Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM50305435
Substrate
n/a
Meas. Tech.
ChEMBL_606748 (CHEMBL1065338)
IC50
3±n/a nM
Citation
 Receveur, JM; Murray, A; Linget, JM; Nørregaard, PK; Cooper, M; Bjurling, E; Nielsen, PA; Högberg, T Conversion of 4-cyanomethyl-pyrazole-3-carboxamides into CB1 antagonists with lowered propensity to pass the blood-brain-barrier. Bioorg Med Chem Lett 20:453-7 (2010) [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:
BDBM50305435
Synonyms:
2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-(4-fluorophenyl)-4-hydroxypiperidine-1-carbonyl)-1H-pyrazol-4-yl)acetonitrile | CHEMBL596377
Type:
Small organic molecule
Emp. Form.:
C29H23Cl2FN4O2
Mol. Mass.:
549.423
SMILES:
OC1(CCN(CC1)C(=O)c1nn(c(c1CC#N)-c1ccc(Cl)cc1)-c1ccccc1Cl)c1ccc(F)cc1
Structure:
Search PDB for entries with ligand similarity: