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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50306532'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306532
PNG
(1-methyl-3-(6aR,10aR)-6,6,9-trimethyl-3-(2-methylo...)
Show SMILES CCCCCCC(C)(C)c1cc(NC(=O)NC)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:19|
Show InChI InChI=1S/C27H42N2O2/c1-8-9-10-11-14-26(3,4)19-16-22(29-25(30)28-7)24-20-15-18(2)12-13-21(20)27(5,6)31-23(24)17-19/h15-17,20-21H,8-14H2,1-7H3,(H2,28,29,30)/t20-,21-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
333n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair