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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 = 'BDBM50232937'   
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))
BDBM50232937
PNG
(CHEMBL4086649)
Show SMILES Cc1ccc(cc1Cl)-c1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n(n1)C1CCCC1 |THB:19:18:15:21.20.22,19:20:17.18.23:15,22:20:17:23.14.15,22:14:17:21.19.20|
Show InChI InChI=1S/C27H32ClN3O2/c1-16-6-7-20(11-23(16)28)24-12-22(26(33)31(30-24)21-4-2-3-5-21)25(32)29-27-13-17-8-18(14-27)10-19(9-17)15-27/h6-7,11-12,17-19,21H,2-5,8-10,13-15H2,1H3,(H,29,32)
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PC cid
PC sid
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Similars

Article
PubMed
7.60n/an/an/an/an/an/an/an/a



University of Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...


Eur J Med Chem 127: 398-412 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.002
BindingDB Entry DOI: 10.7270/Q26W9D9V
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50232937
PNG
(CHEMBL4086649)
Show SMILES Cc1ccc(cc1Cl)-c1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n(n1)C1CCCC1 |THB:19:18:15:21.20.22,19:20:17.18.23:15,22:20:17:23.14.15,22:14:17:21.19.20|
Show InChI InChI=1S/C27H32ClN3O2/c1-16-6-7-20(11-23(16)28)24-12-22(26(33)31(30-24)21-4-2-3-5-21)25(32)29-27-13-17-8-18(14-27)10-19(9-17)15-27/h6-7,11-12,17-19,21H,2-5,8-10,13-15H2,1H3,(H,29,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 296n/an/an/an/an/an/a



University of Sassari

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB2 receptor expressed in HEK293 EBNA cell membranes after 30 mins by [35S]-GTPgammaS binding assay


Eur J Med Chem 127: 398-412 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.002
BindingDB Entry DOI: 10.7270/Q26W9D9V
More data for this
Ligand-Target Pair