BDBM50292848 1-Phosphono-4-[3-(4-fluorophenoxy)phenyl]butylsulfonic Acid Tripotassium Salt::CHEMBL461778
SMILES: [O-]P([O-])(=O)C(CCCc1cccc(Oc2ccc(F)cc2)c1)S([O-])(=O)=O
InChI Key: InChIKey=KVVRHSOKDFBFGC-UHFFFAOYSA-K
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) | BDBM50292848 (1-Phosphono-4-[3-(4-fluorophenoxy)phenyl]butylsulf...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 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)) | BDBM50292848 (1-Phosphono-4-[3-(4-fluorophenoxy)phenyl]butylsulf...) | 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 | 17 | 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) | BDBM50292848 (1-Phosphono-4-[3-(4-fluorophenoxy)phenyl]butylsulf...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.30E+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 |