Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM50513125
Substrate
n/a
Meas. Tech.
ChEMBL_1852067 (CHEMBL4352691)
EC50
682±n/a nM
Citation
 Tseng, CC; Baillie, G; Donvito, G; Mustafa, MA; Juola, SE; Zanato, C; Massarenti, C; Dall'Angelo, S; Harrison, WTA; Lichtman, AH; Ross, RA; Zanda, M; Greig, IR The Trifluoromethyl Group as a Bioisosteric Replacement of the Aliphatic Nitro Group in CB J Med Chem 62:5049-5062 (2019) [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:
BDBM50513125
Synonyms:
CHEMBL4440510
Type:
Small organic molecule
Emp. Form.:
C23H18F3NO2S
Mol. Mass.:
429.455
SMILES:
COC(=O)c1ccc2c(C(CC(F)(F)F)c3cccs3)c([nH]c2c1)-c1ccccc1
Structure:
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