Reaction Details Report a problem with these data
Target
Cannabinoid receptor 2
Ligand
BDBM50316513
Substrate
n/a
Meas. Tech.
ChEMBL_630805 (CHEMBL1106560)
IC50
1500±n/a nM
Citation
Yan, L; Huo, P; Debenham, JS; Madsen-Duggan, CB; Lao, J; Chen, RZ; Xiao, JC; Shen, CP; Stribling, DS; Shearman, LP; Strack, AM; Tsou, N; Ball, RG; Wang, J; Tong, X; Bateman, TJ; Reddy, VB; Fong, TM; Hale, JJ Discovery of N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl]-5-methyl-1H-pyrazole-3-carboxamide (MK-5596) as a novel cannabinoid-1 receptor (CB1R) inverse agonist for the treatment of obesity. J Med Chem 53:4028-37 (2010) [PubMed] Article
More Info.:
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:
BDBM50316513
Synonyms:
CHEMBL1096182 | N-((4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)-5-methyl-1H-pyrazole-3-carboxamide
Type:
Small organic molecule
Emp. Form.:
C27H23Cl3N4O2
Mol. Mass.:
541.856
SMILES:
Cc1cc([nH]n1)C(=O)N[C@@H]1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 |r|