Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM50259492
Substrate
n/a
Meas. Tech.
ChEMBL_500188 (CHEMBL980655)
IC50
1.1±n/a nM
Citation
 Debenham, JS; Madsen-Duggan, CB; Wang, J; Tong, X; Lao, J; Fong, TM; Schaeffer, MT; Xiao, JC; Huang, CC; Shen, CP; Sloan Stribling, D; Shearman, LP; Strack, AM; Euan Macintyre, D; Hale, JJ; Walsh, TF Pyridopyrimidine based cannabinoid-1 receptor inverse agonists: Synthesis and biological evaluation. Bioorg Med Chem Lett 19:2591-4 (2009) [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:
BDBM50259492
Synonyms:
5-tert-butyl-8-(2-chlorophenyl)-9-(4-(trifluoromethyl)phenyl)pyrido[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one | CHEMBL467914
Type:
Small organic molecule
Emp. Form.:
C25H19ClF3N5O
Mol. Mass.:
497.899
SMILES:
CC(C)(C)c1nc2nc(-c3ccccc3Cl)c(cc2c2n[nH]c(=O)n12)-c1ccc(cc1)C(F)(F)F
Structure:
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