BDBM50292847 4-[4-(4-Trifluoromethylphenyl)phenyl)]butyldiphosphonic Acid Dipotassium Salt::CHEMBL460896

SMILES: [O-]P([O-])(=O)C(CCCc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)P([O-])([O-])=O

InChI Key: InChIKey=UPZLJSDZIBONGH-UHFFFAOYSA-J

Data: 1 KI  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 3 hits for monomerid = 50292847   

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
Dehydrosqualene synthase (Staphylococcus aureus)	BDBM50292847 (4-[4-(4-Trifluoromethylphenyl)phenyl)]butyldiphosp...) Show SMILES [O-]P([O-])(=O)C(CCCc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)P([O-])([O-])=O Show InChI InChI=1S/C17H19F3O6P2/c18-17(19,20)15-10-8-14(9-11-15)13-6-4-12(5-7-13)2-1-3-16(27(21,22)23)28(24,25)26/h4-11,16H,1-3H2,(H2,21,22,23)(H2,24,25,26)/p-4	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	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
Squalene synthetase (Homo sapiens (Human))	BDBM50292847 (4-[4-(4-Trifluoromethylphenyl)phenyl)]butyldiphosp...) Show SMILES [O-]P([O-])(=O)C(CCCc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)P([O-])([O-])=O Show InChI InChI=1S/C17H19F3O6P2/c18-17(19,20)15-10-8-14(9-11-15)13-6-4-12(5-7-13)2-1-3-16(27(21,22)23)28(24,25)26/h4-11,16H,1-3H2,(H2,21,22,23)(H2,24,25,26)/p-4	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	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 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)	BDBM50292847 (4-[4-(4-Trifluoromethylphenyl)phenyl)]butyldiphosp...) Show SMILES [O-]P([O-])(=O)C(CCCc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)P([O-])([O-])=O Show InChI InChI=1S/C17H19F3O6P2/c18-17(19,20)15-10-8-14(9-11-15)13-6-4-12(5-7-13)2-1-3-16(27(21,22)23)28(24,25)26/h4-11,16H,1-3H2,(H2,21,22,23)(H2,24,25,26)/p-4	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	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