BDBM50049223 CHEMBL158851::Tripotassium salt of4-[3-(2-Butyl-phenoxy)-phenyl]-1-phosphono-butane-1-sulfonic acid

SMILES: CCCCc1ccccc1Oc1cccc(CCCC(P([O-])([O-])=O)S([O-])(=O)=O)c1

InChI Key: InChIKey=LPFRQEAEBAZNFY-UHFFFAOYSA-K

Data: 1 IC50

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 = 50049223   

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
Squalene synthetase (Rattus norvegicus)	BDBM50049223 (CHEMBL158851 | Tripotassium salt of4-[3-(2-Butyl-p...) Show SMILES CCCCc1ccccc1Oc1cccc(CCCC(P([O-])([O-])=O)S([O-])(=O)=O)c1 Show InChI InChI=1S/C20H27O7PS/c1-2-3-10-17-11-4-5-13-19(17)27-18-12-6-8-16(15-18)9-7-14-20(28(21,22)23)29(24,25)26/h4-6,8,11-13,15,20H,2-3,7,9-10,14H2,1H3,(H2,21,22,23)(H,24,25,26)/p-3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against rat liver microsomal squalene synthase was determined using [3H]-FPP as radioligand				J Med Chem 39: 657-60 (1996) Article DOI: 10.1021/jm9507340 BindingDB Entry DOI: 10.7270/Q2N29W1T
					More data for this Ligand-Target Pair