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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2' and Ligand = 'BDBM50275961'   
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))
BDBM50275961
PNG
(CHEMBL472460 | N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)...)
Show SMILES CN1CCC(C1)Oc1cc(F)cc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
Show InChI InChI=1S/C22H25FN6O2/c1-13-7-14(2)29(27-13)22-25-20(11-21(26-22)24-15(3)30)16-8-17(23)10-19(9-16)31-18-5-6-28(4)12-18/h7-11,18H,5-6,12H2,1-4H3,(H,24,25,26,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 5402-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.048
BindingDB Entry DOI: 10.7270/Q28K78ZG
More data for this
Ligand-Target Pair