Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetStearoyl-CoA desaturase
LigandBDBM50267923
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1704128 (CHEMBL4055361)
IC50 21±n/a nM
Citation Imamura, KTomita, NKawakita, YIto, YOno, KNii, NMiyazaki, TYonemori, KTawada, MSumi, HSatoh, YYamamoto, YMiyahisa, ISasaki, MSatomi, YHirayama, MNishigaki, RMaezaki, H Discovery of Novel and Potent Stearoyl Coenzyme A Desaturase 1 (SCD1) Inhibitors as Anticancer Agents. Bioorg Med Chem25:3768-3779 (2017) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Stearoyl-CoA desaturase
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:
MPAHLLQDDISSSYTTTTTITAPPSRVLQNGGDKLETMPLYLEDDIRPDIKDDIYDPTYK
DKEGPSPKVEYVWRNIILMSLLHLGALYGITLIPTCKFYTWLWGVFYYFVSALGITAGAH
RLWSHRSYKARLPLRLFLIIANTMAFQNDVYEWARDHRAHHKFSETHADPHNSRRGFFFS
HVGWLLVRKHPAVKEKGSTLDLSDLEAEKLVMFQRRYYKPGLLMMCFILPTLVPWYFWGE
TFQNSVFVATFLRYAVVLNATWLVNSAAHLFGYRPYDKNISPRENILVSLGAVGEGFHNY
HHSFPYDYSASEYRWHINFTTFFIDCMAALGLAYDRKKVSKAAILARIKRTGDGNYKSG
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50267923
n/a
NameBDBM50267923
Synonyms:CHEMBL4071569
TypeSmall organic molecule
Emp. Form.C23H26N6O2
Mol. Mass.418.4915
SMILESCC(C)(C)c1ccc(cc1)C1(CCN(CC1)c1ccc(nn1)-c1nc(CO)no1)C#N
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: