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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine Receptors A2a (A2a)' and Ligand = 'BDBM50410691'   
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 Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50410691
PNG
(CHEMBL372148)
Show SMILES CCCn1c(=O)n(C)c2cc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C30H28N4O4/c1-3-17-34-29(36)28-26(33(2)30(34)37)18-25(32-28)22-11-15-24(16-12-22)38-19-27(35)31-23-13-9-21(10-14-23)20-7-5-4-6-8-20/h4-16,18,32H,3,17,19H2,1-2H3,(H,31,35)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/a 468n/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Antagonist potency against adenosine A2A receptor of Sprague-Dawley rat aortic smooth muscle


J Med Chem 49: 282-99 (2006)


Article DOI: 10.1021/jm0506221
BindingDB Entry DOI: 10.7270/Q29K4CF5
More data for this
Ligand-Target Pair