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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 = 'BDBM50243912'   
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))
BDBM50243912
PNG
(2-(4-hydroxybenzyl)-N,N-diethyl-1-isopentyl-1H-ben...)
Show SMILES CCN(CC)C(=O)c1ccc2n(CCC(C)C)c(Cc3ccc(O)cc3)nc2c1
Show InChI InChI=1S/C24H31N3O2/c1-5-26(6-2)24(29)19-9-12-22-21(16-19)25-23(27(22)14-13-17(3)4)15-18-7-10-20(28)11-8-18/h7-12,16-17,28H,5-6,13-15H2,1-4H3
PDB

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UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair