BDBM50049229 1-Phosphono-4-[4-(4-butylphenyl)phenyl]butylsulfonic Acid Tripotassium Salt::CHEMBL158844::Tripotassium salt of 4-(4'-Butyl-biphenyl-4-yl)-1-phosphono-butane-1-sulfonic acid

SMILES: CCCCc1ccc(cc1)-c1ccc(CCCC(P([O-])([O-])=O)S([O-])(=O)=O)cc1

InChI Key: InChIKey=OREYYBVIEVJHEQ-UHFFFAOYSA-K

Data: 3 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 3 hits for monomerid = 50049229   

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)	BDBM50049229 (1-Phosphono-4-[4-(4-butylphenyl)phenyl]butylsulfon...) Show SMILES CCCCc1ccc(cc1)-c1ccc(CCCC(P([O-])([O-])=O)S([O-])(=O)=O)cc1 Show InChI InChI=1S/C20H27O6PS/c1-2-3-5-16-8-12-18(13-9-16)19-14-10-17(11-15-19)6-4-7-20(27(21,22)23)28(24,25)26/h8-15,20H,2-7H2,1H3,(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	192	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
Squalene synthetase (Homo sapiens (Human))	BDBM50049229 (1-Phosphono-4-[4-(4-butylphenyl)phenyl]butylsulfon...) Show SMILES CCCCc1ccc(cc1)-c1ccc(CCCC(P([O-])([O-])=O)S([O-])(=O)=O)cc1 Show InChI InChI=1S/C20H27O6PS/c1-2-3-5-16-8-12-18(13-9-16)19-14-10-17(11-15-19)6-4-7-20(27(21,22)23)28(24,25)26/h8-15,20H,2-7H2,1H3,(H2,21,22,23)(H,24,25,26)/p-3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite ...				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
Dehydrosqualene synthase (Staphylococcus aureus)	BDBM50049229 (1-Phosphono-4-[4-(4-butylphenyl)phenyl]butylsulfon...) Show SMILES CCCCc1ccc(cc1)-c1ccc(CCCC(P([O-])([O-])=O)S([O-])(=O)=O)cc1 Show InChI InChI=1S/C20H27O6PS/c1-2-3-5-16-8-12-18(13-9-16)19-14-10-17(11-15-19)6-4-7-20(27(21,22)23)28(24,25)26/h8-15,20H,2-7H2,1H3,(H2,21,22,23)(H,24,25,26)/p-3	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectrophotometric assay				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair