Compile Data Set for Download or QSAR

Found 10 hits of ki 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))	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	440	n/a	n/a	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 assessed as inhibitor constant using S-(4-nitrophenacyl)glutathione ...				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))	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	610	n/a	n/a	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 assessed as inhibitor constant using S-(4-nitrophenacyl)glutathione ...				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))	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	1.20E+3	n/a	n/a	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 assessed as inhibitor constant using S-(4-nitrophenacyl)glutathione ...				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))	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	2.50E+3	n/a	n/a	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 assessed as inhibitor constant using S-(4-nitrophenacyl)glutathione ...				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	4.80E+3	n/a	n/a	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 assessed as inhibitor constant using S-(4-nitrophenacyl)glutathione ...				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))	BDBM50527185 (CHEMBL4580168) Show SMILES CN(C)S(=O)(=O)c1cc(ccc1Cl)C1CO1 Show InChI InChI=1S/C10H12ClNO3S/c1-12(2)16(13,14)10-5-7(9-6-15-9)3-4-8(10)11/h3-5,9H,6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.00E+3	n/a	n/a	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 assessed as inhibitor constant using S-(4-nitrophenacyl)glutathione ...				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))	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	6.70E+3	n/a	n/a	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 assessed as inhibitor constant using S-(4-nitrophenacyl)glutathione ...				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	6.90E+3	n/a	n/a	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 assessed as inhibitor constant using S-(4-nitrophenacyl)glutathione ...				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))	BDBM50527165 (CHEMBL4554461) Show SMILES CN(C)S(=O)(=O)c1cc(CS(F)(=O)=O)ccc1Cl Show InChI InChI=1S/C9H11ClFNO4S2/c1-12(2)18(15,16)9-5-7(3-4-8(9)10)6-17(11,13)14/h3-5H,6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.60E+3	n/a	n/a	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 assessed as inhibitor constant using S-(4-nitrophenacyl)glutathione ...				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))	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	9.90E+3	n/a	n/a	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 assessed as inhibitor constant using S-(4-nitrophenacyl)glutathione ...				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