Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM50074317
Substrate
n/a
Meas. Tech.
ChEMBL_46641 (CHEMBL658897)
Ki
255±n/a nM
Citation
 Lan, R; Liu, Q; Fan, P; Lin, S; Fernando, SR; McCallion, D; Pertwee, R; Makriyannis, A Structure-activity relationships of pyrazole derivatives as cannabinoid receptor antagonists. J Med Chem 42:769-76 (1999) [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:
BDBM50074317
Synonyms:
1-(2,4-Dichloro-phenyl)-4-methyl-5-(2-nitro-phenyl)-1H-pyrazole-3-carboxylic acid piperidin-1-ylamide | CHEMBL349513
Type:
Small organic molecule
Emp. Form.:
C22H21Cl2N5O3
Mol. Mass.:
474.34
SMILES:
Cc1c(nn(c1-c1ccccc1[N+]([O-])=O)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 |(2.64,-7.18,;3.6,-8.38,;5.14,-8.34,;5.68,-9.78,;4.46,-10.72,;3.18,-9.88,;1.73,-10.4,;1.49,-11.91,;.04,-12.44,;-1.14,-11.46,;-.89,-9.94,;.56,-9.41,;-.22,-8.08,;-.25,-6.33,;-1.79,-8.09,;4.52,-12.26,;3.22,-13.09,;3.27,-14.6,;4.63,-15.34,;4.68,-16.88,;5.93,-14.53,;5.88,-12.99,;7.18,-12.17,;6,-7.06,;5.3,-5.68,;7.54,-7.16,;8.38,-5.88,;7.71,-4.5,;8.57,-3.22,;10.11,-3.34,;10.78,-4.73,;9.92,-6,)|
Structure:
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