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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50154568'   
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))
BDBM50154568
PNG
(CHEMBL3774717)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(nc12)-c1ccc(OC)cc1 |TLB:20:11:18:14.15.16,THB:16:15:12:18.17.19,16:17:14.15.20:12,10:11:18:14.15.16,20:15:18:11.12.19|
Show InChI InChI=1S/C28H35N5O3/c1-3-4-5-10-32-17-23(25(34)30-28-14-18-11-19(15-28)13-20(12-18)16-28)26(35)33-27(32)29-24(31-33)21-6-8-22(36-2)9-7-21/h6-9,17-20H,3-5,10-16H2,1-2H3,(H,30,34)
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PC cid
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Article
PubMed
47n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes after 60 mins by scintillation counting analysis


Eur J Med Chem 113: 11-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.032
BindingDB Entry DOI: 10.7270/Q21J9CPC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50154568
PNG
(CHEMBL3774717)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(nc12)-c1ccc(OC)cc1 |TLB:20:11:18:14.15.16,THB:16:15:12:18.17.19,16:17:14.15.20:12,10:11:18:14.15.16,20:15:18:11.12.19|
Show InChI InChI=1S/C28H35N5O3/c1-3-4-5-10-32-17-23(25(34)30-28-14-18-11-19(15-28)13-20(12-18)16-28)26(35)33-27(32)29-24(31-33)21-6-8-22(36-2)9-7-21/h6-9,17-20H,3-5,10-16H2,1-2H3,(H,30,34)
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Article
PubMed
n/an/a 128n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of WIN 55,212-2 mediated suppression of forksolin induced c...


Eur J Med Chem 113: 11-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.032
BindingDB Entry DOI: 10.7270/Q21J9CPC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50154568
PNG
(CHEMBL3774717)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(nc12)-c1ccc(OC)cc1 |TLB:20:11:18:14.15.16,THB:16:15:12:18.17.19,16:17:14.15.20:12,10:11:18:14.15.16,20:15:18:11.12.19|
Show InChI InChI=1S/C28H35N5O3/c1-3-4-5-10-32-17-23(25(34)30-28-14-18-11-19(15-28)13-20(12-18)16-28)26(35)33-27(32)29-24(31-33)21-6-8-22(36-2)9-7-21/h6-9,17-20H,3-5,10-16H2,1-2H3,(H,30,34)
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 858n/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB2 receptor transfected in CHO cells assessed as increase in forksolin stimulated cAMP production by scintillation...


Eur J Med Chem 113: 11-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.032
BindingDB Entry DOI: 10.7270/Q21J9CPC
More data for this
Ligand-Target Pair