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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 = 'BDBM50272392'   
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))
BDBM50272392
PNG
(5-tert-Butyl-N-(3-(3-(2-chloro-4-fluorophenyl)-1,2...)
Show SMILES CC(C)(C)c1cc(NCCCc2nc(no2)-c2ccc(F)cc2Cl)no1
Show InChI InChI=1S/C18H20ClFN4O2/c1-18(2,3)14-10-15(23-25-14)21-8-4-5-16-22-17(24-26-16)12-7-6-11(20)9-13(12)19/h6-7,9-10H,4-5,8H2,1-3H3,(H,21,23)
KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 190n/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
BindingDB Entry DOI: 10.7270/Q2W096VS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50272392
PNG
(5-tert-Butyl-N-(3-(3-(2-chloro-4-fluorophenyl)-1,2...)
Show SMILES CC(C)(C)c1cc(NCCCc2nc(no2)-c2ccc(F)cc2Cl)no1
Show InChI InChI=1S/C18H20ClFN4O2/c1-18(2,3)14-10-15(23-25-14)21-8-4-5-16-22-17(24-26-16)12-7-6-11(20)9-13(12)19/h6-7,9-10H,4-5,8H2,1-3H3,(H,21,23)
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 27n/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
BindingDB Entry DOI: 10.7270/Q2W096VS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50272392
PNG
(5-tert-Butyl-N-(3-(3-(2-chloro-4-fluorophenyl)-1,2...)
Show SMILES CC(C)(C)c1cc(NCCCc2nc(no2)-c2ccc(F)cc2Cl)no1
Show InChI InChI=1S/C18H20ClFN4O2/c1-18(2,3)14-10-15(23-25-14)21-8-4-5-16-22-17(24-26-16)12-7-6-11(20)9-13(12)19/h6-7,9-10H,4-5,8H2,1-3H3,(H,21,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 130n/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
BindingDB Entry DOI: 10.7270/Q2W096VS
More data for this
Ligand-Target Pair