Reaction Details Report a problem with these data
Target
Stearoyl-CoA desaturase
Ligand
BDBM50467599
Substrate
n/a
Meas. Tech.
ChEMBL_1796483 (CHEMBL4268600)
IC50
2.8±n/a nM
Citation
 Iida, T; Ubukata, M; Mitani, I; Nakagawa, Y; Maeda, K; Imai, H; Ogoshi, Y; Hotta, T; Sakata, S; Sano, R; Morinaga, H; Negoro, T; Oshida, S; Tanaka, M; Inaba, T Discovery of potent liver-selective stearoyl-CoA desaturase-1 (SCD1) inhibitors, thiazole-4-acetic acid derivatives, for the treatment of diabetes, hepatic steatosis, and obesity. Eur J Med Chem 158:832-852 (2018) [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:
BDBM50467599
Synonyms:
CHEMBL4282070
Type:
Small organic molecule
Emp. Form.:
C19H16F3N3O2S
Mol. Mass.:
407.409
SMILES:
OCc1cnc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)cc2)s1
Structure:
Search PDB for entries with ligand similarity: