Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM50032541
Substrate
n/a
Meas. Tech.
ChEMBL_46820 (CHEMBL657224)
Ki
870964±n/a nM
Citation
 Shim, JY; Collantes, ER; Welsh, WJ; Subramaniam, B; Howlett, AC; Eissenstat, MA; Ward, SJ Three-dimensional quantitative structure-activity relationship study of the cannabimimetic (aminoalkyl)indoles using comparative molecular field analysis. J Med Chem 41:4521-32 (1998) [PubMed]  Article 
Target
Name:
Cannabinoid receptor 1
Synonyms:
Brain-type cannabinoid receptor | CANNABINOID CB1 | CB-R | CB1 | CNR1_RAT | Cannabinoid CB1 receptor | Cannabinoid receptor | Cannabinoid receptor 1 (CB1) | Cnr1 | Skr6
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
52856.55
Organism:
Rattus norvegicus (rat)
Description:
P20272
Residue:
473
Sequence:
MKSILDGLADTTFRTITTDLLYVGSNDIQYEDIKGDMASKLGYFPQKFPLTSFRGSPFQEKMTAGDNSPLVPAGDTTNITEFYNKSLSSFKENEENIQCGENFMDMECFMILNPSQQLAIAVLSLTLGTFTVLENLLVLCVILHSRSLRCRPSYHFIGSLAVADLLGSVIFVYSFVDFHVFHRKDSPNVFLFKLGGVTASFTASVGSLFLTAIDRYISIHRPLAYKRIVTRPKAVVAFCLMWTIAIVIAVLPLLGWNCKKLQSVCSDIFPLIDETYLMFWIGVTSVLLLFIVYAYMYILWKAHSHAVRMIQRGTQKSIIIHTSEDGKVQVTRPDQARMDIRLAKTLVLILVVLIICWGPLLAIMVYDVFGKMNKLIKTVFAFCSMLCLLNSTVNPIIYALRSKDLRHAFRSMFPSCEGTAQPLDNSMGDSDCLHKHANNTASMHRAAESCIKSTVKIAKVTMSVSTDTSAEAL
  
Inhibitor
Name:
BDBM50032541
Synonyms:
CHEMBL310751 | [6-Methoxy-2-methyl-1-(2-morpholin-4-yl-ethyl)-1H-indol-3-yl]-(4-methoxy-phenyl)-methanone
Type:
Small organic molecule
Emp. Form.:
C24H28N2O4
Mol. Mass.:
408.4901
SMILES:
COc1ccc(cc1)C(=O)c1c(C)n(CCN2CCOCC2)c2cc(OC)ccc12
Structure:
Search PDB for entries with ligand similarity: