Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM50095847
Substrate
n/a
Meas. Tech.
ChEMBL_1502229 (CHEMBL3591165)
EC50
>10000±n/a nM
Citation
 Han, S; Zhang, FF; Qian, HY; Chen, LL; Pu, JB; Xie, X; Chen, JZ Development of Quinoline-2,4(1H,3H)-diones as Potent and Selective Ligands of the Cannabinoid Type 2 Receptor. J Med Chem 58:5751-69 (2015) [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:
BDBM50095847
Synonyms:
CHEMBL3590627
Type:
Small organic molecule
Emp. Form.:
C21H28N2O3
Mol. Mass.:
356.4586
SMILES:
CCCCN1C(=O)\C(=C\N[C@H]2CC[C@H](O)CC2)C(=O)c2cccc(C)c12 |r,wU:10.9,wD:13.13,(3.74,-6,;2.67,-5.39,;2.67,-3.85,;1.33,-3.08,;1.33,-1.54,;2.66,-.77,;3.73,-1.38,;2.66,.77,;3.99,1.54,;3.99,3.08,;5.33,3.86,;5.33,5.4,;6.66,6.17,;7.99,5.4,;9.06,6.01,;7.99,3.86,;6.66,3.09,;1.33,1.54,;1.33,2.77,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;-1.33,-2.77,;,-.77,)|
Structure:
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