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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 = 'BDBM50112193'   
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))		BDBM50112193
PNG
(CHEMBL52648 | N-[5-(6-Cyclopentylamino-purin-9-yl)...)
Show SMILES Cc1ccc(cc1C)C(=O)N[C@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C24H30N6O4/c1-13-7-8-15(9-14(13)2)23(33)29-18-17(10-31)34-24(20(18)32)30-12-27-19-21(25-11-26-22(19)30)28-16-5-3-4-6-16/h7-9,11-12,16-18,20,24,31-32H,3-6,10H2,1-2H3,(H,29,33)(H,25,26,28)/t17-,18+,20-,24-/m1/s1
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Similars
Article
PubMed
 3.68E+3n/an/an/an/an/an/an/an/a



University of Ghent

Curated by ChEMBL


Assay Description
Affinity for adenosine A2a receptor was determined on rat striatal membrane using [3H]-CGS- 21680 as radioligand

J Med Chem 40: 3765-72 (1997)


Article DOI: 10.1021/jm970176k
BindingDB Entry DOI: 10.7270/Q2RF5VP4
More data for this
Ligand-Target Pair