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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 = 'BDBM50272394'   
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))
BDBM50272394
PNG
(6-Chloro-N-(3-(3-(2-chloro-4-fluorophenyl)-1,2,4-o...)
Show SMILES Fc1ccc(-c2noc(CCCNc3cnc4ccc(Cl)cc4c3)n2)c(Cl)c1
Show InChI InChI=1S/C20H15Cl2FN4O/c21-13-3-6-18-12(8-13)9-15(11-25-18)24-7-1-2-19-26-20(27-28-19)16-5-4-14(23)10-17(16)22/h3-6,8-11,24H,1-2,7H2
KEGG

UniProtKB/SwissProt

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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
BindingDB Entry DOI: 10.7270/Q2W096VS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50272394
PNG
(6-Chloro-N-(3-(3-(2-chloro-4-fluorophenyl)-1,2,4-o...)
Show SMILES Fc1ccc(-c2noc(CCCNc3cnc4ccc(Cl)cc4c3)n2)c(Cl)c1
Show InChI InChI=1S/C20H15Cl2FN4O/c21-13-3-6-18-12(8-13)9-15(11-25-18)24-7-1-2-19-26-20(27-28-19)16-5-4-14(23)10-17(16)22/h3-6,8-11,24H,1-2,7H2
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.70n/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))
BDBM50272394
PNG
(6-Chloro-N-(3-(3-(2-chloro-4-fluorophenyl)-1,2,4-o...)
Show SMILES Fc1ccc(-c2noc(CCCNc3cnc4ccc(Cl)cc4c3)n2)c(Cl)c1
Show InChI InChI=1S/C20H15Cl2FN4O/c21-13-3-6-18-12(8-13)9-15(11-25-18)24-7-1-2-19-26-20(27-28-19)16-5-4-14(23)10-17(16)22/h3-6,8-11,24H,1-2,7H2
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.20n/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