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BDBM50309472 (2R,3R,4S,5S)-2-(6-amino-2-((S)-1-hydroxy-3-phenylpropan-2-ylamino)-9H-purin-9-yl)-5-(1H-pyrazol-1-yl)tetrahydrofuran-3,4-diol::CHEMBL603614

SMILES: Nc1nc(N[C@H](CO)Cc2ccccc2)nc2n(cnc12)[C@@H]1C[C@@H]([C@@H](O)[C@H]1O)n1cccn1

InChI Key: InChIKey=MDZKPLSGDDFSOX-JZFYCYHFSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50309472   
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 A2a


(Homo sapiens (Human))		BDBM50309472
PNG
((2R,3R,4S,5S)-2-(6-amino-2-((S)-1-hydroxy-3-phenyl...)
Show SMILES Nc1nc(N[C@H](CO)Cc2ccccc2)nc2n(cnc12)[C@@H]1C[C@@H]([C@@H](O)[C@H]1O)n1cccn1 |r|
Show InChI InChI=1S/C22H26N8O3/c23-20-17-21(28-22(27-20)26-14(11-31)9-13-5-2-1-3-6-13)29(12-24-17)15-10-16(19(33)18(15)32)30-8-4-7-25-30/h1-8,12,14-16,18-19,31-33H,9-11H2,(H3,23,26,27,28)/t14-,15+,16-,18-,19+/m0/s1
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KEGG

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Similars
Article
PubMed
 702n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in Sf21 cells co-expressing GalphaS2, beta4, gamma2

Bioorg Med Chem Lett 20: 1219-24 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.131
BindingDB Entry DOI: 10.7270/Q2X92BDC
More data for this
Ligand-Target Pair