Reaction Details Report a problem with these data
Target
Squalene synthase
Ligand
BDBM50339916
Substrate
n/a
Meas. Tech.
ChEMBL_740875 (CHEMBL1763976)
IC50
370±n/a nM
Citation
 Griebenow, N; Flessner, T; Buchmueller, A; Raabe, M; Bischoff, H; Kolkhof, P Identification and optimization of tetrahydro-2H-3-benzazepin-2-ones as squalene synthase inhibitors. Bioorg Med Chem Lett 21:2554-8 (2011) [PubMed]  Article 
Target
Name:
Squalene synthase
Synonyms:
FDFT1 | FDFT_HUMAN | FPP:FPP farnesyltransferase | Farnesyl-diphosphate farnesyltransferase | SQS | SS | Squalene synthetase
Type:
PROTEIN
Mol. Mass.:
48114.76
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1352847
Residue:
417
Sequence:
MEFVKCLGHPEEFYNLVRFRIGGKRKVMPKMDQDSLSSSLKTCYKYLNQTSRSFAAVIQALDGEMRNAVCIFYLVLRALDTLEDDMTISVEKKVPLLHNFHSFLYQPDWRFMESKEKDRQVLEDFPTISLEFRNLAEKYQTVIADICRRMGIGMAEFLDKHVTSEQEWDKYCHYVAGLVGIGLSRLFSASEFEDPLVGEDTERANSMGLFLQKTNIIRDYLEDQQGGREFWPQEVWSRYVKKLGDFAKPENIDLAVQCLNELITNALHHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNQQVFKGAVKIRKGQAVTLMMDATNMPAVKAIIYQYMEEIYHRIPDSDPSSSKTRQIISTIRTQNLPNCQLISRSHYSPIYLSFVMLLAALSWQYLTTLSQVTEDYVQTGEH
  
Inhibitor
Name:
BDBM50339916
Synonyms:
CHEMBL1761660 | trans-rac-7-chloro-1-isobutyl-5-(2-methoxyphenyl)-3-(2-oxo-2-(piperidin-1-yl)ethyl)-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one
Type:
Small organic molecule
Emp. Form.:
C28H35ClN2O3
Mol. Mass.:
483.042
SMILES:
COc1ccccc1[C@H]1CN(CC(=O)N2CCCCC2)C(=O)[C@H](CC(C)C)c2ccc(Cl)cc12 |r|
Structure:
Search PDB for entries with ligand similarity: