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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50532456'   
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))
BDBM50532456
PNG
(CHEMBL4581919)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2-c3nn(CCO)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H34N2O3/c1-6-7-8-9-10-22(2,3)16-13-18(27)20-19(14-16)28-23(4,5)17-15-25(11-12-26)24-21(17)20/h13-15,26-27H,6-12H2,1-5H3
PDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
40n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50532456
PNG
(CHEMBL4581919)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2-c3nn(CCO)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H34N2O3/c1-6-7-8-9-10-22(2,3)16-13-18(27)20-19(14-16)28-23(4,5)17-15-25(11-12-26)24-21(17)20/h13-15,26-27H,6-12H2,1-5H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
40n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair