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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 = 'BDBM50513556'   
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


(Homo sapiens (Human))		BDBM50513556
PNG
(CHEMBL4546278)
Show SMILES CCOc1cc(\C=N\Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)ccc1O |r|
Show InChI InChI=1S/C19H23N7O6/c1-2-31-11-5-9(3-4-10(11)28)6-22-25-19-23-16(20)13-17(24-19)26(8-21-13)18-15(30)14(29)12(7-27)32-18/h3-6,8,12,14-15,18,27-30H,2,7H2,1H3,(H3,20,23,24,25)/b22-6+/t12-,14-,15-,18-/m1/s1
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MMDB

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PC cid
PC sid
UniChem
Article
PubMed
 1.62E+3n/an/an/an/an/an/an/an/a



National Engineering Research Center for the Emergency Drug

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human cloned adenosine receptor A2A expressed in HEK-293 cell membrane incubated for 60 mins by microbeta counting ...

Eur J Med Chem 179: 310-324 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.050
BindingDB Entry DOI: 10.7270/Q24B34NM
More data for this
Ligand-Target Pair