Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-citrate synthase' and Ligand = 'BDBM50036217'   

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)	BDBM50036217 ((2S,3R)-3-Carboxy-3-hydroxy-2-methylsulfanyl-penta...) Show SMILES CS[C@H](C(O)=O)[C@@](O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C7H10O7S/c1-15-4(5(10)11)7(14,6(12)13)2-3(8)9/h4,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t4-,7+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	3.40E+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 Reversible binding potential for rat ATP-Citrate Lyase as carbon-carbon bond cleavage activity in citrate substrate				J Med Chem 38: 537-43 (1995) BindingDB Entry DOI: 10.7270/Q21Z43GM
					More data for this Ligand-Target Pair