BDBM50281082 (Hydroxy-methoxy-phosphorylmethyl)-((3E,7E)-4,8,12-trimethyl-trideca-3,7,11-trienyl)-phosphinic acid anion::(Hydroxy-methoxy-phosphorylmethyl)-(4,8,12-trimethyl-trideca-3,7,11-trienyl)-phosphinic acid anion
SMILES: [#6]-[#8]P([#8-])(=O)[#6]P([#8-])(=O)[#6]=[#6]-[#6]-[#6](-[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]
InChI Key: InChIKey=LQQHFDLZPRVXSW-XKQXORHHSA-L
Data: 2 IC50
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 synthase (Rattus norvegicus) | BDBM50281082 ((Hydroxy-methoxy-phosphorylmethyl)-((3E,7E)-4,8,12...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.77E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Squibb Institute for Medical Research Curated by ChEMBL | Assay Description Inhibition of squalene synthetase was determined in rat liver microsomes | J Med Chem 31: 1869-71 (1988) BindingDB Entry DOI: 10.7270/Q2NZ88T8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Squalene synthase (Rattus norvegicus) | BDBM50281082 ((Hydroxy-methoxy-phosphorylmethyl)-((3E,7E)-4,8,12...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article | n/a | n/a | 1.77E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description In vitro inhibitory activity measured against rat squalene synthase(SQS) enzyme | Bioorg Med Chem Lett 3: 2541-2546 (1993) Article DOI: 10.1016/S0960-894X(01)80713-7 BindingDB Entry DOI: 10.7270/Q26Q1XQP | |||||||||||
More data for this Ligand-Target Pair |