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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 = 'BDBM50286061'   
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))
BDBM50286061
PNG
(CHEMBL4166597)
Show SMILES [H][C@@]12C[C@]1([H])c1c(C2)c(nn1-c1c[n+]([O-])ccn1)C(=O)N[C@H](CF)C(C)C |r|
Show InChI InChI=1S/C17H20FN5O2/c1-9(2)13(7-18)20-17(24)15-12-6-10-5-11(10)16(12)23(21-15)14-8-22(25)4-3-19-14/h3-4,8-11,13H,5-7H2,1-2H3,(H,20,24)/t10-,11-,13+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 6.40n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat CB2 receptor expressed in HEK293 cells assessed as increase in beta arrestin recruitment measured after 2 to 3 hr...


ACS Med Chem Lett 8: 1309-1313 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00396
BindingDB Entry DOI: 10.7270/Q25D8VCM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50286061
PNG
(CHEMBL4166597)
Show SMILES [H][C@@]12C[C@]1([H])c1c(C2)c(nn1-c1c[n+]([O-])ccn1)C(=O)N[C@H](CF)C(C)C |r|
Show InChI InChI=1S/C17H20FN5O2/c1-9(2)13(7-18)20-17(24)15-12-6-10-5-11(10)16(12)23(21-15)14-8-22(25)4-3-19-14/h3-4,8-11,13H,5-7H2,1-2H3,(H,20,24)/t10-,11-,13+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.80n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human CB2 receptor expressed in HEK293 cells assessed as increase in beta arrestin recruitment measured after 2 to 3 ...


ACS Med Chem Lett 8: 1309-1313 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00396
BindingDB Entry DOI: 10.7270/Q25D8VCM
More data for this
Ligand-Target Pair