Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-citrate synthase' and Ligand = 'BDBM50066702'   

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))	BDBM50066702 ((S)-2-[(R)-8-(4-Chloro-2-pyrrol-1-yl-phenyl)-2-hyd...) Show SMILES O[C@H](CCCCCCc1ccc(Cl)cc1-n1cccc1)C[C@](O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C22H28ClNO6/c23-17-10-9-16(19(13-17)24-11-5-6-12-24)7-3-1-2-4-8-18(25)14-22(30,21(28)29)15-20(26)27/h5-6,9-13,18,25,30H,1-4,7-8,14-15H2,(H,26,27)(H,28,29)/t18-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	3.90E+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
					More data for this Ligand-Target Pair