BDBM50038127 (6R,7R)-1-(4-Acetoxy-5-methyl-6-phenyl-hexyl)-4,7-dihydroxy-6-((E)-6-methyl-9-phenyl-non-4-enoyloxy)-2,8-dioxa-bicyclo[3.2.1]octane-3,4,5-tricarboxylic acid::CHEMBL335691
SMILES: CC(CCCc1ccccc1)\C=C\CCC(=O)O[C@@H]1[C@@H](O)C2(CCCC(OC(C)=O)C(C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
InChI Key: InChIKey=KQMNJFMTGHRJHM-RZQDBNOPSA-N
Data: 1 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 synthetase (Rattus norvegicus) | BDBM50038127 ((6R,7R)-1-(4-Acetoxy-5-methyl-6-phenyl-hexyl)-4,7-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.370 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Tested for inhibition against squalene synthase enzyme in rat liver | J Med Chem 37: 4031-51 (1994) BindingDB Entry DOI: 10.7270/Q2PC31F0 | |||||||||||
More data for this Ligand-Target Pair |