Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-citrate synthase' and Ligand = 'BDBM50053030'   

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)	BDBM50053030 (2-[6-(2,4-Dichloro-phenyl)-6-oxo-hexylsulfanylmeth...) Show SMILES OC(=O)CC(O)(CSCCCCCC(=O)c1ccc(Cl)cc1Cl)C(O)=O Show InChI InChI=1S/C17H20Cl2O6S/c18-11-5-6-12(13(19)8-11)14(20)4-2-1-3-7-26-10-17(25,16(23)24)9-15(21)22/h5-6,8,25H,1-4,7,9-10H2,(H,21,22)(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.30E+5	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
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