Reaction Details Report a problem with these data
Target
Cannabinoid receptor 2
Ligand
BDBM50298949
Substrate
n/a
Meas. Tech.
ChEMBL_588142 (CHEMBL1049259)
Ki
80±n/a nM
Citation
 Silvestri, R; Ligresti, A; La Regina, G; Piscitelli, F; Gatti, V; Brizzi, A; Pasquini, S; Lavecchia, A; Allarà, M; Fantini, N; Carai, MA; Novellino, E; Colombo, G; Di Marzo, V; Corelli, F Synthesis, cannabinoid receptor affinity, molecular modeling studies and in vivo pharmacological evaluation of new substituted 1-aryl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamides. 2. Effect of the 3-carboxamide substituent on the affinity and selectivity profile. Bioorg Med Chem 17:5549-64 (2009) [PubMed]  Article 
Target
Name:
Cannabinoid receptor 2
Synonyms:
CANNABINOID CB2 | CB-2 | CB2 | CB2A | CB2B | CNR2 | CNR2_HUMAN | CX5 | Cannabinoid CB2 receptor | Cannabinoid receptor 2 (CB2) | Cannabinoid receptor 2 (CB2R) | hCB2
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
39690.94
Organism:
Homo sapiens (Human)
Description:
P34972
Residue:
360
Sequence:
MEECWVTEIANGSKDGLDSNPMKDYMILSGPQKTAVAVLCTLLGLLSALENVAVLYLILSSHQLRRKPSYLFIGSLAGADFLASVVFACSFVNFHVFHGVDSKAVFLLKIGSVTMTFTASVGSLLLTAIDRYLCLRYPPSYKALLTRGRALVTLGIMWVLSALVSYLPLMGWTCCPRPCSELFPLIPNDYLLSWLLFIAFLFSGIIYTYGHVLWKAHQHVASLSGHQDRQVPGMARMRLDVRLAKTLGLVLAVLLICWFPVLALMAHSLATTLSDQVKKAFAFCSMLCLINSMVNPVIYALRSGEIRSSAHHCLAHWKKCVRGLGSEAKEEAPRSSVTETEADGKITPWPDSRDLDLSDC
  
Inhibitor
Name:
BDBM50298949
Synonyms:
CHEMBL574052 | N-Cycloheptyl-1-(2,4-dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methyl-1H-pyrazole-3-carboxamide
Type:
Small organic molecule
Emp. Form.:
C24H28Cl2N4O
Mol. Mass.:
459.411
SMILES:
Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCCC1 |(18.91,-23.05,;19.79,-21.79,;21.33,-21.77,;21.79,-20.29,;20.53,-19.41,;20.5,-17.87,;19.3,-20.33,;17.83,-19.88,;17.33,-18.43,;18.22,-17.16,;15.79,-18.45,;15.34,-19.92,;16.59,-20.8,;16.62,-22.34,;17.96,-23.1,;17.98,-24.63,;16.66,-25.42,;16.69,-26.96,;15.32,-24.67,;15.3,-23.13,;13.95,-22.38,;14.87,-17.22,;15.47,-15.8,;13.34,-17.4,;12.39,-16.16,;10.91,-16.47,;9.74,-15.47,;9.78,-13.94,;11.01,-13.02,;12.5,-13.39,;13.15,-14.81,)|
Structure:
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