Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM50316513
Substrate
n/a
Meas. Tech.
ChEMBL_630804 (CHEMBL1106559)
IC50
0.7±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 1
Synonyms:
Brain-type cannabinoid receptor | CANNABINOID CB1 | CB-R | CB1 | CNR1_RAT | Cannabinoid CB1 receptor | Cannabinoid receptor | Cannabinoid receptor 1 (CB1) | Cnr1 | Skr6
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
52856.55
Organism:
Rattus norvegicus (rat)
Description:
P20272
Residue:
473
Sequence:
MKSILDGLADTTFRTITTDLLYVGSNDIQYEDIKGDMASKLGYFPQKFPLTSFRGSPFQEKMTAGDNSPLVPAGDTTNITEFYNKSLSSFKENEENIQCGENFMDMECFMILNPSQQLAIAVLSLTLGTFTVLENLLVLCVILHSRSLRCRPSYHFIGSLAVADLLGSVIFVYSFVDFHVFHRKDSPNVFLFKLGGVTASFTASVGSLFLTAIDRYISIHRPLAYKRIVTRPKAVVAFCLMWTIAIVIAVLPLLGWNCKKLQSVCSDIFPLIDETYLMFWIGVTSVLLLFIVYAYMYILWKAHSHAVRMIQRGTQKSIIIHTSEDGKVQVTRPDQARMDIRLAKTLVLILVVLIICWGPLLAIMVYDVFGKMNKLIKTVFAFCSMLCLLNSTVNPIIYALRSKDLRHAFRSMFPSCEGTAQPLDNSMGDSDCLHKHANNTASMHRAAESCIKSTVKIAKVTMSVSTDTSAEAL
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|