Reaction Details Report a problem with these data
Target
Stearoyl-CoA desaturase
Ligand
BDBM50257808
Substrate
n/a
Meas. Tech.
ChEMBL_562452 (CHEMBL1010955)
IC50
15±n/a nM
Citation
 Koltun, DO; Parkhill, EQ; Vasilevich, NI; Glushkov, AI; Zilbershtein, TM; Ivanov, AV; Cole, AG; Henderson, I; Zautke, NA; Brunn, SA; Mollova, N; Leung, K; Chisholm, JW; Zablocki, J Novel, potent, selective, and metabolically stable stearoyl-CoA desaturase (SCD) inhibitors. Bioorg Med Chem Lett 19:2048-52 (2009) [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:
BDBM50257808
Synonyms:
CHEMBL495001 | N-(2-(6-(3,4-dichlorobenzylamino)-3-oxo-2-(pyridin-3-yl)pyrido[2,3-b]pyrazin-4(3H)-yl)ethyl)acetamide
Type:
Small organic molecule
Emp. Form.:
C23H20Cl2N6O2
Mol. Mass.:
483.35
SMILES:
CC(=O)NCCn1c2nc(NCc3ccc(Cl)c(Cl)c3)ccc2nc(-c2cccnc2)c1=O
Structure:
Search PDB for entries with ligand similarity: