BDBM50037285 (1S,3S,4S,5R,6R,7R)-6-((E)-(4S,6S)-4,6-Dimethyl-oct-2-enoyloxy)-4,7-dihydroxy-1-((4R,5S)-4-hydroxy-5-methyl-3-methylene-6-phenyl-hexyl)-2,8-dioxa-bicyclo[3.2.1]octane-3,4,5-tricarboxylic acid::CHEMBL313232
SMILES: CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H](O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
InChI Key: InChIKey=YQJGFEMAMZRZOE-JVCNFDDISA-N
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 synthetase (Rattus norvegicus) | BDBM50037285![]() ((1S,3S,4S,5R,6R,7R)-6-((E)-(4S,6S)-4,6-Dimethyl-oc...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of Squalene synthase activity in juvenile male rat liver microsomes | Bioorg Med Chem Lett 3: 2527-2532 (1993) Article DOI: 10.1016/S0960-894X(01)80710-1 BindingDB Entry DOI: 10.7270/Q2HM58CM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Squalene synthetase (Rattus norvegicus) | BDBM50037285![]() ((1S,3S,4S,5R,6R,7R)-6-((E)-(4S,6S)-4,6-Dimethyl-oc...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research and Development Ltd. Curated by ChEMBL | Assay Description Inhibition of juvenile male rat liver microsomal squalene synthase | J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633 | |||||||||||
More data for this Ligand-Target Pair |