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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 = 'BDBM50256362'   
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))
BDBM50256362
PNG
(CHEMBL470942 | N7-(cyclopropylmethyl)-N7-(2-(4-(2,...)
Show SMILES Nc1nc(cc2nc(nn12)-c1ccco1)N(CCN1CCN(CC1)c1ccc(F)cc1F)CC1CC1
Show InChI InChI=1S/C25H28F2N8O/c26-18-5-6-20(19(27)14-18)33-10-7-32(8-11-33)9-12-34(16-17-3-4-17)22-15-23-29-24(21-2-1-13-36-21)31-35(23)25(28)30-22/h1-2,5-6,13-15,17H,3-4,7-12,16H2,(H2,28,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.300n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH58261 from human adenosine A2A receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 967-71 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.075
BindingDB Entry DOI: 10.7270/Q2CC10KT
More data for this
Ligand-Target Pair