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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 = 'BDBM50175134'   
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))
BDBM50175134
PNG
((5Z,8Z,11Z,14Z)-N-(2,4-dimethoxyphenethyl)icosa-5,...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCc1ccc(OC)cc1OC
Show InChI InChI=1S/C30H45NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30(32)31-25-24-27-22-23-28(33-2)26-29(27)34-3/h8-9,11-12,14-15,17-18,22-23,26H,4-7,10,13,16,19-21,24-25H2,1-3H3,(H,31,32)/b9-8-,12-11-,15-14-,18-17-
PDB

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PC cid
PC sid
UniChem
Article
PubMed
500n/an/an/an/an/an/an/an/a



Institute of Biomolecular Chemistry

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 138-41 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.023
BindingDB Entry DOI: 10.7270/Q2JQ11SX
More data for this
Ligand-Target Pair