Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM50270996
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:
BDBM50270996
Synonyms:
CHEMBL4126855
Type:
Small organic molecule
Emp. Form.:
C23H34N4O
Mol. Mass.:
382.5423
SMILES:
CC(C)c1cc(nnc1N1CCCCC1)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:27:26:24:20.21.22,THB:17:18:24:20.21.22,27:21:18.26.25:24,22:21:18:25.23.24,22:23:18:20.27.21,(64.43,-32.5,;64.43,-34.04,;63.1,-34.81,;65.77,-34.81,;67.1,-34.04,;68.43,-34.8,;68.44,-36.35,;67.1,-37.12,;65.77,-36.35,;64.43,-37.12,;63.11,-36.34,;61.77,-37.1,;61.77,-38.64,;63.1,-39.42,;64.44,-38.65,;69.76,-34.02,;69.76,-32.48,;71.1,-34.79,;72.43,-34.02,;73.64,-32.74,;74.96,-33.22,;76.35,-32.88,;76.37,-31.35,;74.97,-30.78,;73.62,-31.25,;73.93,-32,;73.94,-33.6,;75.34,-34.15,)|
Structure:
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