Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-citrate synthase' and Ligand = 'BDBM50053022'   

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)	BDBM50053022 (2-[6-(2-Benzyl-phenyl)-hexylsulfanylmethyl]-2-hydr...) Show SMILES OC(=O)CC(O)(CSCCCCCCc1ccccc1Cc1ccccc1)C(O)=O Show InChI InChI=1S/C24H30O5S/c25-22(26)17-24(29,23(27)28)18-30-15-9-2-1-6-12-20-13-7-8-14-21(20)16-19-10-4-3-5-11-19/h3-5,7-8,10-11,13-14,29H,1-2,6,9,12,15-18H2,(H,25,26)(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	9.40E+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 Inhibition of recombinant ATP-Citrate Lyase activity as 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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