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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 = 'BDBM50342513'   
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))		BDBM50342513
PNG
(CHEMBL1771811 | N-(2-(2-(4-(3-(5-Amino-2-(furan-2-...)
Show SMILES Nc1nc2n(CCCc3ccc(OCC(=O)NCCNC(=O)CCCCC#C)cc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C30H33N9O4/c1-2-3-4-5-10-25(40)32-15-16-33-26(41)20-43-22-13-11-21(12-14-22)8-6-17-38-28-23(19-34-38)29-35-27(24-9-7-18-42-24)37-39(29)30(31)36-28/h1,7,9,11-14,18-19H,3-6,8,10,15-17,20H2,(H2,31,36)(H,32,40)(H,33,41)
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Similars
Article
PubMed
 75.4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting

Bioorg Med Chem Lett 21: 2740-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.082
BindingDB Entry DOI: 10.7270/Q2RV0P0B
More data for this
Ligand-Target Pair