Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM50271004
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:
BDBM50271004
Synonyms:
CHEMBL4129072
Type:
Small organic molecule
Emp. Form.:
C23H34N4O
Mol. Mass.:
382.5423
SMILES:
CC(C)c1cc(NC2CCCC2)nnc1C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:17:18:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.27:18,25:23:20:27.26.18,25:26:20:24.22.23,(11.82,-4.06,;10.49,-4.84,;9.16,-4.07,;10.5,-6.38,;9.17,-7.15,;9.16,-8.69,;7.83,-9.46,;6.5,-8.69,;6.34,-7.15,;4.84,-6.83,;4.07,-8.16,;5.1,-9.31,;10.5,-9.46,;11.84,-8.69,;11.83,-7.14,;13.16,-6.37,;13.16,-4.83,;14.5,-7.13,;15.83,-6.36,;17.14,-7.07,;17.67,-8.75,;18.04,-7.23,;19.21,-6.28,;18.59,-4.77,;18.21,-6.15,;17.27,-4.02,;16.08,-4.95,;16.64,-6.46,)|
Structure:
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