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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50237772'   
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 A3


(Homo sapiens (Human))		BDBM50237772
PNG
(CHEMBL4069499)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3C[C@H]3c3ccccc3)ncnc12 |r|
Show InChI InChI=1S/C20H22N6O3Se/c1-21-19(29)16-14(27)15(28)20(30-16)26-9-24-13-17(22-8-23-18(13)26)25-12-7-11(12)10-5-3-2-4-6-10/h2-6,8-9,11-12,14-16,20,27-28H,7H2,1H3,(H,21,29)(H,22,23,25)/t11-,12+,14-,15+,16-,20+/m0/s1
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Similars
Article
PubMed
 3.90n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counting analysis

J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair