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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 = 'BDBM50259318'   
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


(Rattus norvegicus (rat))		BDBM50259318
PNG
(8-(Benzylamino)Caffeine | CHEMBL1451750)
Show SMILES Cn1c(NCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C15H17N5O2/c1-18-11-12(19(2)15(22)20(3)13(11)21)17-14(18)16-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,16,17)
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PC sid
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Similars
Article
PubMed
 4.50E+3n/an/an/an/an/an/an/an/a



Centre of Excellence for Pharmaceutical Sciences, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom, 2520, South Africa. Electronic address: dalenevanderwalt@gmail.com.

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine receptor A2a in rat brain striatal membrane

Eur J Med Chem 125: 652-656 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.072
BindingDB Entry DOI: 10.7270/Q2QV3PZQ
More data for this
Ligand-Target Pair