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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 = 'BDBM50089956'   
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))
BDBM50089956
PNG
(CHEMBL3581228)
Show SMILES CN(C)C1(CCOCC1)c1nc(co1)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C24H36N2O3/c1-22(2,3)17-13-16(14-18(20(17)27)23(4,5)6)19-15-29-21(25-19)24(26(7)8)9-11-28-12-10-24/h13-15,27H,9-12H2,1-8H3
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PC cid
PC sid
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Similars

Article
PubMed
52n/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))
BDBM50089956
PNG
(CHEMBL3581228)
Show SMILES CN(C)C1(CCOCC1)c1nc(co1)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C24H36N2O3/c1-22(2,3)17-13-16(14-18(20(17)27)23(4,5)6)19-15-29-21(25-19)24(26(7)8)9-11-28-12-10-24/h13-15,27H,9-12H2,1-8H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 44n/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