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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 = 'BDBM50272395'   
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


(Rattus norvegicus (Rat))
BDBM50272395
PNG
(CHEMBL499066 | N-(3-(3-(2-Chloro-4-fluorophenyl)-1...)
Show SMILES Fc1ccc(-c2noc(CCCNc3ccc4ncc(OC(F)(F)F)cc4c3)n2)c(Cl)c1
Show InChI InChI=1S/C21H15ClF4N4O2/c22-17-10-13(23)3-5-16(17)20-29-19(32-30-20)2-1-7-27-14-4-6-18-12(8-14)9-15(11-28-18)31-21(24,25)26/h3-6,8-11,27H,1-2,7H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.30n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated intracellular cAMP level


J Med Chem 51: 5019-34 (2008)


Article DOI: 10.1021/jm800463f
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50272395
PNG
(CHEMBL499066 | N-(3-(3-(2-Chloro-4-fluorophenyl)-1...)
Show SMILES Fc1ccc(-c2noc(CCCNc3ccc4ncc(OC(F)(F)F)cc4c3)n2)c(Cl)c1
Show InChI InChI=1S/C21H15ClF4N4O2/c22-17-10-13(23)3-5-16(17)20-29-19(32-30-20)2-1-7-27-14-4-6-18-12(8-14)9-15(11-28-18)31-21(24,25)26/h3-6,8-11,27H,1-2,7H2
PDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.0150n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in Sf9 cells by GTP-europium binding assay


J Med Chem 51: 5019-34 (2008)


Article DOI: 10.1021/jm800463f
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50272395
PNG
(CHEMBL499066 | N-(3-(3-(2-Chloro-4-fluorophenyl)-1...)
Show SMILES Fc1ccc(-c2noc(CCCNc3ccc4ncc(OC(F)(F)F)cc4c3)n2)c(Cl)c1
Show InChI InChI=1S/C21H15ClF4N4O2/c22-17-10-13(23)3-5-16(17)20-29-19(32-30-20)2-1-7-27-14-4-6-18-12(8-14)9-15(11-28-18)31-21(24,25)26/h3-6,8-11,27H,1-2,7H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.30n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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


J Med Chem 51: 5019-34 (2008)


Article DOI: 10.1021/jm800463f
More data for this
Ligand-Target Pair