Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM21258
Substrate
BDBM21244
Meas. Tech.
CB Receptor Binding Assay
pH
7.4±n/a
Temperature
303.15±n/a K
Ki
38±n/a nM
Citation
 Silvestri, R; Cascio, MG; La Regina, G; Piscitelli, F; Lavecchia, A; Brizzi, A; Pasquini, S; Botta, M; Novellino, E; Di Marzo, V; Corelli, F Synthesis, Cannabinoid Receptor Affinity, and Molecular Modeling Studies of Substituted 1-Aryl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamides. J Med Chem 51:1560-76 (2008) [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:
BDBM21258
Synonyms:
1-(2,4-dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide | Pyrazole-3-carboxamide analogue, 25
Type:
Small organic molecule
Emp. Form.:
C22H25Cl2N5O
Mol. Mass.:
446.373
SMILES:
Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 |(-5.72,5.81,;-5.72,4.27,;-6.96,3.36,;-6.49,1.9,;-4.95,1.9,;-4.04,.65,;-4.47,3.36,;-3.02,3.89,;-2.6,5.36,;-3.54,6.58,;-1.06,5.42,;-.53,3.97,;-1.75,3.02,;-1.75,1.48,;-3.08,.71,;-3.08,-.83,;-1.75,-1.6,;-1.75,-3.14,;-.42,-.83,;-.42,.71,;.92,1.48,;-.19,6.69,;-.87,8.08,;1.34,6.58,;2.21,7.85,;1.54,9.24,;2.41,10.51,;3.94,10.4,;4.61,9.01,;3.74,7.74,)|
Structure:
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Substrate
Name:
BDBM21244
Synonyms:
2-[(1S,2S,5S)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol | 3-(2-hydroxy-4-(1,1-dimethylheptyl)phenyl)-4-(3-hydroxypropyl)cyclohexanol | CP 55,940 | CP-55,940 | CP-56667 [(+)-AC],XV | [3H]-56 | [3H]CP55940
Type:
radiolabeled ligand
Emp. Form.:
C24H40O3
Mol. Mass.:
376.5726
SMILES:
CCCCCCC(C)(C)c1ccc([C@H]2C[C@@H](O)CC[C@@H]2CCCO)c(O)c1
Structure:
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