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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 = 'BDBM50396922'   
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))		BDBM50396922
PNG
(CHEMBL2170790)
Show SMILES O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(N[C@@H](C3CC3)C3CCC3)nc(Cl)nc12 |r|
Show InChI InChI=1S/C19H24ClN5O2/c20-19-23-17(22-12(9-4-5-9)8-2-1-3-8)13-18(24-19)25(7-21-13)14-10-6-11(10)15(26)16(14)27/h7-12,14-16,26-27H,1-6H2,(H,22,23,24)/t10-,11+,12+,14+,15+,16-/m0/s1
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Similars
Article
PubMed
 2.79E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human A3 adenosine receptor expressed in CHO cells after 60 min Packard Cobra 2 gamma-counter

J Med Chem 55: 8075-90 (2012)


Article DOI: 10.1021/jm300965a
BindingDB Entry DOI: 10.7270/Q22V2H8D
More data for this
Ligand-Target Pair