BDBM50066703 (S)-2-[(R)-8-(4-Chloro-2-methoxy-phenyl)-2-hydroxy-octyl]-2-hydroxy-succinic acid::CHEMBL121651

SMILES: COc1cc(Cl)ccc1CCCCCC[C@@H](O)C[C@](O)(CC(O)=O)C(O)=O

InChI Key: InChIKey=GHVBINRZNUKALH-BEFAXECRSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50066703   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
ATP-citrate synthase (Homo sapiens (Human))	BDBM50066703 ((S)-2-[(R)-8-(4-Chloro-2-methoxy-phenyl)-2-hydroxy...) Show SMILES COc1cc(Cl)ccc1CCCCCC[C@@H](O)C[C@](O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C19H27ClO7/c1-27-16-10-14(20)9-8-13(16)6-4-2-3-5-7-15(21)11-19(26,18(24)25)12-17(22)23/h8-10,15,21,26H,2-7,11-12H2,1H3,(H,22,23)(H,24,25)/t15-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.90E+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
					More data for this Ligand-Target Pair