Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-citrate synthase' and Ligand = 'BDBM50053024'   

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
ATP-citrate synthase (Rattus norvegicus)	BDBM50053024 (4-[6-(2,4-Dichloro-phenyl)-hexylsulfanyl]-3-hydrox...) Show SMILES OC(CSCCCCCCc1ccc(Cl)cc1Cl)CC(O)=O Show InChI InChI=1S/C16H22Cl2O3S/c17-13-7-6-12(15(18)9-13)5-3-1-2-4-8-22-11-14(19)10-16(20)21/h6-7,9,14,19H,1-5,8,10-11H2,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	8.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibitory activity against rat ATP-citrate lyase activity by the maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH.				J Med Chem 39: 3569-84 (1996) Article DOI: 10.1021/jm960167w BindingDB Entry DOI: 10.7270/Q21N807N
					More data for this Ligand-Target Pair