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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a/A2b' and Ligand = 'BDBM50228504'   
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/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50228504
PNG
(CHEMBL3142684)
Show SMILES Cc1c(C)c2c(N)ncnc2n1[C@H]1C[C@H](O)[C@@H](CO)O1 |r|
Show InChI InChI=1S/C13H18N4O3/c1-6-7(2)17(10-3-8(19)9(4-18)20-10)13-11(6)12(14)15-5-16-13/h5,8-10,18-19H,3-4H2,1-2H3,(H2,14,15,16)/t8-,9+,10+/m0/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
>2.50E+5n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2 receptor from rat striatal membrane using [3H]NECA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair