Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM50325216
Substrate
n/a
Meas. Tech.
ChEMBL_651838 (CHEMBL1227203)
IC50
2.91±n/a nM
Citation
Lee, J; Seo, HJ; Lee, SH; Kim, J; Jung, ME; Lee, SH; Song, KS; Lee, J; Kang, SY; Kim, MJ; Kim, MS; Son, EJ; Lee, M; Han, HK Discovery of 2-(4-((1H-1,2,4-triazol-1-yl)methyl)-5-(4-bromophenyl)-1-(2-chlorophenyl)-1H-pyrazol-3-yl)-5-tert-butyl-1,3,4-thiadiazole (GCC2680) as a potent, selective and orally efficacious cannabinoid-1 receptor antagonist. Bioorg Med Chem 18:6377-88 (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:
BDBM50325216
Synonyms:
2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-1H-pyrazol-3-yl)-5-(1-methylcyclopropyl)-1,3,4-thiadiazole | CHEMBL1223035
Type:
Small organic molecule
Emp. Form.:
C24H18BrCl2N7S
Mol. Mass.:
587.322
SMILES:
CC1(CC1)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl