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SMILES: C(Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)c1ccccc1

InChI Key: InChIKey=NPPHTZNKBUCRPG-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50170836   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50170836
PNG
(CHEMBL190147 | N*2*-Benzyl-N*6*-cyclohexyl-9H-puri...)
Show SMILES C(Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)c1ccccc1
Show InChI InChI=1S/C18H22N6/c1-3-7-13(8-4-1)11-19-18-23-16-15(20-12-21-16)17(24-18)22-14-9-5-2-6-10-14/h1,3-4,7-8,12,14H,2,5-6,9-11H2,(H3,19,20,21,22,23,24)
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Similars
Article
PubMed
 920n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [125I]- AB-MECA binding to human adenosine A3 receptor expressed in CHO cells

J Med Chem 48: 4910-8 (2005)


Article DOI: 10.1021/jm050221l
BindingDB Entry DOI: 10.7270/Q2N58KWZ
More data for this
Ligand-Target Pair