Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM50270995
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:
BDBM50270995
Synonyms:
CHEMBL4127293
Type:
Small organic molecule
Emp. Form.:
C24H36N4O
Mol. Mass.:
396.5688
SMILES:
CC(C)c1cc(nnc1NC1CCCCC1)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:28:27:25:21.22.23,THB:18:19:25:21.22.23,28:22:19.27.26:25,23:22:19:26.24.25,23:24:19:21.28.22,(7.77,-4.05,;7.77,-5.59,;6.44,-6.36,;9.11,-6.36,;10.43,-5.59,;11.77,-6.36,;11.77,-7.91,;10.44,-8.68,;9.1,-7.91,;7.77,-8.68,;7.77,-10.22,;6.43,-10.98,;6.43,-12.52,;7.76,-13.29,;9.1,-12.53,;9.1,-10.98,;13.1,-5.58,;13.09,-4.04,;14.44,-6.35,;15.77,-5.57,;16.98,-4.3,;18.3,-4.78,;19.69,-4.43,;19.7,-2.91,;18.31,-2.33,;16.96,-2.8,;17.27,-3.56,;17.27,-5.15,;18.68,-5.71,)|
Structure:
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