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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Glutathione transferase omega 1' 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 transferase omega 1


(Homo sapiens)
BDBM75773
PNG
(N-[3-(N-(2-chloro-1-oxoethyl)-4-nitroanilino)propy...)
Show SMILES [O-][N+](=O)c1ccc(cc1)N(CCCN(CC#C)C(=O)C(F)(F)F)C(=O)CCl
Show InChI InChI=1S/C16H15ClF3N3O4/c1-2-8-21(15(25)16(18,19)20)9-3-10-22(14(24)11-17)12-4-6-13(7-5-12)23(26)27/h1,4-7H,3,8-11H2
PDB
MMDB

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Article
PCBioAssay
n/an/a 23n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Glutathione transferase omega 1


(Homo sapiens)
BDBM63200
PNG
(2-(3-chloro-N-(2-chloro-1-oxoethyl)anilino)-N-cycl...)
Show SMILES COc1ccc(cc1)C(N(C(=O)CCl)c1cccc(Cl)c1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C23H26Cl2N2O3/c1-30-20-12-10-16(11-13-20)22(23(29)26-18-7-3-2-4-8-18)27(21(28)15-24)19-9-5-6-17(25)14-19/h5-6,9-14,18,22H,2-4,7-8,15H2,1H3,(H,26,29)
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PCBioAssay
n/an/a 32n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Glutathione transferase omega 1


(Homo sapiens)
BDBM50155925
PNG
(CHEMBL3781794)
Show SMILES Fc1ccc(cc1S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12)C1CO1
Show InChI InChI=1/C21H21FN2O4S/c22-17-8-7-14(18-11-28-18)10-19(17)29(26,27)24-21(25)23-20-15-5-1-3-12(15)9-13-4-2-6-16(13)20/h7-10,18H,1-6,11H2,(H2,23,24,25)
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PubMed
n/an/a 250n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Irreversible inhibition of GSTO 1-1 in LPS activated human monocytes after 30 mins by ELISA analysis in presence of ATP


J Med Chem 59: 1691-710 (2016)

More data for this
Ligand-Target Pair
Glutathione transferase omega 1


(Homo sapiens)
BDBM50155924
PNG
(CHEMBL3780419)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)c1cc(ccc1F)C1CO1
Show InChI InChI=1/C21H25FN2O4S/c1-12(2)15-6-5-7-16(13(3)4)20(15)23-21(25)24-29(26,27)19-10-14(18-11-28-18)8-9-17(19)22/h5-10,12-13,18H,11H2,1-4H3,(H2,23,24,25)
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PubMed
n/an/a 350n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Irreversible inhibition of GSTO 1-1 in LPS activated human monocytes after 30 mins by ELISA analysis in presence of ATP


J Med Chem 59: 1691-710 (2016)

More data for this
Ligand-Target Pair