Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for entry = 50040529   

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 A1 (Homo sapiens (Human))	BDBM50395590 (CHEMBL2165141) Show SMILES Cn1cccc1S(=O)(=O)Cc1ccccc1\N=C\c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C19H17N3O4S/c1-21-12-4-7-19(21)27(25,26)14-16-5-2-3-6-18(16)20-13-15-8-10-17(11-9-15)22(23)24/h2-13H,14H2,1H3/b20-13+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agricultural University of Athens Curated by ChEMBL					Assay Description Competitive inhibition of recombinant human GSTA1-1 expressed in Escherichia coli BL21 (DE3) using CDNB as substrate				J Med Chem 55: 6802-13 (2012) Article DOI: 10.1021/jm300385f BindingDB Entry DOI: 10.7270/Q2DN4654
					More data for this Ligand-Target Pair
Glutathione S-transferase A1 (Homo sapiens (Human))	BDBM50395591 (CHEMBL2165146) Show SMILES Cn1cccc1S(=O)(=O)Cc1ccccc1[N+]([O-])=O Show InChI InChI=1S/C12H12N2O4S/c1-13-8-4-7-12(13)19(17,18)9-10-5-2-3-6-11(10)14(15)16/h2-8H,9H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.35E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agricultural University of Athens Curated by ChEMBL					Assay Description Competitive inhibition of recombinant human GSTA1-1 expressed in Escherichia coli BL21 (DE3) using CDNB as substrate				J Med Chem 55: 6802-13 (2012) Article DOI: 10.1021/jm300385f BindingDB Entry DOI: 10.7270/Q2DN4654
					More data for this Ligand-Target Pair