Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM50271003
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:
BDBM50271003
Synonyms:
CHEMBL4126181
Type:
Small organic molecule
Emp. Form.:
C22H34N4O
Mol. Mass.:
370.5316
SMILES:
CCCCNc1cc(C(C)C)c(nn1)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:16:17:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.26:17,24:22:19:26.25.17,24:25:19:23.21.22,(2.85,-20.81,;4.18,-20.04,;5.51,-20.81,;6.85,-20.05,;8.18,-20.82,;9.52,-20.05,;9.52,-18.5,;10.85,-17.73,;10.84,-16.19,;12.17,-15.42,;9.51,-15.43,;12.18,-18.5,;12.19,-20.05,;10.85,-20.82,;13.51,-17.72,;13.51,-16.18,;14.85,-18.49,;16.18,-17.71,;17.49,-18.43,;18.02,-20.1,;18.39,-18.59,;19.56,-17.63,;18.94,-16.12,;18.56,-17.51,;17.62,-15.37,;16.43,-16.31,;16.99,-17.81,)|
Structure:
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