Reaction Details Report a problem with these data
Target
Cannabinoid receptor 2
Ligand
BDBM50074311
Substrate
n/a
Meas. Tech.
ChEMBL_47004 (CHEMBL657998)
Ki
577±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 2
Synonyms:
CANNABINOID CB2 | CB-2 | CB2 | CNR2_MOUSE | Cannabinoid CB2 receptor | Cannabinoid receptor | Cannabinoid receptor 2 | Cnr2 | mCB2
Type:
Enzyme Catalytic Domain
Mol. Mass.:
38220.43
Organism:
MOUSE
Description:
P47936
Residue:
347
Sequence:
MEGCRETEVTNGSNGGLEFNPMKEYMILSSGQQIAVAVLCTLMGLLSALENMAVLYIILSSRRLRRKPSYLFISSLAGADFLASVIFACNFVIFHVFHGVDSNAIFLLKIGSVTMTFTASVGSLLLTAVDRYLCLCYPPTYKALVTRGRALVALCVMWVLSALISYLPLMGWTCCPSPCSELFPLIPNDYLLGWLLFIAILFSGIIYTYGYVLWKAHRHVATLAEHQDRQVPGIARMRLDVRLAKTLGLVLAVLLICWFPALALMGHSLVTTLSDQVKEAFAFCSMLCLVNSMVNPIIYALRSGEIRSAAQHCLIGWKKYLQGLGPEGKEEGPRSSVTETEADVKTT
  
Inhibitor
Name:
BDBM50074311
Synonyms:
1-(2,4-Dichloro-phenyl)-5-(2-iodo-phenyl)-4-methyl-1H-pyrazole-3-carboxylic acid piperidin-1-ylamide | CHEMBL165134
Type:
Small organic molecule
Emp. Form.:
C22H21Cl2IN4O
Mol. Mass.:
555.239
SMILES:
Cc1c(nn(c1-c1ccccc1I)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 |(2.9,-5.18,;3.85,-6.4,;5.39,-6.33,;5.92,-7.78,;4.7,-8.74,;3.41,-7.87,;1.97,-8.41,;1.73,-9.93,;.29,-10.44,;-.9,-9.47,;-.64,-7.94,;.8,-7.42,;1.07,-5.91,;4.76,-10.28,;3.47,-11.08,;3.51,-12.62,;4.88,-13.35,;4.92,-14.89,;6.17,-12.53,;6.11,-10.99,;7.42,-10.17,;6.24,-5.05,;5.56,-3.67,;7.78,-5.17,;8.64,-3.88,;10.17,-3.99,;11.02,-2.73,;10.37,-1.33,;8.83,-1.23,;7.96,-2.51,)|
Structure:
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