Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-citrate synthase' and Ligand = 'BDBM50066701'   

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 (Homo sapiens (Human))	BDBM50066701 ((R)-2-[(S)-8-(2,4-Dichloro-phenyl)-1-hydroxy-octyl...) Show SMILES O[C@@H](CCCCCCCc1ccc(Cl)cc1Cl)[C@](O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C18H24Cl2O6/c19-13-9-8-12(14(20)10-13)6-4-2-1-3-5-7-15(21)18(26,17(24)25)11-16(22)23/h8-10,15,21,26H,1-7,11H2,(H,22,23)(H,24,25)/t15-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	5.70E+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 human recombinant ATP-Citrate Lyase (ACL) enzyme				J Med Chem 41: 3582-95 (1998) Article DOI: 10.1021/jm980091z BindingDB Entry DOI: 10.7270/Q2B8577D
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