Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM50309971
Substrate
n/a
Meas. Tech.
ChEMBL_612189 (CHEMBL1074127)
IC50
17.1±n/a nM
Citation
 Seo, HJ; Kim, MJ; Lee, SH; Lee, SH; Jung, ME; Kim, MS; Ahn, K; Kim, J; Lee, J Synthesis and structure-activity relationship of 1,2,4-triazole-containing diarylpyrazolyl carboxamide as CB1 cannabinoid receptor-ligand. Bioorg Med Chem 18:1149-62 (2010) [PubMed]  Article 
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:
BDBM50309971
Synonyms:
4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-((1S,4S)-4-methylcyclohexyl)-1H-pyrazole-3-carboxamide | CHEMBL604923
Type:
Small organic molecule
Emp. Form.:
C26H25Cl3N6O
Mol. Mass.:
543.875
SMILES:
C[C@H]1CC[C@H](CC1)NC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |r,wU:4.7,1.0,(6.47,-25.77,;4.93,-25.76,;4.15,-27.08,;2.62,-27.08,;1.86,-25.74,;2.62,-24.41,;4.17,-24.42,;.32,-25.74,;-.46,-24.41,;.31,-23.07,;-2,-24.42,;-2.9,-25.66,;-4.36,-25.2,;-4.37,-23.65,;-2.91,-23.17,;-2.3,-21.76,;-3.23,-20.52,;-4.77,-20.55,;-5.27,-19.09,;-4.04,-18.17,;-2.78,-19.06,;-5.71,-22.92,;-5.74,-21.37,;-7.09,-20.63,;-8.41,-21.43,;-9.76,-20.69,;-8.37,-22.98,;-7.02,-23.71,;-5.69,-25.98,;-7.03,-25.21,;-8.35,-25.98,;-8.36,-27.53,;-9.69,-28.3,;-7.02,-28.3,;-5.68,-27.53,;-4.35,-28.3,)|
Structure:
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