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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 = 'BDBM50277305'   
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))
BDBM50277305
PNG
(4-(5-(5-(cyclohexylmethyl)-1H-pyrazol-3-yl)-2-meth...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCOCC1)-c1cc(CC2CCCCC2)[nH]n1
Show InChI InChI=1S/C21H29N3O3S/c1-16-7-8-18(14-21(16)28(25,26)24-9-11-27-12-10-24)20-15-19(22-23-20)13-17-5-3-2-4-6-17/h7-8,14-15,17H,2-6,9-13H2,1H3,(H,22,23)
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PC cid
PC sid
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Article
PubMed
87n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human cloned CB2 receptor by scintillation spectrometry


Bioorg Med Chem Lett 19: 309-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.091
BindingDB Entry DOI: 10.7270/Q2G73DK3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50277305
PNG
(4-(5-(5-(cyclohexylmethyl)-1H-pyrazol-3-yl)-2-meth...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCOCC1)-c1cc(CC2CCCCC2)[nH]n1
Show InChI InChI=1S/C21H29N3O3S/c1-16-7-8-18(14-21(16)28(25,26)24-9-11-27-12-10-24)20-15-19(22-23-20)13-17-5-3-2-4-6-17/h7-8,14-15,17H,2-6,9-13H2,1H3,(H,22,23)
PDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 190n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB2 receptor assessed as stimulation of [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 309-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.091
BindingDB Entry DOI: 10.7270/Q2G73DK3
More data for this
Ligand-Target Pair