Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM50271031
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:
BDBM50271031
Synonyms:
CHEMBL4127825
Type:
Small organic molecule
Emp. Form.:
C19H26N4O2
Mol. Mass.:
342.4353
SMILES:
O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(nn1)N1CCOCC1 |TLB:2:3:5:9.7.8,THB:7:6:3:9.8.10,7:8:5.6.12:3,10:8:5:12.11.3,10:11:5:9.7.8,(12.96,-24.64,;12.97,-26.18,;14.31,-26.94,;15.64,-26.17,;16.94,-26.9,;17.45,-28.56,;17.83,-27.06,;19.01,-26.1,;18.4,-24.6,;18.01,-25.98,;17.07,-23.83,;15.89,-24.77,;16.44,-26.28,;11.64,-26.95,;10.3,-26.19,;8.97,-26.96,;8.97,-28.5,;10.31,-29.27,;11.64,-28.5,;7.64,-29.27,;6.31,-28.5,;4.98,-29.26,;4.97,-30.8,;6.3,-31.58,;7.64,-30.81,)|
Structure:
Search PDB for entries with ligand similarity: