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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2' and Ligand = 'BDBM50168107'   
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 A2


(Homo sapiens (Human))
BDBM50168107
PNG
(CHEMBL3798754)
Show SMILES Cc1ccc(o1)-c1nc(N)c2nn(Cc3ccccc3)cc2n1
Show InChI InChI=1S/C17H15N5O/c1-11-7-8-14(23-11)17-19-13-10-22(21-15(13)16(18)20-17)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H2,18,19,20)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 24: 2794-808 (2016)


Article DOI: 10.1016/j.bmc.2016.04.048
BindingDB Entry DOI: 10.7270/Q23X88JC
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50168107
PNG
(CHEMBL3798754)
Show SMILES Cc1ccc(o1)-c1nc(N)c2nn(Cc3ccccc3)cc2n1
Show InChI InChI=1S/C17H15N5O/c1-11-7-8-14(23-11)17-19-13-10-22(21-15(13)16(18)20-17)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H2,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor expressed in CHO cell membranes assessed as inhibition of NECA-stimulated cAMP level preincubated...


Bioorg Med Chem 24: 2794-808 (2016)


Article DOI: 10.1016/j.bmc.2016.04.048
BindingDB Entry DOI: 10.7270/Q23X88JC
More data for this
Ligand-Target Pair