Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Microsomal glutathione S-transferase 1' and Ligand = 'BDBM50422689'   

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
Microsomal glutathione S-transferase 1 (Homo sapiens (Human))	BDBM50422689 (640/359 | CEFUROXIME) Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1 |r,c:16| Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	3.24E+4	n/a	5.64E+4	n/a	n/a	n/a	n/a	6.5	n/a
Ondokuz Mayis University					Assay Description Enzymatic activity was determined spectrophotometrically by measuring the conjugation of CDNB with GSH. The 1 ml assay mixture contained 0.5 mM CDNB,...				J Enzyme Inhib Med Chem 28: 824-9 (2013) Article DOI: 10.3109/14756366.2012.688042 BindingDB Entry DOI: 10.7270/Q21J98P4
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