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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50117109   
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))		BDBM50117109
PNG
(1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccncc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C17H13N9O2/c1-25-9-11-13(23-25)21-16(22-17(27)19-10-4-6-18-7-5-10)26-15(11)20-14(24-26)12-3-2-8-28-12/h2-9H,1H3,(H2,18,19,21,22,23,27)
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n/an/a 0.700n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A3 receptor expressed in CHO cells assessed as blockade of Cl-IB-MECA-mediated inhibition of forskolin-stimula...

J Med Chem 55: 5676-703 (2012)


Article DOI: 10.1021/jm300087j
BindingDB Entry DOI: 10.7270/Q25H7HDK
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50117109
PNG
(1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccncc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C17H13N9O2/c1-25-9-11-13(23-25)21-16(22-17(27)19-10-4-6-18-7-5-10)26-15(11)20-14(24-26)12-3-2-8-28-12/h2-9H,1H3,(H2,18,19,21,22,23,27)
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Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Universit£ degli Studi di Trieste

Curated by ChEMBL


Assay Description
Inhibition of NECA-stimulated cAMP accumulation in CHO cells expressing human adenosine A2B receptor

J Med Chem 49: 1720-9 (2006)


Article DOI: 10.1021/jm051147+
BindingDB Entry DOI: 10.7270/Q26974CT
More data for this
Ligand-Target Pair