ChEMBL


Assay Description
Inhibition of GST P1-1


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glutathione S-transferase Pi


(Homo sapiens)
BDBM50038307
PNG
(CHEMBL3360519)
Show SMILES OC(=O)CCc1ccc(Sc2ccc([N+]([O-])=O)c3nonc23)cc1
Show InChI InChI=1S/C15H11N3O5S/c19-13(20)8-3-9-1-4-10(5-2-9)24-12-7-6-11(18(21)22)14-15(12)17-23-16-14/h1-2,4-7H,3,8H2,(H,19,20)
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n/an/a 700n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTP1-1 (unknown origin) using GSH substrate by spectrophotometric method


Citation and Details
More data for this
Ligand-Target Pair
Glutathione S-transferase Pi


(Homo sapiens)
BDBM50300260
PNG
(5-[3-Chloro-4-(2-methylene-1-oxopropyl)phenoxymeth...)
Show SMILES CC(=C)C(=O)c1ccc(OCc2nc(no2)-c2ccc(cc2)C(F)(F)F)cc1Cl
Show InChI InChI=1S/C20H14ClF3N2O3/c1-11(2)18(27)15-8-7-14(9-16(15)21)28-10-17-25-19(26-29-17)12-3-5-13(6-4-12)20(22,23)24/h3-9H,1,10H2,2H3
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n/an/a 700n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of GST P1-1 in human HL60 cell lysate


Citation and Details
More data for this
Ligand-Target Pair
Glutathione S-transferase Pi


(Homo sapiens)
BDBM50038304
PNG
(CHEMBL3360521)
Show SMILES CCOC(=O)c1ccc(CSc2ccc([N+]([O-])=O)c3nonc23)cc1
Show InChI InChI=1S/C16H13N3O5S/c1-2-23-16(20)11-5-3-10(4-6-11)9-25-13-8-7-12(19(21)22)14-15(13)18-24-17-14/h3-8H,2,9H2,1H3
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n/an/a 700n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTP1-1 (unknown origin) using GSH substrate by spectrophotometric method


Citation and Details
More data for this
Ligand-Target Pair
Glutathione S-transferase Pi


(Homo sapiens)
BDBM50300259
PNG
(5-[3-Chloro-4-(2-methylene-1-oxopropyl)phenoxymeth...)
Show SMILES CC(=C)C(=O)c1ccc(OCc2nc(no2)-c2ccc(F)cc2)cc1Cl
Show InChI InChI=1S/C19H14ClFN2O3/c1-11(2)18(24)15-8-7-14(9-16(15)20)25-10-17-22-19(23-26-17)12-3-5-13(21)6-4-12/h3-9H,1,10H2,2H3
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n/an/a 700n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of GST P1-1 in human HL60 cell lysate


Citation and Details
More data for this
Ligand-Target Pair
Glutathione S-transferase Pi


(Homo sapiens)
BDBM50186229
PNG
(3,5-bis((2-(2-(2,3-dichloro-4-(2-methylenebutanoyl...)
Show SMILES CCC(=C)C(=O)c1ccc(OCC(=O)NCC(=O)NCc2cc(CNC(=O)CNC(=O)COc3ccc(C(=O)C(=C)CC)c(Cl)c3Cl)cc(c2)C(N)=O)c(Cl)c1Cl
Show InChI InChI=1S/C39H39Cl4N5O9/c1-5-20(3)37(53)25-7-9-27(35(42)33(25)40)56-18-31(51)47-16-29(49)45-14-22-11-23(13-24(12-22)39(44)55)15-46-30(50)17-48-32(52)19-57-28-10-8-26(34(41)36(28)43)38(54)21(4)6-2/h7-13H,3-6,14-19H2,1-2H3,(H2,44,55)(H,45,49)(H,46,50)(H,47,51)(H,48,52)
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n/an/a 704n/an/an/an/an/an/a



Syntrix Biosytems

Curated by ChEMBL


Assay Description
Inhibition of GST P1-1


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glutathione S-transferase Pi


(Homo sapiens)
BDBM50038316
PNG
(CHEMBL3360510)
Show SMILES NC(=O)c1ccc(Sc2ccc([N+]([O-])=O)c3nonc23)cc1
Show InChI InChI=1S/C13H8N4O4S/c14-13(18)7-1-3-8(4-2-7)22-10-6-5-9(17(19)20)11-12(10)16-21-15-11/h1-6H,(H2,14,18)
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n/an/a 800n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTP1-1 (unknown origin) using GSH substrate by spectrophotometric method


