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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 = 'BDBM50211857'   
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))
BDBM50211857
PNG
(2-[(3-chlorophenyl)amino]-n-(4-pyridinylmethyl)-4-...)
Show SMILES FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C18H13ClF3N5O/c19-12-2-1-3-13(8-12)26-17-25-10-14(15(27-17)18(20,21)22)16(28)24-9-11-4-6-23-7-5-11/h1-8,10H,9H2,(H,24,28)(H,25,26,27)
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Article
PubMed
n/an/an/an/a 60n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in Saccharomyces cerevisiae cells


J Med Chem 50: 2597-600 (2007)


Article DOI: 10.1021/jm061195+
BindingDB Entry DOI: 10.7270/Q2W095M7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50211857
PNG
(2-[(3-chlorophenyl)amino]-n-(4-pyridinylmethyl)-4-...)
Show SMILES FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C18H13ClF3N5O/c19-12-2-1-3-13(8-12)26-17-25-10-14(15(27-17)18(20,21)22)16(28)24-9-11-4-6-23-7-5-11/h1-8,10H,9H2,(H,24,28)(H,25,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 50n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in Saccharomyces cerevisiae MMY23 using fluorescein di-beta-D-glucopyranoside as substrate after 24 ...


Cell Chem Biol 56: 8224-56 (2013)


Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5
More data for this
Ligand-Target Pair