Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM50169954
Substrate
n/a
Meas. Tech.
ChEMBL_302959 (CHEMBL828804)
Ki
79.7±n/a nM
Citation
 Lu, D; Meng, Z; Thakur, GA; Fan, P; Steed, J; Tartal, CL; Hurst, DP; Reggio, PH; Deschamps, JR; Parrish, DA; George, C; Järbe, TU; Lamb, RJ; Makriyannis, A Adamantyl cannabinoids: a novel class of cannabinergic ligands. J Med Chem 48:4576-85 (2005) [PubMed]  Article 
Target
Name:
Cannabinoid receptor 1
Synonyms:
Brain-type cannabinoid receptor | CANNABINOID CB1 | CB-R | CB1 | CNR1_RAT | Cannabinoid CB1 receptor | Cannabinoid receptor | Cannabinoid receptor 1 (CB1) | Cnr1 | Skr6
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
52856.55
Organism:
Rattus norvegicus (rat)
Description:
P20272
Residue:
473
Sequence:
MKSILDGLADTTFRTITTDLLYVGSNDIQYEDIKGDMASKLGYFPQKFPLTSFRGSPFQEKMTAGDNSPLVPAGDTTNITEFYNKSLSSFKENEENIQCGENFMDMECFMILNPSQQLAIAVLSLTLGTFTVLENLLVLCVILHSRSLRCRPSYHFIGSLAVADLLGSVIFVYSFVDFHVFHRKDSPNVFLFKLGGVTASFTASVGSLFLTAIDRYISIHRPLAYKRIVTRPKAVVAFCLMWTIAIVIAVLPLLGWNCKKLQSVCSDIFPLIDETYLMFWIGVTSVLLLFIVYAYMYILWKAHSHAVRMIQRGTQKSIIIHTSEDGKVQVTRPDQARMDIRLAKTLVLILVVLIICWGPLLAIMVYDVFGKMNKLIKTVFAFCSMLCLLNSTVNPIIYALRSKDLRHAFRSMFPSCEGTAQPLDNSMGDSDCLHKHANNTASMHRAAESCIKSTVKIAKVTMSVSTDTSAEAL
  
Inhibitor
Name:
BDBM50169954
Synonyms:
(6aR,10aR)-3-Adamantan-2-ylmethyl-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol | AM-757 | CHEMBL372866
Type:
Small organic molecule
Emp. Form.:
C27H36O2
Mol. Mass.:
392.5735
SMILES:
CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(CC3C4CC5CC(C4)CC3C5)cc1OC2(C)C |r,wU:5.7,wD:4.3,t:1,TLB:12:13:15:19.17.18,THB:17:16:13:19.18.20,17:18:15.16.22:13,20:18:15:22.21.13,20:21:15:19.17.18,(7.79,-4.59,;7.79,-6.13,;6.45,-6.92,;6.45,-8.46,;7.79,-9.23,;9.12,-8.46,;9.12,-6.92,;10.46,-9.23,;11.78,-8.47,;11.79,-6.92,;13.11,-9.24,;13.1,-10.78,;14.44,-11.56,;15.78,-10.8,;15.79,-9.31,;14.59,-8.03,;16.1,-8.45,;17.51,-7.88,;18.53,-9.16,;17.12,-8.81,;18.54,-10.7,;17.14,-11.28,;16.08,-10.04,;11.76,-11.54,;10.44,-10.76,;9.11,-11.54,;7.79,-10.76,;6.28,-11.16,;7.38,-12.25,)|
Structure:
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