Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM50586517
Substrate
n/a
Meas. Tech.
ChEMBL_2169001 (CHEMBL5054060)
IC50
3900±n/a nM
Citation
 Hu, T; Zheng, G; Xue, D; Zhao, S; Li, F; Zhou, F; Zhao, F; Xie, L; Tian, C; Hua, T; Zhao, S; Xu, Y; Zhong, G; Liu, ZJ; Makriyannis, A; Stevens, RC; Tao, H Rational Remodeling of Atypical Scaffolds for the Design of Photoswitchable Cannabinoid Receptor Tools. J Med Chem 64:13752-13765 (2021) [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:
BDBM50586517
Synonyms:
CHEMBL5093760
Type:
Small organic molecule
Emp. Form.:
C31H35N5O2
Mol. Mass.:
509.6419
SMILES:
Cc1c(nn(CCCCCO)c1-c1ccccc1)C(=O)NCCCc1ccccc1\N=N/c1ccccc1
Structure:
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