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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 = 'BDBM50360188'   
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))
BDBM50360188
PNG
(CHEMBL1927628)
Show SMILES CC(C)(C)C(=O)N1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C17H22N8O2/c1-17(2,3)13(26)23-6-8-24(9-7-23)15-20-14(18)25-16(21-15)19-12(22-25)11-5-4-10-27-11/h4-5,10H,6-9H2,1-3H3,(H2,18,19,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
58.4n/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