Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-citrate synthase' and Ligand = 'BDBM50053016'   

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)	BDBM50053016 (2-[(E)-6-(2,4-Dichloro-phenyl)-hex-5-enylsulfanylm...) Show SMILES OC(=O)CC(O)(CSCCCC\C=C\c1ccc(Cl)cc1Cl)C(O)=O Show InChI InChI=1S/C17H20Cl2O5S/c18-13-7-6-12(14(19)9-13)5-3-1-2-4-8-25-11-17(24,16(22)23)10-15(20)21/h3,5-7,9,24H,1-2,4,8,10-11H2,(H,20,21)(H,22,23)/b5-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	7.40E+3	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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