Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM50062501
Substrate
n/a
Meas. Tech.
ChEMBL_1462819 (CHEMBL3399658)
Ki
1090±n/a nM
Citation
 Bertini, S; Parkkari, T; Savinainen, JR; Arena, C; Saccomanni, G; Saguto, S; Ligresti, A; Allarà, M; Bruno, A; Marinelli, L; Di Marzo, V; Novellino, E; Manera, C; Macchia, M Synthesis, biological activity and molecular modeling of new biphenylic carboxamides as potent and selective CB2 receptor ligands. Eur J Med Chem 90:526-36 (2015) [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:
BDBM50062501
Synonyms:
CHEMBL3397450
Type:
Small organic molecule
Emp. Form.:
C22H27NO2
Mol. Mass.:
337.4553
SMILES:
COc1c(C)cc(cc1C(=O)N[C@@H]1CC[C@H](C)CC1)-c1ccccc1 |r,wD:12.12,15.16,(-7.74,3.22,;-6.68,3.84,;-5.34,3.08,;-4.01,3.85,;-4.01,5.08,;-2.67,3.08,;-2.67,1.54,;-4,.77,;-5.34,1.54,;-6.67,.76,;-7.74,1.37,;-6.66,-.78,;-7.99,-1.56,;-7.99,-3.1,;-9.32,-3.87,;-10.66,-3.1,;-11.72,-3.72,;-10.66,-1.56,;-9.33,-.79,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,)|
Structure:
Search PDB for entries with ligand similarity: