Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-citrate synthase' and Ligand = 'BDBM50066675'   

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))	BDBM50066675 ((S)-2-[(R)-7-(5-Chloro-3-methyl-indol-1-yl)-2-hydr...) Show SMILES Cc1cn(CCCCC[C@@H](O)C[C@](O)(CC(O)=O)C(O)=O)c2ccc(Cl)cc12 Show InChI InChI=1S/C20H26ClNO6/c1-13-12-22(17-7-6-14(21)9-16(13)17)8-4-2-3-5-15(23)10-20(28,19(26)27)11-18(24)25/h6-7,9,12,15,23,28H,2-5,8,10-11H2,1H3,(H,24,25)(H,26,27)/t15-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	9.50E+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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