Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM50244360
Substrate
n/a
Meas. Tech.
ChEMBL_564384 (CHEMBL962379)
Ki
1.08±n/a nM
Citation
 Ferreira, AM; Krishnamurthy, M; Moore, BM; Finkelstein, D; Bashford, D Quantitative structure-activity relationship (QSAR) for a series of novel cannabinoid derivatives using descriptors derived from semi-empirical quantum-chemical calculations. Bioorg Med Chem 17:2598-606 (2009) [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:
BDBM50244360
Synonyms:
(6aR,10aR)-6,6,9-trimethyl-3-(2-(thiophen-2-yl)propan-2-yl)-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol | 6,6,9-Trimethyl-3-(1-methyl-1-thiophen-2-yl-ethyl)-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol | CHEMBL519575
Type:
Small organic molecule
Emp. Form.:
C23H28O2S
Mol. Mass.:
368.532
SMILES:
CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1cccs1 |r,t:1|
Structure:
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