Compile Data Set for Download or QSAR

Found 102 hits of ic50 for UniProtKB: P78417   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50526135 (CHEMBL4593975) Show SMILES Cc1cc(CN(C(=O)C=C)c2nc(cs2)-c2ccccc2O)on1 Show InChI InChI=1S/C17H15N3O3S/c1-3-16(22)20(9-12-8-11(2)19-23-12)17-18-14(10-24-17)13-6-4-5-7-15(13)21/h3-8,10,21H,1,9H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of CMFDA binding to human N-terminal 6x-His-tagged GSTO1-1 preincubated for 30 mins followed by CMFDA addition and measured after 30 mins ...				J Med Chem 62: 3068-3087 (2019) Article DOI: 10.1021/acs.jmedchem.8b01960 BindingDB Entry DOI: 10.7270/Q2TQ64ZS
					More data for this Ligand-Target Pair
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50526136 (CHEMBL4513682) Show SMILES Cc1cc(CN(C(=O)C=C)c2nc(cs2)-c2ccc(Cl)cc2O)on1 Show InChI InChI=1S/C17H14ClN3O3S/c1-3-16(23)21(8-12-6-10(2)20-24-12)17-19-14(9-25-17)13-5-4-11(18)7-15(13)22/h3-7,9,22H,1,8H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of CMFDA binding to human N-terminal 6x-His-tagged GSTO1-1 preincubated for 30 mins followed by CMFDA addition and measured after 30 mins ...				J Med Chem 62: 3068-3087 (2019) Article DOI: 10.1021/acs.jmedchem.8b01960 BindingDB Entry DOI: 10.7270/Q2TQ64ZS
					More data for this Ligand-Target Pair
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50526140 (CHEMBL4463748) Show SMILES Cc1cc(CN(C(=O)CCl)c2nc(cs2)-c2ccccc2O)on1 Show InChI InChI=1S/C16H14ClN3O3S/c1-10-6-11(23-19-10)8-20(15(22)7-17)16-18-13(9-24-16)12-4-2-3-5-14(12)21/h2-6,9,21H,7-8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of CMFDA binding to human N-terminal 6x-His-tagged GSTO1-1 preincubated for 30 mins followed by CMFDA addition and measured after 30 mins ...				J Med Chem 62: 3068-3087 (2019) Article DOI: 10.1021/acs.jmedchem.8b01960 BindingDB Entry DOI: 10.7270/Q2TQ64ZS
					More data for this Ligand-Target Pair
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50458516 (CHEMBL4210652) Show SMILES CN(C)S(=O)(=O)c1cc(NC(=O)CCl)ccc1Cl Show InChI InChI=1S/C10H12Cl2N2O3S/c1-14(2)18(16,17)9-5-7(3-4-8(9)12)13-10(15)6-11/h3-5H,6H2,1-2H3,(H,13,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of CMFDA binding to human N-terminal 6x-His-tagged GSTO1-1 preincubated for 30 mins followed by CMFDA addition and measured after 30 mins ...				J Med Chem 62: 3068-3087 (2019) Article DOI: 10.1021/acs.jmedchem.8b01960 BindingDB Entry DOI: 10.7270/Q2TQ64ZS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50458512 (CHEMBL4215608) Show SMILES Fc1cccc(c1)N(C(C(=O)NC1CCCCC1)c1ccccn1)C(=O)CCl Show InChI InChI=1S/C21H23ClFN3O2/c22-14-19(27)26(17-10-6-7-15(23)13-17)20(18-11-4-5-12-24-18)21(28)25-16-8-2-1-3-9-16/h4-7,10-13,16,20H,1-3,8-9,14H2,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of human recombinant GSTO1-1 incubated for 30 mins by fluorescence polarization based gel-based competitive ABPP assay				J Med Chem 61: 7448-7470 (2018) Article DOI: 10.1021/acs.jmedchem.8b00318 BindingDB Entry DOI: 10.7270/Q23T9KVG
					More data for this Ligand-Target Pair
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50458512 (CHEMBL4215608) Show SMILES Fc1cccc(c1)N(C(C(=O)NC1CCCCC1)c1ccccn1)C(=O)CCl Show InChI InChI=1S/C21H23ClFN3O2/c22-14-19(27)26(17-10-6-7-15(23)13-17)20(18-11-4-5-12-24-18)21(28)25-16-8-2-1-3-9-16/h4-7,10-13,16,20H,1-3,8-9,14H2,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM75773 (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2N29VDB
					More data for this Ligand-Target Pair
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50526133 (CHEMBL4443686) Show SMILES Cc1cc(CN(C(=O)C=C)c2nc(cs2)-c2ccc(cc2)C(F)(F)F)on1 Show InChI InChI=1S/C18H14F3N3O2S/c1-3-16(25)24(9-14-8-11(2)23-26-14)17-22-15(10-27-17)12-4-6-13(7-5-12)18(19,20)21/h3-8,10H,1,9H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of CMFDA binding to human N-terminal 6x-His-tagged GSTO1-1 preincubated for 30 mins followed by CMFDA addition and measured after 30 mins ...				J Med Chem 62: 3068-3087 (2019) Article DOI: 10.1021/acs.jmedchem.8b01960 BindingDB Entry DOI: 10.7270/Q2TQ64ZS
					More data for this Ligand-Target Pair
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50458515 (CHEMBL1502738) Show SMILES [O-][N+](=O)c1ccc(cc1)N(CCCNC(=O)C(F)(F)F)C(=O)CCl Show InChI InChI=1S/C13H13ClF3N3O4/c14-8-11(21)19(7-1-6-18-12(22)13(15,16)17)9-2-4-10(5-3-9)20(23)24/h2-5H,1,6-8H2,(H,18,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of GSTO1-1 (unknown origin) by enzymatic assay				J Med Chem 61: 7448-7470 (2018) Article DOI: 10.1021/acs.jmedchem.8b00318 BindingDB Entry DOI: 10.7270/Q23T9KVG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50527163 (CHEMBL4445050) Show SMILES COCCNS(=O)(=O)c1cc(NC(=O)CCl)ccc1Cl Show InChI InChI=1S/C11H14Cl2N2O4S/c1-19-5-4-14-20(17,18)10-6-8(2-3-9(10)13)15-11(16)7-12/h2-3,6,14H,4-5,7H2,1H3,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of recombinant GSTO1-1 (unknown origin) expressed in Escherichia coli using S-(4-nitrophenacyl)glutathione as substrate preincubated for 2...				J Med Chem 63: 2894-2914 (2020) Article DOI: 10.1021/acs.jmedchem.9b01391 BindingDB Entry DOI: 10.7270/Q24Q7ZDQ
					More data for this Ligand-Target Pair
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50526114 (CHEMBL4529442) Show SMILES C=CC(=O)N(CC(=O)NC1COC1)c1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C17H17N3O3S/c1-2-16(22)20(8-15(21)18-13-9-23-10-13)17-19-14(11-24-17)12-6-4-3-5-7-12/h2-7,11,13H,1,8-10H2,(H,18,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of CMFDA binding to human N-terminal 6x-His-tagged GSTO1-1 preincubated for 30 mins followed by CMFDA addition and measured after 30 mins ...				J Med Chem 62: 3068-3087 (2019) Article DOI: 10.1021/acs.jmedchem.8b01960 BindingDB Entry DOI: 10.7270/Q2TQ64ZS
					More data for this Ligand-Target Pair
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50458516 (CHEMBL4210652) Show SMILES CN(C)S(=O)(=O)c1cc(NC(=O)CCl)ccc1Cl Show InChI InChI=1S/C10H12Cl2N2O3S/c1-14(2)18(16,17)9-5-7(3-4-8(9)12)13-10(15)6-11/h3-5H,6H2,1-2H3,(H,13,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of GSTO1-1 (unknown origin) by enzymatic assay				J Med Chem 61: 7448-7470 (2018) Article DOI: 10.1021/acs.jmedchem.8b00318 BindingDB Entry DOI: 10.7270/Q23T9KVG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM63200 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2TQ600K
					More data for this Ligand-Target Pair
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50458512 (CHEMBL4215608) Show SMILES Fc1cccc(c1)N(C(C(=O)NC1CCCCC1)c1ccccn1)C(=O)CCl Show InChI InChI=1S/C21H23ClFN3O2/c22-14-19(27)26(17-10-6-7-15(23)13-17)20(18-11-4-5-12-24-18)21(28)25-16-8-2-1-3-9-16/h4-7,10-13,16,20H,1-3,8-9,14H2,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of GSTO1-1 in human MDA-MB-231 cells				J Med Chem 61: 7448-7470 (2018) Article DOI: 10.1021/acs.jmedchem.8b00318 BindingDB Entry DOI: 10.7270/Q23T9KVG
