BDBM50066686 (S)-2-[(R)-7-(3-Benzyl-5-chloro-indol-1-yl)-2-hydroxy-heptyl]-2-hydroxy-succinic acid::CHEMBL118726

SMILES: O[C@H](CCCCCn1cc(Cc2ccccc2)c2cc(Cl)ccc12)C[C@](O)(CC(O)=O)C(O)=O

InChI Key: InChIKey=VCDSFTGSUSPFFJ-RLWLMLJZSA-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 = 50066686   

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))	BDBM50066686 ((S)-2-[(R)-7-(3-Benzyl-5-chloro-indol-1-yl)-2-hydr...) Show SMILES O[C@H](CCCCCn1cc(Cc2ccccc2)c2cc(Cl)ccc12)C[C@](O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C26H30ClNO6/c27-20-10-11-23-22(14-20)19(13-18-7-3-1-4-8-18)17-28(23)12-6-2-5-9-21(29)15-26(34,25(32)33)16-24(30)31/h1,3-4,7-8,10-11,14,17,21,29,34H,2,5-6,9,12-13,15-16H2,(H,30,31)(H,32,33)/t21-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	2.90E+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
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