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Compile Data Set for Download or QSAR

Found 75 hits from "Sapienza" University of Rome   
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 Mu 2


(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 3n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(Homo sapiens)
BDBM50038328
PNG
(CHEMBL3360529)
Show SMILES COC(=O)C(CSc1ccc([N+]([O-])=O)c2nonc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/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 5n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(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 5n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(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 6n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(Homo sapiens)
BDBM50038305
PNG
(CHEMBL3352898)
Show SMILES OC(=O)c1ccc(CSc2ccc([N+]([O-])=O)c3nonc23)cc1
Show InChI InChI=1S/C14H9N3O5S/c18-14(19)9-3-1-8(2-4-9)7-23-11-6-5-10(17(20)21)12-13(11)16-22-15-12/h1-6H,7H2,(H,18,19)
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n/an/a 6n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(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 7n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(Homo sapiens)
BDBM50038329
PNG
(CHEMBL3360530)
Show SMILES COC(=O)C(CSc1ccc([N+]([O-])=O)c2nonc12)NC(=O)OCc1ccccc1
Show InChI InChI=1S/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 8n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(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 10n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(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 10n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(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 10n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(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 20n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(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 20n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(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 20n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(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 20n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(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 20n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(Homo sapiens)
BDBM50038301
PNG
(CHEMBL3360524)
Show SMILES COC(=O)CCSc1ccc([N+]([O-])=O)c2nonc12
Show InChI InChI=1S/C10H9N3O5S/c1-17-8(14)4-5-19-7-3-2-6(13(15)16)9-10(7)12-18-11-9/h2-3H,4-5H2,1H3
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n/an/a 30n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(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 30n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(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 30n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(Homo sapiens)
BDBM50038327
PNG
(CHEMBL3360528)
Show SMILES [O-][N+](=O)c1ccc(SCCC(=O)N2CCC(=O)CC2)c2nonc12
Show InChI InChI=1S/C14H14N4O5S/c19-9-3-6-17(7-4-9)12(20)5-8-24-11-2-1-10(18(21)22)13-14(11)16-23-15-13/h1-2H,3-8H2
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n/an/a 30n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(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 40n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(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 40n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(Homo sapiens)
BDBM50038326
PNG
(CHEMBL3360527)
Show SMILES [O-][N+](=O)c1ccc(SCCN2CCC(=O)CC2)c2nonc12
Show InChI InChI=1S/C13H14N4O4S/c18-9-3-5-16(6-4-9)7-8-22-11-2-1-10(17(19)20)12-13(11)15-21-14-12/h1-2H,3-8H2
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n/an/a 40n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(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 50n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(Homo sapiens)
BDBM50038299
PNG
(CHEMBL3360526)
Show SMILES OCCNC(=O)CCSc1ccc([N+]([O-])=O)c2nonc12
Show InChI InChI=1S/C11H12N4O5S/c16-5-4-12-9(17)3-6-21-8-2-1-7(15(18)19)10-11(8)14-20-13-10/h1-2,16H,3-6H2,(H,12,17)
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n/an/a 60n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(Homo sapiens)
BDBM50038300
PNG
(CHEMBL3360525)
Show SMILES CC(=O)NCCSc1ccc([N+]([O-])=O)c2nonc12
Show InChI InChI=1S/C10H10N4O4S/c1-6(15)11-4-5-19-8-3-2-7(14(16)17)9-10(8)13-18-12-9/h2-3H,4-5H2,1H3,(H,11,15)
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n/an/a 70n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(Homo sapiens)
BDBM50038332
PNG
(CHEMBL3360533)
Show SMILES OCC(O)CSc1ccc([N+]([O-])=O)c2nonc12
Show InChI InChI=1S/C9H9N3O5S/c13-3-5(14)4-18-7-2-1-6(12(15)16)8-9(7)11-17-10-8/h1-2,5,13-14H,3-4H2
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n/an/a 70n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(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 80n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione transferase (GST)


(Homo sapiens (Human))
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


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione transferase (GST)


(Homo sapiens (Human))
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


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(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 130n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(Homo sapiens)
BDBM50038317
PNG
(CHEMBL3360509)
Show SMILES CCOC(=O)c1ccc(Sc2ccc([N+]([O-])=O)c3nonc23)cc1
Show InChI InChI=1S/C15H11N3O5S/c1-2-22-15(19)9-3-5-10(6-4-9)24-12-8-7-11(18(20)21)13-14(12)17-23-16-13/h3-8H,2H2,1H3
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n/an/a 140n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(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 190n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(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 200n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione transferase (GST)


(Homo sapiens (Human))
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


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione transferase (GST)


(Homo sapiens (Human))
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


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(Homo sapiens)
BDBM50038318
PNG
(CHEMBL3360508)
Show SMILES OC(=O)c1ccc(Sc2ccc([N+]([O-])=O)c3nonc23)cc1
Show InChI InChI=1S/C13H7N3O5S/c17-13(18)7-1-3-8(4-2-7)22-10-6-5-9(16(19)20)11-12(10)15-21-14-11/h1-6H,(H,17,18)
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n/an/a 230n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione transferase (GST)


(Homo sapiens (Human))
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


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(Homo sapiens)
BDBM50038312
PNG
(CHEMBL3360514)
Show SMILES [O-][N+](=O)c1ccc(Sc2ccc(cc2)C(=O)NOC2CCCCO2)c2nonc12
Show InChI InChI=1S/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 300n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione transferase (GST)


(Homo sapiens (Human))
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


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione transferase (GST)


(Homo sapiens (Human))
BDBM50038329
PNG
(CHEMBL3360530)
Show SMILES COC(=O)C(CSc1ccc([N+]([O-])=O)c2nonc12)NC(=O)OCc1ccccc1
Show InChI InChI=1S/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


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione transferase (GST)


(Homo sapiens (Human))
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


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(Homo sapiens)
BDBM50038310
PNG
(CHEMBL3360516)
Show SMILES OCCNC(=O)c1ccc(Sc2ccc([N+]([O-])=O)c3nonc23)cc1
Show InChI InChI=1S/C15H12N4O5S/c20-8-7-16-15(21)9-1-3-10(4-2-9)25-12-6-5-11(19(22)23)13-14(12)18-24-17-13/h1-6,20H,7-8H2,(H,16,21)
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n/an/a 410n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione transferase (GST)


(Homo sapiens (Human))
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


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione transferase (GST)


(Homo sapiens (Human))
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


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione transferase (GST)


(Homo sapiens (Human))
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


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione transferase (GST)


(Homo sapiens (Human))
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


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione transferase (GST)


(Homo sapiens (Human))
BDBM50038328
PNG
(CHEMBL3360529)
Show SMILES COC(=O)C(CSc1ccc([N+]([O-])=O)c2nonc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/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


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione transferase (GST)


(Homo sapiens (Human))
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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PubMed
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


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione transferase (GST)


(Homo sapiens (Human))
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


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione transferase (GST)


(Homo sapiens (Human))
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)
PDB

UniProtKB/SwissProt
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UniChem

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PubMed
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


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
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