BDBM26596 3-[(6-amino-9H-purin-8-yl)sulfanyl]propanoic acid::A3NI1, 21

SMILES Nc1ncnc2nc(SCCC(O)=O)[nH]c12

InChI Key InChIKey=NCFCRBQEUIJUNG-UHFFFAOYSA-N

Data  1 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 26596   

TargetAdenosine receptor A2a(Homo sapiens (Human))
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM26596(3-[(6-amino-9H-purin-8-yl)sulfanyl]propanoic acid ...)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of human adenosine 2A receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA-(apurinic or apyrimidinic site) endonuclease(Homo sapiens (Human))
University of Southern California

LigandPNGBDBM26596(3-[(6-amino-9H-purin-8-yl)sulfanyl]propanoic acid ...)
Affinity DataIC50:  2.00E+4nMpH: 7.5 T: 2°CAssay Description:To determine the extent of abasic residue cleavage by APE1, recombinant APE1 was preincubated with the potential inhibitors in reaction buffer. Then,...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed