Reaction Details Report a problem with these data
Target
Stearoyl-CoA desaturase
Ligand
BDBM50338520
Substrate
n/a
Meas. Tech.
ChEMBL_728488 (CHEMBL1685365)
IC50
217±n/a nM
Citation
 Atkinson, KA; Beretta, EE; Brown, JA; Castrodad, M; Chen, Y; Cosgrove, JM; Du, P; Litchfield, J; Makowski, M; Martin, K; McLellan, TJ; Neagu, C; Perry, DA; Piotrowski, DW; Steppan, CM; Trilles, R N-benzylimidazole carboxamides as potent, orally active stearoylCoA desaturase-1 inhibitors. Bioorg Med Chem Lett 21:1621-5 (2011) [PubMed]  Article 
Target
Name:
Stearoyl-CoA desaturase
Synonyms:
Acyl-CoA desaturase | FADS5 | SCD | SCD1 | SCDOS | SCD_HUMAN | Stearoyl-CoA (SCD1) | Stearoyl-CoA desaturase 1
Type:
Enzyme
Mol. Mass.:
41537.27
Organism:
Homo sapiens (Human)
Description:
O00767
Residue:
359
Sequence:
MPAHLLQDDISSSYTTTTTITAPPSRVLQNGGDKLETMPLYLEDDIRPDIKDDIYDPTYKDKEGPSPKVEYVWRNIILMSLLHLGALYGITLIPTCKFYTWLWGVFYYFVSALGITAGAHRLWSHRSYKARLPLRLFLIIANTMAFQNDVYEWARDHRAHHKFSETHADPHNSRRGFFFSHVGWLLVRKHPAVKEKGSTLDLSDLEAEKLVMFQRRYYKPGLLMMCFILPTLVPWYFWGETFQNSVFVATFLRYAVVLNATWLVNSAAHLFGYRPYDKNISPRENILVSLGAVGEGFHNYHHSFPYDYSASEYRWHINFTTFFIDCMAALGLAYDRKKVSKAAILARIKRTGDGNYKSG
  
Inhibitor
Name:
BDBM50338520
Synonyms:
1-(4-chlorobenzyl)-N-(diaminomethylene)-5-methyl-1H-imidazole-4-carboxamide | CHEMBL1683575
Type:
Small organic molecule
Emp. Form.:
C13H14ClN5O
Mol. Mass.:
291.736
SMILES:
Cc1c(ncn1Cc1ccc(Cl)cc1)C(=O)NC(N)=N
Structure:
Search PDB for entries with ligand similarity: