Reaction Details Report a problem with these data
Target
Squalene monooxygenase
Ligand
BDBM50032853
Substrate
n/a
Meas. Tech.
ChEMBL_201941 (CHEMBL809128)
IC50
30±n/a nM
Citation
 Gotteland, JP; Brunel, I; Gendre, F; Désiré, J; Delhon, A; Junquéro, D; Oms, P; Halazy, S (Aryloxy)methylsilane derivatives as new cholesterol biosynthesis inhibitors: synthesis and hypocholesterolemic activity of a new class of squalene epoxidase inhibitors. J Med Chem 38:3207-16 (1995) [PubMed]  Article 
Target
Name:
Squalene monooxygenase
Synonyms:
ERG1 | ERG1_HUMAN | SE | SQLE | Squalene epoxidase
Type:
PROTEIN
Mol. Mass.:
63936.94
Organism:
Homo sapiens (Human)
Description:
ChEMBL_201924
Residue:
574
Sequence:
MWTFLGIATFTYFYKKFGDFITLANREVLLCVLVFLSLGLVLSYRCRHRNGGLLGRQQSGSQFALFSDILSGLPFIGFFWAKSPPESENKEQLEARRRRKGTNISETSLIGTAACTSTSSQNDPEVIIVGAGVLGSALAAVLSRDGRKVTVIERDLKEPDRIVGEFLQPGGYHVLKDLGLGDTVEGLDAQVVNGYMIHDQESKSEVQIPYPLSENNQVQSGRAFHHGRFIMSLRKAAMAEPNAKFIEGVVLQLLEEDDVVMGVQYKDKETGDIKELHAPLTVVADGLFSKFRKSLVSNKVSVSSHFVGFLMKNAPQFKANHAELILANPSPVLIYQISSSETRVLVDIRGEMPRNLREYMVEKIYPQIPDHLKEPFLEATDNSHLRSMPASFLPPSSVKKRGVLLLGDAYNMRHPLTGGGMTVAFKDIKLWRKLLKGIPDLYDDAAIFEAKKSFYWARKTSHSFVVNILAQALYELFSATDDSLHQLRKACFLYFKLGGECVAGPVGLLSVLSPNPLVLIGHFFAVAIYAVYFCFKSEPWITKPRALLSSGAVLYKACSVIFPLIYSEMKYMVH
  
Inhibitor
Name:
BDBM50032853
Synonyms:
2-[(3-{[((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-ethyl-amino]-methyl}-phenoxymethyl)-dimethyl-silanyl]-benzonitrile | CHEMBL107546
Type:
Small organic molecule
Emp. Form.:
C28H36N2OSi
Mol. Mass.:
444.6837
SMILES:
CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccccc2C#N)c1
Structure:
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