Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM50325889
Substrate
n/a
Meas. Tech.
ChEMBL_652678 (CHEMBL1225881)
IC50
45±n/a nM
Citation
 Letourneau, JJ; Jokiel, P; Olson, J; Riviello, CM; Ho, KK; McAleer, L; Yang, J; Swanson, RN; Baker, J; Cowley, P; Edwards, D; Ward, N; Ohlmeyer, MH; Webb, ML Identification and hit-to-lead optimization of a novel class of CB1 antagonists. Bioorg Med Chem Lett 20:5449-53 (2010) [PubMed]  Article 
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:
BDBM50325889
Synonyms:
CHEMBL1224535 | N-(1-((6-(4-fluoro-2-methoxyphenyl)pyridin-2-yl)methyl)-1H-indol-6-yl)-3-hydroxy-2,2-dimethylpropanamide
Type:
Small organic molecule
Emp. Form.:
C26H26FN3O3
Mol. Mass.:
447.5013
SMILES:
COc1cc(F)ccc1-c1cccc(Cn2ccc3ccc(NC(=O)C(C)(C)CO)cc23)n1
Structure:
Search PDB for entries with ligand similarity: