Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM50217220
Substrate
n/a
Meas. Tech.
ChEMBL_440533 (CHEMBL889632)
IC50
0.47±n/a nM
Citation
Liu, P; Lin, LS; Hamill, TG; Jewell, JP; Lanza, TJ; Gibson, RE; Krause, SM; Ryan, C; Eng, W; Sanabria, S; Tong, X; Wang, J; Levorse, DA; Owens, KA; Fong, TM; Shen, CP; Lao, J; Kumar, S; Yin, W; Payack, JF; Springfield, SA; Hargreaves, R; Burns, HD; Goulet, MT; Hagmann, WK Discovery of N-{(1S,2S)-2-(3-cyanophenyl)- 3-[4-(2-[18F]fluoroethoxy)phenyl]-1-methylpropyl}- 2-methyl-2-[(5-methylpyridin-2-yl)oxy]propanamide, a cannabinoid-1 receptor positron emission tomography tracer suitable for clinical use. J Med Chem 50:3427-30 (2007) [PubMed] Article
More Info.:
Target
Name:
Cannabinoid receptor 1
Synonyms:
CANN6 | CANNABINOID CB1 | CB-R | CB1 | CNR | CNR1 | CNR1_HUMAN | Cannabinoid CB1 receptor | Cannabinoid receptor | Cannabinoid receptor 1 (CB1) | Cannabinoid receptor 1 (brain)
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
52868.96
Organism:
Homo sapiens (Human)
Description:
P21554
Residue:
472
Sequence:
MKSILDGLADTTFRTITTDLLYVGSNDIQYEDIKGDMASKLGYFPQKFPLTSFRGSPFQEKMTAGDNPQLVPADQVNITEFYNKSLSSFKENEENIQCGENFMDIECFMVLNPSQQLAIAVLSLTLGTFTVLENLLVLCVILHSRSLRCRPSYHFIGSLAVADLLGSVIFVYSFIDFHVFHRKDSRNVFLFKLGGVTASFTASVGSLFLTAIDRYISIHRPLAYKRIVTRPKAVVAFCLMWTIAIVIAVLPLLGWNCEKLQSVCSDIFPHIDETYLMFWIGVTSVLLLFIVYAYMYILWKAHSHAVRMIQRGTQKSIIIHTSEDGKVQVTRPDQARMDIRLAKTLVLILVVLIICWGPLLAIMVYDVFGKMNKLIKTVFAFCSMLCLLNSTVNPIIYALRSKDLRHAFRSMFPSCEGTAQPLDNSMGDSDCLHKHANNAASVHRAAESCIKSTVKIAKVTMSVSTDTSAEAL
Inhibitor
Name:
BDBM50217220
Synonyms:
CHEMBL226590 | N-{(1S,2S)-2-(3-cyanophenyl)-3-[4-(2-fluoroethoxy)phenyl)]-1-methylpropyl}-2-methyl-2-[(4-methylpyridin-2-yl)oxy]propanamide
Type:
Small organic molecule
Emp. Form.:
C29H32FN3O3
Mol. Mass.:
489.5811
SMILES:
C[C@H](NC(=O)C(C)(C)Oc1cc(C)ccn1)[C@@H](Cc1ccc(OCCF)cc1)c1cccc(c1)C#N