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Target
Stearoyl-CoA desaturase
Ligand
BDBM50429981
Substrate
n/a
Meas. Tech.
ChEMBL_945806 (CHEMBL2339153)
IC50
313±n/a nM
Citation
 Matter, H; Zoller, G; Herling, AW; Sanchez-Arias, JA; Philippo, C; Namane, C; Kohlmann, M; Pfenninger, A; Voss, MD Benzimidazole-carboxamides as potent and bioavailable stearoyl-CoA desaturase (SCD1) inhibitors from ligand-based virtual screening and chemical optimization. Bioorg Med Chem Lett 23:1817-22 (2013) [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:
BDBM50429981
Synonyms:
CHEMBL2334635
Type:
Small organic molecule
Emp. Form.:
C25H17F3N4O2S
Mol. Mass.:
494.488
SMILES:
FC(F)(F)c1ccccc1Oc1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(=O)NCc1nccs1
Structure:
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