Citation and Details
More data for this
Ligand-Target Pair
Glutathione S-transferase Pi


(Homo sapiens)
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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n/an/a 800n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTP1-1 (unknown origin) using GSH substrate by spectrophotometric method


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutathione S-transferase Pi


(Homo sapiens)
BDBM50186228
PNG
(3,5-bis((2-(2,3-dichloro-4-(2-methylenebutanoyl)ph...)
Show SMILES CCC(=C)C(=O)c1ccc(OCC(=O)NCc2cc(CNC(=O)COc3ccc(C(=O)C(=C)CC)c(Cl)c3Cl)cc(c2)C(N)=O)c(Cl)c1Cl
Show InChI InChI=1S/C35H33Cl4N3O7/c1-5-18(3)33(45)23-7-9-25(31(38)29(23)36)48-16-27(43)41-14-20-11-21(13-22(12-20)35(40)47)15-42-28(44)17-49-26-10-8-24(30(37)32(26)39)34(46)19(4)6-2/h7-13H,3-6,14-17H2,1-2H3,(H2,40,47)(H,41,43)(H,42,44)
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n/an/a 992n/an/an/an/an/an/a



Syntrix Biosytems

Curated by ChEMBL


Assay Description
Inhibition of GST P1-1


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glutathione S-transferase Pi


(Homo sapiens)
BDBM50038309
PNG
(CHEMBL3360517)
Show SMILES CN(C)CCNC(=O)c1ccc(Sc2ccc([N+]([O-])=O)c3nonc23)cc1
Show InChI InChI=1S/C17H17N5O4S/c1-21(2)10-9-18-17(23)11-3-5-12(6-4-11)27-14-8-7-13(22(24)25)15-16(14)20-26-19-15/h3-8H,9-10H2,1-2H3,(H,18,23)
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n/an/a 1.00E+3n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTP1-1 (unknown origin) using GSH substrate by spectrophotometric method


Citation and Details
More data for this
Ligand-Target Pair
Glutathione S-transferase Pi


(Homo sapiens)
BDBM50038323
PNG
(CHEMBL2430532)
Show SMILES [O-][N+](=O)c1ccc(SCc2ccccc2)c2nonc12
Show InChI InChI=1S/C13H9N3O3S/c17-16(18)10-6-7-11(13-12(10)14-19-15-13)20-8-9-4-2-1-3-5-9/h1-7H,8H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTP1-1 (unknown origin) using GSH substrate by spectrophotometric method


Citation and Details
More data for this
Ligand-Target Pair
Glutathione S-transferase Pi


(Homo sapiens)
BDBM50038311
PNG
(CHEMBL3360515)
Show SMILES [O-][N+](=O)c1ccc(Sc2ccc(cc2)C(=O)NOCc2ccccc2)c2nonc12
Show InChI InChI=1S/C20H14N4O5S/c25-20(23-28-12-13-4-2-1-3-5-13)14-6-8-15(9-7-14)30-17-11-10-16(24(26)27)18-19(17)22-29-21-18/h1-11H,12H2,(H,23,25)
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n/an/a 1.00E+3n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTP1-1 (unknown origin) using GSH substrate by spectrophotometric method


Citation and Details
More data for this
Ligand-Target Pair
Glutathione S-transferase Pi


(Homo sapiens)
BDBM50186225
PNG
(3-((3-(2-(2,3-dichloro-4-(2-methylenebutanoyl)phen...)
Show SMILES CCC(=C)C(=O)c1ccc(OCC(=O)NCCC(=O)NCc2cc(CNC(=O)CCNC(=O)COc3ccc(C(=O)C(C)=C)c(Cl)c3Cl)cc(c2)C(N)=O)c(Cl)c1Cl
Show InChI InChI=1S/C40H41Cl4N5O9/c1-5-22(4)39(55)27-7-9-29(37(44)35(27)42)58-20-33(53)47-13-11-31(51)49-18-24-14-23(15-25(16-24)40(45)56)17-48-30(50)10-12-46-32(52)19-57-28-8-6-26(34(41)36(28)43)38(54)21(2)3/h6-9,14-16H,2,4-5,10-13,17-20H2,1,3H3,(H2,45,56)(H,46,52)(H,47,53)(H,48,50)(H,49,51)
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n/an/a 1.02E+3n/an/an/an/an/an/a



Syntrix Biosytems

Curated by ChEMBL


Assay Description
Inhibition of GST P1-1


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glutathione S-transferase Pi


(Homo sapiens)
BDBM50038312
PNG
(CHEMBL3360514)
Show SMILES [O-][N+](=O)c1ccc(Sc2ccc(cc2)C(=O)NOC2CCCCO2)c2nonc12
Show InChI InChI=1/C18H16N4O6S/c23-18(21-27-15-3-1-2-10-26-15)11-4-6-12(7-5-11)29-14-9-8-13(22(24)25)16-17(14)20-28-19-16/h4-9,15H,1-3,10H2,(H,21,23)
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n/an/a 1.20E+3n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTP1-1 (unknown origin) using GSH substrate by spectrophotometric method


Citation and Details
More data for this
Ligand-Target Pair
Glutathione S-transferase Pi


(Homo sapiens)
BDBM50038315
PNG
(CHEMBL3360511)
Show SMILES ONC(=O)c1ccc(Sc2ccc([N+]([O-])=O)c3nonc23)cc1
Show InChI InChI=1S/C13H8N4O5S/c18-13(14-19)7-1-3-8(4-2-7)23-10-6-5-9(17(20)21)11-12(10)16-22-15-11/h1-6,19H,(H,14,18)
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n/an/a 1.20E+3n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTP1-1 (unknown origin) using GSH substrate by spectrophotometric method


Citation and Details
More data for this
Ligand-Target Pair
Glutathione S-transferase Pi


(Homo sapiens)
BDBM50300247
PNG
(5-[3-Bromo-4-(2-methylene-1-oxopropyl)phenoxymethy...)
Show SMILES CC(=C)C(=O)c1ccc(OCc2nc(no2)-c2ccc(cc2)C(F)(F)F)cc1Br
Show InChI InChI=1S/C20H14BrF3N2O3/c1-11(2)18(27)15-8-7-14(9-16(15)21)28-10-17-25-19(26-29-17)12-3-5-13(6-4-12)20(22,23)24/h3-9H,1,10H2,2H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of GST P1-1 in human HL60 cell lysate


Citation and Details
More data for this
Ligand-Target Pair
Glutathione S-transferase Pi


(Homo sapiens)
BDBM50038319
PNG
(CHEMBL3360507)
Show SMILES OC(=O)c1cccc(Sc2ccc([N+]([O-])=O)c3nonc23)c1
Show InChI InChI=1S/C13H7N3O5S/c17-13(18)7-2-1-3-8(6-7)22-10-5-4-9(16(19)20)11-12(10)15-21-14-11/h1-6H,(H,17,18)
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n/an/a 1.40E+3n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTP1-1 (unknown origin) using GSH substrate by spectrophotometric method


Citation and Details
More data for this
Ligand-Target Pair
Glutathione S-transferase Pi


(Homo sapiens)
BDBM50038333
PNG
(CHEMBL3360534)
Show SMILES OCCCCSc1ccc([N+]([O-])=O)c2nonc12
Show InChI InChI=1S/C10H11N3O4S/c14-5-1-2-6-18-8-4-3-7(13(15)16)9-10(8)12-17-11-9/h3-4,14H,1-2,5-6H2
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n/an/a 1.40E+3n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTP1-1 (unknown origin) using GSH substrate by spectrophotometric method


Citation and Details
More data for this
Ligand-Target Pair
Glutathione S-transferase Pi


(Homo sapiens)
BDBM50300246
PNG
(5-[3-Bromo-4-(2-methylene-1-oxopropyl)phenoxymethy...)
Show SMILES CC(=C)C(=O)c1ccc(OCc2nc(no2)-c2ccc(F)cc2)cc1Br
Show InChI InChI=1S/C19H14BrFN2O3/c1-11(2)18(24)15-8-7-14(9-16(15)20)25-10-17-22-19(23-26-17)12-3-5-13(21)6-4-12/h3-9H,1,10H2,2H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of GST P1-1 in human HL60 cell lysate


Citation and Details
More data for this
Ligand-Target Pair
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