Reaction Details Report a problem with these data
Target
Squalene monooxygenase
Ligand
BDBM50032850
Substrate
n/a
Meas. Tech.
ChEMBL_201941 (CHEMBL809128)
IC50
20±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:
BDBM50032850
Synonyms:
CHEMBL27885 | [3-([3,3']Bithiophenyl-5-ylmethoxy)-benzyl]-((E)-6,6-dimethyl-hept-2-en-4-ynyl)-ethyl-amine
Type:
Small organic molecule
Emp. Form.:
C27H31NOS2
Mol. Mass.:
449.671
SMILES:
CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCc2cc(cs2)-c2ccsc2)c1
Structure:
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