BDBM50292850 1-Phosphono-4-[3-(3,5-dichlorophenoxy)phenyl]butylsulfonic Acid Tripotassium Salt::CHEMBL490690

SMILES: [O-]P([O-])(=O)C(CCCc1cccc(Oc2cc(Cl)cc(Cl)c2)c1)S([O-])(=O)=O

InChI Key: InChIKey=AHPNQARALAWXAF-UHFFFAOYSA-K

Data: 2 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 2 hits for monomerid = 50292850   

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 (Homo sapiens (Human))	BDBM50292850 (1-Phosphono-4-[3-(3,5-dichlorophenoxy)phenyl]butyl...) Show SMILES [O-]P([O-])(=O)C(CCCc1cccc(Oc2cc(Cl)cc(Cl)c2)c1)S([O-])(=O)=O Show InChI InChI=1S/C16H17Cl2O7PS/c17-12-8-13(18)10-15(9-12)25-14-5-1-3-11(7-14)4-2-6-16(26(19,20)21)27(22,23)24/h1,3,5,7-10,16H,2,4,6H2,(H2,19,20,21)(H,22,23,24)/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	20	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)	BDBM50292850 (1-Phosphono-4-[3-(3,5-dichlorophenoxy)phenyl]butyl...) Show SMILES [O-]P([O-])(=O)C(CCCc1cccc(Oc2cc(Cl)cc(Cl)c2)c1)S([O-])(=O)=O Show InChI InChI=1S/C16H17Cl2O7PS/c17-12-8-13(18)10-15(9-12)25-14-5-1-3-11(7-14)4-2-6-16(26(19,20)21)27(22,23)24/h1,3,5,7-10,16H,2,4,6H2,(H2,19,20,21)(H,22,23,24)/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	6.30E+3	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