Reaction Details Report a problem with these data
Target
Stearoyl-CoA desaturase
Ligand
BDBM50306125
Substrate
n/a
Meas. Tech.
ChEMBL_606058 (CHEMBL1071957)
IC50
1±n/a nM
Citation
 Uto, Y; Kiyotsuka, Y; Ueno, Y; Miyazawa, Y; Kurata, H; Ogata, T; Deguchi, T; Yamada, M; Watanabe, N; Konishi, M; Kurikawa, N; Takagi, T; Wakimoto, S; Kono, K; Ohsumi, J Novel spiropiperidine-based stearoyl-CoA desaturase-1 inhibitors: Identification of 1'-{6-[5-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-yl]pyridazin-3-yl}-5-(trifluoromethyl)-3,4-dihydrospiro[chromene-2,4'-piperidine]. Bioorg Med Chem Lett 20:746-54 (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:
BDBM50306125
Synonyms:
CHEMBL595255 | N-(2-hydroxy-2-(pyridin-3-yl)ethyl)-6-(5-methylspiro[chroman-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide
Type:
Small organic molecule
Emp. Form.:
C26H29N5O3
Mol. Mass.:
459.5402
SMILES:
Cc1cccc2OC3(CCN(CC3)c3ccc(nn3)C(=O)NCC(O)c3cccnc3)CCc12
Structure:
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