Reaction Details Report a problem with these data
Target
Cannabinoid receptor 2
Ligand
BDBM50395167
Substrate
n/a
Meas. Tech.
ChEMBL_859793 (CHEMBL2169621)
Ki
16.1±n/a nM
Citation
 Baraldi, PG; Saponaro, G; Moorman, AR; Romagnoli, R; Preti, D; Baraldi, S; Ruggiero, E; Varani, K; Targa, M; Vincenzi, F; Borea, PA; Aghazadeh Tabrizi, M 7-Oxo-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxamides as selective CB(2) cannabinoid receptor ligands: structural investigations around a novel class of full agonists. J Med Chem 55:6608-23 (2012) [PubMed]  Article 
Target
Name:
Cannabinoid receptor 2
Synonyms:
CANNABINOID CB2 | CB-2 | CB2 | CNR2_RAT | Cannabinoid CB2 receptor | Cannabinoid receptor | Cnr2 | rCB2
Type:
Enzyme
Mol. Mass.:
39366.68
Organism:
Rattus norvegicus (Rat)
Description:
Q9QZN9
Residue:
360
Sequence:
MAGCRELELTNGSNGGLEFNPMKEYMILSDAQQIAVAVLCTLMGLLSALENVAVLYLILSSQRLRRKPSYLFIGSLAGADFLASVIFACNFVIFHVFHGVDSRNIFLLKIGSVTMTFTASVGSLLLTAVDRYLCLCYPPTYKALVTRGRALVALGVMWVLSALISYLPLMGWTCCPSPCSELFPLIPNDYLLGWLLFIAILFSGIIYTYGYVLWKAHQHVASLAEHQDRQVPGIARMRLDVRLAKTLGLVMAVLLICWFPALALMGHSLVTTLSDKVKEAFAFCSMLCLVNSMINPIIYALRSGEIRSAAQHCLTGWKKYLQGLGSEGKEEAPKSSVTETEAEVKTTTGPGSRTPGCSNC
  
Inhibitor
Name:
BDBM50395167
Synonyms:
CHEMBL2163930
Type:
Small organic molecule
Emp. Form.:
C24H28N2O3
Mol. Mass.:
392.4907
SMILES:
CCC1COc2cccc3c2n1cc(C(=O)NC1C2CC4CC(C2)CC1C4)c3=O |TLB:26:25:23:19.20.21,THB:26:20:17.25.24:23,16:17:23:19.20.21,21:20:17:24.22.23,21:22:17:19.26.20,(22.66,-38.66,;22.67,-37.12,;21.34,-36.34,;20.01,-37.1,;18.68,-36.32,;18.69,-34.79,;17.36,-34.02,;17.36,-32.48,;18.69,-31.71,;20.03,-32.47,;20.03,-34.03,;21.36,-34.8,;22.72,-34.03,;22.72,-32.47,;24.06,-31.71,;24.06,-30.17,;25.39,-32.48,;26.73,-31.71,;27.92,-30.44,;29.25,-30.93,;30.65,-30.58,;30.66,-29.05,;29.26,-28.47,;27.92,-28.95,;28.22,-29.7,;28.23,-31.29,;29.64,-31.86,;21.37,-31.69,;21.37,-30.15,)|
Structure:
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