Reaction Details  Report a problem with these data
Target
Stearoyl-CoA desaturase
Ligand
BDBM50330385
Substrate
n/a
Meas. Tech.
ChEMBL_683828 (CHEMBL1285219)
IC50
76±n/a nM
Citation
 Uto, Y; Ueno, Y; Kiyotsuka, Y; Miyazawa, Y; Kurata, H; Ogata, T; Yamada, M; Deguchi, T; Konishi, M; Takagi, T; Wakimoto, S; Ohsumi, J Synthesis and evaluation of novel stearoyl-CoA desaturase 1 inhibitors: 1'-{6-[5-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-yl]pyridazin-3-yl}-3,4-dihydrospiro[chromene-2,4'-piperidine] analogs. Eur J Med Chem 45:4788-96 (2010) [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:
BDBM50330385
Synonyms:
6-(3,4-Dihydro-1'H-spiro[chromene-2,4'-piperidin]-1'-yl)-N-(2-pyridin-3-ylethyl)pyridazine-3-carboxamide | CHEMBL1276721
Type:
Small organic molecule
Emp. Form.:
C24H25N5O2
Mol. Mass.:
415.4876
SMILES:
O=C(NCc1cccnc1)c1ccc(nn1)N1CCC2(CC1)CCc1ccccc1O2
Structure:
Search PDB for entries with ligand similarity: