Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glutathione S-transferase Mu 1' and Ligand = 'BDBM32268'   

Target/Host (Institution)	Ligand	Target/Host 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	pH	Temp °C
Glutathione S-transferase Mu 1 (Homo sapiens (Human))	BDBM32268 (6,7-dimethoxy-4-(3-methoxypropylamino)-1H-quinazol...) Show SMILES COCCCNc1[nH]c(=S)nc2cc(OC)c(OC)cc12 Show InChI InChI=1S/C14H19N3O3S/c1-18-6-4-5-15-13-9-7-11(19-2)12(20-3)8-10(9)16-14(21)17-13/h7-8H,4-6H2,1-3H3,(H2,15,16,17,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.52E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-re...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2ZC8184
					More data for this Ligand-Target Pair
Glutathione S-transferase Mu 1 (Homo sapiens (Human))	BDBM32268 (6,7-dimethoxy-4-(3-methoxypropylamino)-1H-quinazol...) Show SMILES COCCCNc1[nH]c(=S)nc2cc(OC)c(OC)cc12 Show InChI InChI=1S/C14H19N3O3S/c1-18-6-4-5-15-13-9-7-11(19-2)12(20-3)8-10(9)16-14(21)17-13/h7-8H,4-6H2,1-3H3,(H2,15,16,17,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	5.35E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2M61HPT
					More data for this Ligand-Target Pair