BDBM50066691 (S)-2-[(R)-7-(5-Chloro-2-methyl-indol-1-yl)-2-hydroxy-heptyl]-2-hydroxy-succinic acid::CHEMBL331772

SMILES: Cc1cc2cc(Cl)ccc2n1CCCCC[C@@H](O)C[C@](O)(CC(O)=O)C(O)=O

InChI Key: InChIKey=BRCRZJZGUKEUKF-UZLBHIALSA-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 = 50066691   

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))	BDBM50066691 ((S)-2-[(R)-7-(5-Chloro-2-methyl-indol-1-yl)-2-hydr...) Show SMILES Cc1cc2cc(Cl)ccc2n1CCCCC[C@@H](O)C[C@](O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C20H26ClNO6/c1-13-9-14-10-15(21)6-7-17(14)22(13)8-4-2-3-5-16(23)11-20(28,19(26)27)12-18(24)25/h6-7,9-10,16,23,28H,2-5,8,11-12H2,1H3,(H,24,25)(H,26,27)/t16-,20+/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	1.30E+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