Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM50271001
Substrate
n/a
Meas. Tech.
ChEMBL_1709635 (CHEMBL4119684)
EC50
>10000±n/a nM
Citation
 Qian, HY; Wang, ZL; Xie, XY; Pan, YL; Li, GJ; Xie, X; Chen, JZ Developing pyridazine-3-carboxamides to be CB2 agonists: The design, synthesis, structure-activity relationships and docking studies. Eur J Med Chem 137:598-611 (2017) [PubMed]  Article 
Target
Name:
Cannabinoid receptor 1
Synonyms:
CANN6 | CANNABINOID CB1 | CB-R | CB1 | CNR | CNR1 | CNR1_HUMAN | Cannabinoid CB1 receptor | Cannabinoid receptor | Cannabinoid receptor 1 (CB1) | Cannabinoid receptor 1 (brain)
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
52868.96
Organism:
Homo sapiens (Human)
Description:
P21554
Residue:
472
Sequence:
MKSILDGLADTTFRTITTDLLYVGSNDIQYEDIKGDMASKLGYFPQKFPLTSFRGSPFQEKMTAGDNPQLVPADQVNITEFYNKSLSSFKENEENIQCGENFMDIECFMVLNPSQQLAIAVLSLTLGTFTVLENLLVLCVILHSRSLRCRPSYHFIGSLAVADLLGSVIFVYSFIDFHVFHRKDSRNVFLFKLGGVTASFTASVGSLFLTAIDRYISIHRPLAYKRIVTRPKAVVAFCLMWTIAIVIAVLPLLGWNCEKLQSVCSDIFPHIDETYLMFWIGVTSVLLLFIVYAYMYILWKAHSHAVRMIQRGTQKSIIIHTSEDGKVQVTRPDQARMDIRLAKTLVLILVVLIICWGPLLAIMVYDVFGKMNKLIKTVFAFCSMLCLLNSTVNPIIYALRSKDLRHAFRSMFPSCEGTAQPLDNSMGDSDCLHKHANNAASVHRAAESCIKSTVKIAKVTMSVSTDTSAEAL
  
Inhibitor
Name:
BDBM50271001
Synonyms:
CHEMBL4129719
Type:
Small organic molecule
Emp. Form.:
C23H34N4O
Mol. Mass.:
382.5423
SMILES:
CC(C)c1cc(nnc1C(=O)NC1C2CC3CC(C2)CC1C3)N1CCCCC1 |TLB:21:20:18:14.15.16,THB:11:12:18:14.15.16,21:15:12.20.19:18,16:15:12:19.17.18,16:17:12:14.21.15,(32.29,-20.59,;30.95,-21.36,;29.62,-20.6,;30.96,-22.9,;29.63,-23.68,;29.63,-25.22,;30.96,-25.99,;32.3,-25.22,;32.29,-23.67,;33.63,-22.89,;33.62,-21.35,;34.96,-23.66,;36.3,-22.88,;37.5,-21.61,;38.82,-22.09,;40.22,-21.74,;40.23,-20.22,;38.83,-19.64,;37.48,-20.12,;37.79,-20.87,;37.8,-22.46,;39.2,-23.02,;28.29,-25.99,;26.97,-25.21,;25.64,-25.97,;25.63,-27.51,;26.96,-28.29,;28.3,-27.52,)|
Structure:
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