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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 = 'BDBM50147660'   
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))
BDBM50147660
PNG
(CHEMBL113228 | [5-Amino-2-(5-methyl-furan-2-yl)-[1...)
Show SMILES Cc1ccc(o1)-c1nc2cc(cc(N)n2n1)C(=O)N1CCCCC1
Show InChI InChI=1S/C17H19N5O2/c1-11-5-6-13(24-11)16-19-15-10-12(9-14(18)22(15)20-16)17(23)21-7-3-2-4-8-21/h5-6,9-10H,2-4,7-8,18H2,1H3
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MMDB

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Similars

Article
PubMed
14n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Binding affinity against human Adenosine A2a receptor (hA2a)


Bioorg Med Chem Lett 14: 3307-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.104
BindingDB Entry DOI: 10.7270/Q2VD6XWM
More data for this
Ligand-Target Pair