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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50360212'   
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
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50360212
PNG
(CHEMBL1927439)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)C(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H17N9O4/c20-17-22-18(23-19-21-15(24-27(17)19)14-2-1-11-32-14)26-9-7-25(8-10-26)16(29)12-3-5-13(6-4-12)28(30)31/h1-6,11H,7-10H2,(H2,20,21,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
212n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting


J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair