BDBM50049234 CHEMBL158667::Tripotassium salt of 1-Phosphono-4-[3-(3-propyl-phenoxy)-phenyl]-butane-1-sulfonic acid

SMILES: CCCc1cccc(Oc2cccc(CCCC(P([O-])([O-])=O)S([O-])(=O)=O)c2)c1

InChI Key: InChIKey=YBCRPMFKNCYMRX-UHFFFAOYSA-K

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50049234   

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)	BDBM50049234 (CHEMBL158667 | Tripotassium salt of 1-Phosphono-4-...) Show SMILES CCCc1cccc(Oc2cccc(CCCC(P([O-])([O-])=O)S([O-])(=O)=O)c2)c1 Show InChI InChI=1S/C19H25O7PS/c1-2-6-15-7-3-10-17(13-15)26-18-11-4-8-16(14-18)9-5-12-19(27(20,21)22)28(23,24)25/h3-4,7-8,10-11,13-14,19H,2,5-6,9,12H2,1H3,(H2,20,21,22)(H,23,24,25)/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	6.90E+3	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
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