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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 = 'BDBM50364080'   
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))
BDBM50364080
PNG
(CHEMBL401610)
Show SMILES CC(C)(C)c1nc2cc(ccc2n1CC1CCOCC1)S(=O)(=O)CCCC(F)(F)F
Show InChI InChI=1S/C21H29F3N2O3S/c1-20(2,3)19-25-17-13-16(30(27,28)12-4-9-21(22,23)24)5-6-18(17)26(19)14-15-7-10-29-11-8-15/h5-6,13,15H,4,7-12,14H2,1-3H3
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Article
PubMed
n/an/an/an/a 1n/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor


Bioorg Med Chem Lett 18: 2574-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.048
BindingDB Entry DOI: 10.7270/Q2RB75GW
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50364080
PNG
(CHEMBL401610)
Show SMILES CC(C)(C)c1nc2cc(ccc2n1CC1CCOCC1)S(=O)(=O)CCCC(F)(F)F
Show InChI InChI=1S/C21H29F3N2O3S/c1-20(2,3)19-25-17-13-16(30(27,28)12-4-9-21(22,23)24)5-6-18(17)26(19)14-15-7-10-29-11-8-15/h5-6,13,15H,4,7-12,14H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 1.10n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
BindingDB Entry DOI: 10.7270/Q2JW8FBF
More data for this
Ligand-Target Pair