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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50495643'   
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 2


(Homo sapiens (Human))		BDBM50495643
PNG
(CHEMBL3114175)
Show SMILES CCCCn1cccc(C(=O)NC2CCC(C)CC2)c1=O |(19.14,-44.33,;17.6,-44.33,;16.83,-45.66,;15.29,-45.66,;14.52,-44.33,;15.29,-43,;14.52,-41.67,;12.98,-41.67,;12.21,-43,;10.66,-43,;9.9,-41.67,;9.9,-44.33,;8.36,-44.33,;7.58,-45.66,;6.04,-45.66,;5.28,-44.33,;3.74,-44.33,;6.04,-43,;7.58,-43,;12.98,-44.33,;12.21,-45.66,)|
Show InChI InChI=1S/C17H26N2O2/c1-3-4-11-19-12-5-6-15(17(19)21)16(20)18-14-9-7-13(2)8-10-14/h5-6,12-14H,3-4,7-11H2,1-2H3,(H,18,20)
PDB

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PC cid
PC sid
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Article
PubMed
 104n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes after 90 mins

Eur J Med Chem 74: 524-32 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.070
BindingDB Entry DOI: 10.7270/Q21V5HXR
More data for this
Ligand-Target Pair