BDBM50066704 (S)-2-[(R)-6-(5-Chloro-indol-1-yl)-2-hydroxy-hexyl]-2-hydroxy-succinic acid::CHEMBL120253

SMILES: O[C@H](CCCCn1ccc2cc(Cl)ccc12)C[C@](O)(CC(O)=O)C(O)=O

InChI Key: InChIKey=OQKAHFATIDKFKA-KDOFPFPSSA-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 = 50066704   

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))	BDBM50066704 ((S)-2-[(R)-6-(5-Chloro-indol-1-yl)-2-hydroxy-hexyl...) Show SMILES O[C@H](CCCCn1ccc2cc(Cl)ccc12)C[C@](O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C18H22ClNO6/c19-13-4-5-15-12(9-13)6-8-20(15)7-2-1-3-14(21)10-18(26,17(24)25)11-16(22)23/h4-6,8-9,14,21,26H,1-3,7,10-11H2,(H,22,23)(H,24,25)/t14-,18+/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	1.60E+5	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