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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 = 'BDBM50179028'   
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))		BDBM50179028
PNG
(1-(3-chlorophenyl)-3-(9-((2R,3R,4S,5S)-5-(ethylcar...)
Show SMILES CCCCC#Cc1nc(NC(=O)Nc2cccc(Cl)c2)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
Show InChI InChI=1S/C25H28ClN7O5/c1-3-5-6-7-11-16-30-21(32-25(37)29-15-10-8-9-14(26)12-15)17-22(31-16)33(13-28-17)24-19(35)18(34)20(38-24)23(36)27-4-2/h8-10,12-13,18-20,24,34-35H,3-6H2,1-2H3,(H,27,36)(H2,29,30,31,32,37)/t18-,19+,20-,24+/m0/s1
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Similars
Article
PubMed
 7.13E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor in rat striatal membranes using [3H]-CGS- 21680.

J Med Chem 41: 3174-85 (1998)


Article DOI: 10.1021/jm980147p
BindingDB Entry DOI: 10.7270/Q2765G10
More data for this
Ligand-Target Pair