Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM50607229
Substrate
n/a
Meas. Tech.
ChEMBL_2262381 (CHEMBL5217392)
EC50
0.430000±n/a nM
Citation
 Callis, TB; Garrett, TR; Montgomery, AP; Danon, JJ; Kassiou, M Recent Scaffold Hopping Applications in Central Nervous System Drug Discovery. J Med Chem 65:13483-13504 (2022) [PubMed] 
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:
BDBM50607229
Synonyms:
CHEMBL5219235
Type:
Small organic molecule
Emp. Form.:
C22H26FN3O
Mol. Mass.:
367.4597
SMILES:
CC(C)(NC(=O)c1nn(CCCCCF)c2ccccc12)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: