Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-citrate synthase' and Ligand = 'BDBM50066674'   

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))	BDBM50066674 ((R)-2-[(S)-9-(2,4-Dichloro-phenyl)-1-hydroxy-nonyl...) Show SMILES O[C@@H](CCCCCCCCc1ccc(Cl)cc1Cl)[C@](O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C19H26Cl2O6/c20-14-10-9-13(15(21)11-14)7-5-3-1-2-4-6-8-16(22)19(27,18(25)26)12-17(23)24/h9-11,16,22,27H,1-8,12H2,(H,23,24)(H,25,26)/t16-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.80E+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 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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