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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 = 'BDBM50089958'   
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))
BDBM50089958
PNG
(CHEMBL3581226)
Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1csc(n1)C1(CCOCC1)N1CCCCC1
Show InChI InChI=1S/C27H40N2O2S/c1-25(2,3)20-16-19(17-21(23(20)30)26(4,5)6)22-18-32-24(28-22)27(10-14-31-15-11-27)29-12-8-7-9-13-29/h16-18,30H,7-15H2,1-6H3
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Article
PubMed
50n/an/an/an/an/an/an/an/a



Ipsen Innovation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO-K1 cell membrane by competitive displacement assay


Bioorg Med Chem Lett 25: 88-91 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.003
BindingDB Entry DOI: 10.7270/Q2736SN4
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50089958
PNG
(CHEMBL3581226)
Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1csc(n1)C1(CCOCC1)N1CCCCC1
Show InChI InChI=1S/C27H40N2O2S/c1-25(2,3)20-16-19(17-21(23(20)30)26(4,5)6)22-18-32-24(28-22)27(10-14-31-15-11-27)29-12-8-7-9-13-29/h16-18,30H,7-15H2,1-6H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 40n/an/an/an/a



Ipsen Innovation

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP production


Bioorg Med Chem Lett 25: 88-91 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.003
BindingDB Entry DOI: 10.7270/Q2736SN4
More data for this
Ligand-Target Pair