Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-citrate synthase' and Ligand = 'BDBM50053026'   

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)	BDBM50053026 (2-[4-(2,4-Dichloro-benzenesulfonylamino)-butylsulf...) Show SMILES OC(=O)CC(O)(CSCCCCNS(=O)(=O)c1ccc(Cl)cc1Cl)C(O)=O Show InChI InChI=1S/C15H19Cl2NO7S2/c16-10-3-4-12(11(17)7-10)27(24,25)18-5-1-2-6-26-9-15(23,14(21)22)8-13(19)20/h3-4,7,18,23H,1-2,5-6,8-9H2,(H,19,20)(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.75E+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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