					More data for this Ligand-Target Pair
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50458512 (CHEMBL4215608) Show SMILES Fc1cccc(c1)N(C(C(=O)NC1CCCCC1)c1ccccn1)C(=O)CCl Show InChI InChI=1S/C21H23ClFN3O2/c22-14-19(27)26(17-10-6-7-15(23)13-17)20(18-11-4-5-12-24-18)21(28)25-16-8-2-1-3-9-16/h4-7,10-13,16,20H,1-3,8-9,14H2,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50458522 (CHEMBL4203414) Show SMILES CC(C)CCCC(C)CCOc1ccc2c(ccc3oc(cc(=O)c23)C2(O)C=CC(=O)C=C2)c1 |c:29,33| Show InChI InChI=1S/C29H32O5/c1-19(2)5-4-6-20(3)13-16-33-23-8-9-24-21(17-23)7-10-26-28(24)25(31)18-27(34-26)29(32)14-11-22(30)12-15-29/h7-12,14-15,17-20,32H,4-6,13,16H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of GSTO1-1 (unknown origin) by 4-NPG substrate based assay				J Med Chem 61: 7448-7470 (2018) Article DOI: 10.1021/acs.jmedchem.8b00318 BindingDB Entry DOI: 10.7270/Q23T9KVG
					More data for this Ligand-Target Pair
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50526117 (CHEMBL4568270) Show SMILES Cc1cc(CN(C(=O)C=C)c2nc(cs2)-c2ccc(F)cc2O)on1 Show InChI InChI=1S/C17H14FN3O3S/c1-3-16(23)21(8-12-6-10(2)20-24-12)17-19-14(9-25-17)13-5-4-11(18)7-15(13)22/h3-7,9,22H,1,8H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of CMFDA binding to human N-terminal 6x-His-tagged GSTO1-1 preincubated for 30 mins followed by CMFDA addition and measured after 30 mins ...				J Med Chem 62: 3068-3087 (2019) Article DOI: 10.1021/acs.jmedchem.8b01960 BindingDB Entry DOI: 10.7270/Q2TQ64ZS
					More data for this Ligand-Target Pair
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50526152 (CHEMBL4454963) Show SMILES Cc1cc(CN(C(=O)C=C)c2nc(cs2)-c2ccccc2)on1 Show InChI InChI=1S/C17H15N3O2S/c1-3-16(21)20(10-14-9-12(2)19-22-14)17-18-15(11-23-17)13-7-5-4-6-8-13/h3-9,11H,1,10H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of CMFDA binding to human N-terminal 6x-His-tagged GSTO1-1 preincubated for 30 mins followed by CMFDA addition and measured after 30 mins ...				J Med Chem 62: 3068-3087 (2019) Article DOI: 10.1021/acs.jmedchem.8b01960 BindingDB Entry DOI: 10.7270/Q2TQ64ZS
					More data for this Ligand-Target Pair
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50458520 (CHEMBL1486332) Show SMILES Fc1ccc(cc1)N(C(C(=O)NC1CCCCC1)c1cccnc1)C(=O)CCl Show InChI InChI=1S/C21H23ClFN3O2/c22-13-19(27)26(18-10-8-16(23)9-11-18)20(15-5-4-12-24-14-15)21(28)25-17-6-2-1-3-7-17/h4-5,8-12,14,17,20H,1-3,6-7,13H2,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of GSTO1-1 (unknown origin) by enzymatic assay				J Med Chem 61: 7448-7470 (2018) Article DOI: 10.1021/acs.jmedchem.8b00318 BindingDB Entry DOI: 10.7270/Q23T9KVG
					More data for this Ligand-Target Pair
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50527182 (CHEMBL4458115) Show SMILES CN(C)S(=O)(=O)c1cc(NC(=O)CCl)ccc1C(F)(F)F Show InChI InChI=1S/C11H12ClF3N2O3S/c1-17(2)21(19,20)9-5-7(16-10(18)6-12)3-4-8(9)11(13,14)15/h3-5H,6H2,1-2H3,(H,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of recombinant GSTO1-1 (unknown origin) expressed in Escherichia coli using S-(4-nitrophenacyl)glutathione as substrate preincubated for 2...				J Med Chem 63: 2894-2914 (2020) Article DOI: 10.1021/acs.jmedchem.9b01391 BindingDB Entry DOI: 10.7270/Q24Q7ZDQ
					More data for this Ligand-Target Pair
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50527184 (CHEMBL4454026) Show SMILES CC(C)NS(=O)(=O)c1cc(NC(=O)CCl)ccc1Cl Show InChI InChI=1S/C11H14Cl2N2O3S/c1-7(2)15-19(17,18)10-5-8(3-4-9(10)13)14-11(16)6-12/h3-5,7,15H,6H2,1-2H3,(H,14,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of recombinant GSTO1-1 (unknown origin) expressed in Escherichia coli using S-(4-nitrophenacyl)glutathione as substrate preincubated for 2...				J Med Chem 63: 2894-2914 (2020) Article DOI: 10.1021/acs.jmedchem.9b01391 BindingDB Entry DOI: 10.7270/Q24Q7ZDQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50527162 (CHEMBL4458365) Show SMILES COCCN(C)S(=O)(=O)c1cc(NC(=O)CCl)ccc1Cl Show InChI InChI=1S/C12H16Cl2N2O4S/c1-16(5-6-20-2)21(18,19)11-7-9(3-4-10(11)14)15-12(17)8-13/h3-4,7H,5-6,8H2,1-2H3,(H,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of recombinant GSTO1-1 (unknown origin) expressed in Escherichia coli using S-(4-nitrophenacyl)glutathione as substrate preincubated for 2...				J Med Chem 63: 2894-2914 (2020) Article DOI: 10.1021/acs.jmedchem.9b01391 BindingDB Entry DOI: 10.7270/Q24Q7ZDQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50526130 (CHEMBL4443397) Show SMILES C=CC(=O)N(CC(=O)NC1CCCCC1)c1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C20H23N3O2S/c1-2-19(25)23(13-18(24)21-16-11-7-4-8-12-16)20-22-17(14-26-20)15-9-5-3-6-10-15/h2-3,5-6,9-10,14,16H,1,4,7-8,11-13H2,(H,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of CMFDA binding to human N-terminal 6x-His-tagged GSTO1-1 preincubated for 30 mins followed by CMFDA addition and measured after 30 mins ...				J Med Chem 62: 3068-3087 (2019) Article DOI: 10.1021/acs.jmedchem.8b01960 BindingDB Entry DOI: 10.7270/Q2TQ64ZS
					More data for this Ligand-Target Pair
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50527169 (CHEMBL4437777) Show SMILES COCCCNS(=O)(=O)c1cc(NC(=O)CCl)ccc1Cl Show InChI InChI=1S/C12H16Cl2N2O4S/c1-20-6-2-5-15-21(18,19)11-7-9(3-4-10(11)14)16-12(17)8-13/h3-4,7,15H,2,5-6,8H2,1H3,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of recombinant GSTO1-1 (unknown origin) expressed in Escherichia coli using S-(4-nitrophenacyl)glutathione as substrate preincubated for 2...				J Med Chem 63: 2894-2914 (2020) Article DOI: 10.1021/acs.jmedchem.9b01391 BindingDB Entry DOI: 10.7270/Q24Q7ZDQ
					More data for this Ligand-Target Pair
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM54247 (2-Chloro-N-(3,4-dimethoxy-benzyl)-N-[3-(4-isopropo...) Show SMILES COc1ccc(CN(CCC(c2ccccc2)c2ccc(OC(C)C)cc2)C(=O)CCl)cc1OC Show InChI InChI=1S/C29H34ClNO4/c1-21(2)35-25-13-11-24(12-14-25)26(23-8-6-5-7-9-23)16-17-31(29(32)19-30)20-22-10-15-27(33-3)28(18-22)34-4/h5-15,18,21,26H,16-17,19-20H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of GSTO1-1 (unknown origin) by 4-NPG substrate based assay				J Med Chem 61: 7448-7470 (2018) Article DOI: 10.1021/acs.jmedchem.8b00318 BindingDB Entry DOI: 10.7270/Q23T9KVG
					More data for this Ligand-Target Pair
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50458516 (CHEMBL4210652) Show SMILES CN(C)S(=O)(=O)c1cc(NC(=O)CCl)ccc1Cl Show InChI InChI=1S/C10H12Cl2N2O3S/c1-14(2)18(16,17)9-5-7(3-4-8(9)12)13-10(15)6-11/h3-5H,6H2,1-2H3,(H,13,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of recombinant GSTO1-1 (unknown origin) expressed in Escherichia coli using S-(4-nitrophenacyl)glutathione as substrate preincubated for 2...				J Med Chem 63: 2894-2914 (2020) Article DOI: 10.1021/acs.jmedchem.9b01391 BindingDB Entry DOI: 10.7270/Q24Q7ZDQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50527180 (CHEMBL4588856) Show SMILES CN(C)S(=O)(=O)c1cc(NC(=O)CCl)ccc1I Show InChI InChI=1S/C10H12ClIN2O3S/c1-14(2)18(16,17)9-5-7(3-4-8(9)12)13-10(15)6-11/h3-5H,6H2,1-2H3,(H,13,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of recombinant GSTO1-1 (unknown origin) expressed in Escherichia coli using S-(4-nitrophenacyl)glutathione as substrate preincubated for 2...				J Med Chem 63: 2894-2914 (2020) Article DOI: 10.1021/acs.jmedchem.9b01391 BindingDB Entry DOI: 10.7270/Q24Q7ZDQ
					More data for this Ligand-Target Pair
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50527179 (CHEMBL4475326) Show SMILES CN(C)S(=O)(=O)c1cc(NC(=O)CCl)ccc1Br Show InChI InChI=1S/C10H12BrClN2O3S/c1-14(2)18(16,17)9-5-7(3-4-8(9)11)13-10(15)6-12/h3-5H,6H2,1-2H3,(H,13,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of recombinant GSTO1-1 (unknown origin) expressed in Escherichia coli using S-(4-nitrophenacyl)glutathione as substrate preincubated for 2...				J Med Chem 63: 2894-2914 (2020) Article DOI: 10.1021/acs.jmedchem.9b01391 BindingDB Entry DOI: 10.7270/Q24Q7ZDQ
					More data for this Ligand-Target Pair
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50277889 (CARFILZOMIB | CHEMBL451887) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C40H57N5O7/c1-27(2)22-32(36(47)40(5)26-52-40)42-39(50)34(24-30-14-10-7-11-15-30)44-38(49)33(23-28(3)4)43-37(48)31(17-16-29-12-8-6-9-13-29)41-35(46)25-45-18-20-51-21-19-45/h6-15,27-28,31-34H,16-26H2,1-5H3,(H,41,46)(H,42,50)(H,43,48)(H,44,49)/t31-,32-,33-,34-,40+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of GSTO1-1 (unknown origin) pre-incubated for 1 hr before GSH addition by CDNB-GSH conjugation assay				J Med Chem 61: 7448-7470 (2018) Article DOI: 10.1021/acs.jmedchem.8b00318 BindingDB Entry DOI: 10.7270/Q23T9KVG
					More data for this Ligand-Target Pair
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50526129 (CHEMBL4435063) Show SMILES CC(C)(C)OC(=O)CN(C(=O)C=C)c1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C18H20N2O3S/c1-5-15(21)20(11-16(22)23-18(2,3)4)17-19-14(12-24-17)13-9-7-6-8-10-13/h5-10,12H,1,11H2,2-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of CMFDA binding to human N-terminal 6x-His-tagged GSTO1-1 preincubated for 30 mins followed by CMFDA addition and measured after 30 mins ...				J Med Chem 62: 3068-3087 (2019) Article DOI: 10.1021/acs.jmedchem.8b01960 BindingDB Entry DOI: 10.7270/Q2TQ64ZS
					More data for this Ligand-Target Pair
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50527167 (CHEMBL4445668) Show SMILES ClCC(=O)Nc1ccc(Cl)c(c1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C12H14Cl2N2O4S/c13-8-12(17)15-9-1-2-10(14)11(7-9)21(18,19)16-3-5-20-6-4-16/h1-2,7H,3-6,8H2,(H,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of recombinant GSTO1-1 (unknown origin) expressed in Escherichia coli using S-(4-nitrophenacyl)glutathione as substrate preincubated for 2...				J Med Chem 63: 2894-2914 (2020) Article DOI: 10.1021/acs.jmedchem.9b01391 BindingDB Entry DOI: 10.7270/Q24Q7ZDQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50527186 (CHEMBL4449225) Show SMILES COCCCN(C)S(=O)(=O)c1cc(NC(=O)CCl)ccc1Cl Show InChI InChI=1S/C13H18Cl2N2O4S/c1-17(6-3-7-21-2)22(19,20)12-8-10(4-5-11(12)15)16-13(18)9-14/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of recombinant GSTO1-1 (unknown origin) expressed in Escherichia coli using S-(4-nitrophenacyl)glutathione as substrate preincubated for 2...				J Med Chem 63: 2894-2914 (2020) Article DOI: 10.1021/acs.jmedchem.9b01391 BindingDB Entry DOI: 10.7270/Q24Q7ZDQ
					More data for this Ligand-Target Pair
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50526112 (CHEMBL4463910) Show SMILES Clc1ccc(cc1)-c1csc(NC(=O)C=C)n1 Show InChI InChI=1S/C12H9ClN2OS/c1-2-11(16)15-12-14-10(7-17-12)8-3-5-9(13)6-4-8/h2-7H,1H2,(H,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of CMFDA binding to human N-terminal 6x-His-tagged GSTO1-1 preincubated for 30 mins followed by CMFDA addition and measured after 30 mins ...				J Med Chem 62: 3068-3087 (2019) Article DOI: 10.1021/acs.jmedchem.8b01960 BindingDB Entry DOI: 10.7270/Q2TQ64ZS
					More data for this Ligand-Target Pair
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50527188 (CHEMBL4465385) Show SMILES CN(CCO)S(=O)(=O)c1cc(NC(=O)CCl)ccc1Cl Show InChI InChI=1S/C11H14Cl2N2O4S/c1-15(4-5-16)20(18,19)10-6-8(2-3-9(10)13)14-11(17)7-12/h2-3,6,16H,4-5,7H2,1H3,(H,14,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of recombinant GSTO1-1 (unknown origin) expressed in Escherichia coli using S-(4-nitrophenacyl)glutathione as substrate preincubated for 2...				J Med Chem 63: 2894-2914 (2020) Article DOI: 10.1021/acs.jmedchem.9b01391 BindingDB Entry DOI: 10.7270/Q24Q7ZDQ
					More data for this Ligand-Target Pair
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50526153 (CHEMBL4525870) Show SMILES Cc1cc(CN(C(=O)C=C)c2cc(cs2)-c2ccccc2O)on1 Show InChI InChI=1S/C18H16N2O3S/c1-3-17(22)20(10-14-8-12(2)19-23-14)18-9-13(11-24-18)15-6-4-5-7-16(15)21/h3-9,11,21H,1,10H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of CMFDA binding to human N-terminal 6x-His-tagged GSTO1-1 preincubated for 30 mins followed by CMFDA addition and measured after 30 mins ...				J Med Chem 62: 3068-3087 (2019) Article DOI: 10.1021/acs.jmedchem.8b01960 BindingDB Entry DOI: 10.7270/Q2TQ64ZS
					More data for this Ligand-Target Pair
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50527170 (CHEMBL4520358) Show SMILES ClCC(=O)Nc1ccc(Cl)c(c1)S(=O)(=O)NCC1CCCO1 Show InChI InChI=1S/C13H16Cl2N2O4S/c14-7-13(18)17-9-3-4-11(15)12(6-9)22(19,20)16-8-10-2-1-5-21-10/h3-4,6,10,16H,1-2,5,7-8H2,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of recombinant GSTO1-1 (unknown origin) expressed in Escherichia coli using S-(4-nitrophenacyl)glutathione as substrate preincubated for 2...				J Med Chem 63: 2894-2914 (2020) Article DOI: 10.1021/acs.jmedchem.9b01391 BindingDB Entry DOI: 10.7270/Q24Q7ZDQ
					More data for this Ligand-Target Pair
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50527191 (CHEMBL4544892) Show SMILES CN(C)S(=O)(=O)c1cc(NC(=O)CCl)ccc1OC(F)(F)F Show InChI InChI=1S/C11H12ClF3N2O4S/c1-17(2)22(19,20)9-5-7(16-10(18)6-12)3-4-8(9)21-11(13,14)15/h3-5H,6H2,1-2H3,(H,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of recombinant GSTO1-1 (unknown origin) expressed in Escherichia coli using S-(4-nitrophenacyl)glutathione as substrate preincubated for 2...				J Med Chem 63: 2894-2914 (2020) Article DOI: 10.1021/acs.jmedchem.9b01391 BindingDB Entry DOI: 10.7270/Q24Q7ZDQ
					More data for this Ligand-Target Pair
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50526137 (CHEMBL4462744) Show SMILES CCOC(=O)c1cc(sc1NC(=O)C=C)-c1ccccc1 Show InChI InChI=1S/C16H15NO3S/c1-3-14(18)17-15-12(16(19)20-4-2)10-13(21-15)11-8-6-5-7-9-11/h3,5-10H,1,4H2,2H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of CMFDA binding to human N-terminal 6x-His-tagged GSTO1-1 preincubated for 30 mins followed by CMFDA addition and measured after 30 mins ...				J Med Chem 62: 3068-3087 (2019) Article DOI: 10.1021/acs.jmedchem.8b01960 BindingDB Entry DOI: 10.7270/Q2TQ64ZS
					More data for this Ligand-Target Pair
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50526131 (CHEMBL4455136) Show SMILES C=CC(=O)N(CC(=O)NCCN1CCOCC1)c1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C20H24N4O3S/c1-2-19(26)24(14-18(25)21-8-9-23-10-12-27-13-11-23)20-22-17(15-28-20)16-6-4-3-5-7-16/h2-7,15H,1,8-14H2,(H,21,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of CMFDA binding to human N-terminal 6x-His-tagged GSTO1-1 preincubated for 30 mins followed by CMFDA addition and measured after 30 mins ...				J Med Chem 62: 3068-3087 (2019) Article DOI: 10.1021/acs.jmedchem.8b01960 BindingDB Entry DOI: 10.7270/Q2TQ64ZS
					More data for this Ligand-Target Pair
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50155925 (CHEMBL3781794) Show SMILES Fc1ccc(cc1S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12)C1CO1 Show InChI InChI=1S/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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.5b01091 BindingDB Entry DOI: 10.7270/Q2416ZZM
					More data for this Ligand-Target Pair
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50527166 (CHEMBL4589666) Show SMILES FC(F)(F)c1ccc(NC(=O)CCl)cc1S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C13H14ClF3N2O4S/c14-8-12(20)18-9-1-2-10(13(15,16)17)11(7-9)24(21,22)19-3-5-23-6-4-19/h1-2,7H,3-6,8H2,(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of recombinant GSTO1-1 (unknown origin) expressed in Escherichia coli using S-(4-nitrophenacyl)glutathione as substrate preincubated for 2...				J Med Chem 63: 2894-2914 (2020) Article DOI: 10.1021/acs.jmedchem.9b01391 BindingDB Entry DOI: 10.7270/Q24Q7ZDQ
					More data for this Ligand-Target Pair
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50526127 (CHEMBL4459484) Show SMILES CCOC(=O)c1sc(NC(=O)C=C)nc1-c1ccccc1 Show InChI InChI=1S/C15H14N2O3S/c1-3-11(18)16-15-17-12(10-8-6-5-7-9-10)13(21-15)14(19)20-4-2/h3,5-9H,1,4H2,2H3,(H,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of CMFDA binding to human N-terminal 6x-His-tagged GSTO1-1 preincubated for 30 mins followed by CMFDA addition and measured after 30 mins ...				J Med Chem 62: 3068-3087 (2019) Article DOI: 10.1021/acs.jmedchem.8b01960 BindingDB Entry DOI: 10.7270/Q2TQ64ZS
					More data for this Ligand-Target Pair
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50526119 (CHEMBL4473088) Show SMILES FC(F)(F)c1ccc(cc1)-c1csc(NC(=O)C=C)n1 Show InChI InChI=1S/C13H9F3N2OS/c1-2-11(19)18-12-17-10(7-20-12)8-3-5-9(6-4-8)13(14,15)16/h2-7H,1H2,(H,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of CMFDA binding to human N-terminal 6x-His-tagged GSTO1-1 preincubated for 30 mins followed by CMFDA addition and measured after 30 mins ...				J Med Chem 62: 3068-3087 (2019) Article DOI: 10.1021/acs.jmedchem.8b01960 BindingDB Entry DOI: 10.7270/Q2TQ64ZS
					More data for this Ligand-Target Pair
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50527187 (CHEMBL4441594) Show SMILES ClCC(=O)Nc1ccc(Cl)c(c1)S(=O)(=O)NC1CCOC1 Show InChI InChI=1S/C12H14Cl2N2O4S/c13-6-12(17)15-8-1-2-10(14)11(5-8)21(18,19)16-9-3-4-20-7-9/h1-2,5,9,16H,3-4,6-7H2,(H,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of recombinant GSTO1-1 (unknown origin) expressed in Escherichia coli using S-(4-nitrophenacyl)glutathione as substrate preincubated for 2...				J Med Chem 63: 2894-2914 (2020) Article DOI: 10.1021/acs.jmedchem.9b01391 BindingDB Entry DOI: 10.7270/Q24Q7ZDQ
					More data for this Ligand-Target Pair
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50155924 (CHEMBL3780419) Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)c1cc(ccc1F)C1CO1 Show InChI InChI=1S/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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.5b01091 BindingDB Entry DOI: 10.7270/Q2416ZZM
					More data for this Ligand-Target Pair
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50526134 (CHEMBL4548287) Show SMILES COc1ccccc1-c1csc(n1)N(Cc1cc(C)no1)C(=O)C=C Show InChI InChI=1S/C18H17N3O3S/c1-4-17(22)21(10-13-9-12(2)20-24-13)18-19-15(11-25-18)14-7-5-6-8-16(14)23-3/h4-9,11H,1,10H2,2-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of CMFDA binding to human N-terminal 6x-His-tagged GSTO1-1 preincubated for 30 mins followed by CMFDA addition and measured after 30 mins ...				J Med Chem 62: 3068-3087 (2019) Article DOI: 10.1021/acs.jmedchem.8b01960 BindingDB Entry DOI: 10.7270/Q2TQ64ZS
					More data for this Ligand-Target Pair
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50526128 (CHEMBL4444587) Show SMILES COC(=O)CN(C(=O)C=C)c1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C15H14N2O3S/c1-3-13(18)17(9-14(19)20-2)15-16-12(10-21-15)11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of CMFDA binding to human N-terminal 6x-His-tagged GSTO1-1 preincubated for 30 mins followed by CMFDA addition and measured after 30 mins ...				J Med Chem 62: 3068-3087 (2019) Article DOI: 10.1021/acs.jmedchem.8b01960 BindingDB Entry DOI: 10.7270/Q2TQ64ZS
					More data for this Ligand-Target Pair
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50526113 (CHEMBL4437360) Show SMILES C=CC(=O)Nc1nc(cs1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C16H12N2OS/c1-2-15(19)18-16-17-14(10-20-16)13-8-7-11-5-3-4-6-12(11)9-13/h2-10H,1H2,(H,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of CMFDA binding to human N-terminal 6x-His-tagged GSTO1-1 preincubated for 30 mins followed by CMFDA addition and measured after 30 mins ...				J Med Chem 62: 3068-3087 (2019) Article DOI: 10.1021/acs.jmedchem.8b01960 BindingDB Entry DOI: 10.7270/Q2TQ64ZS
					More data for this Ligand-Target Pair
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50458514 (CHEMBL4214871) Show SMILES CCN(CC)C(=O)SSC(=O)N(CC)CC Show InChI InChI=1S/C10H20N2O2S2/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	<400	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of GSTO1-1 (unknown origin) by enzymatic assay				J Med Chem 61: 7448-7470 (2018) Article DOI: 10.1021/acs.jmedchem.8b00318 BindingDB Entry DOI: 10.7270/Q23T9KVG
					More data for this Ligand-Target Pair
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50526150 (CHEMBL4464480) Show SMILES C=CC(=O)Nc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C12H10N2OS/c1-2-11(15)14-12-13-10(8-16-12)9-6-4-3-5-7-9/h2-8H,1H2,(H,13,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of CMFDA binding to human N-terminal 6x-His-tagged GSTO1-1 preincubated for 30 mins followed by CMFDA addition and measured after 30 mins ...				J Med Chem 62: 3068-3087 (2019) Article DOI: 10.1021/acs.jmedchem.8b01960 BindingDB Entry DOI: 10.7270/Q2TQ64ZS
					More data for this Ligand-Target Pair

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