BDBM50335293 (2R,3R,4S,5R)-2-(6-amino-2-(butylthio)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol::2-(butylsulfanyl)adenosine::CHEMBL1233689

SMILES CCCCSc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1

InChI Key InChIKey=JUZWTKSKLZRPBL-UHFFFAOYSA-N

Data  1 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50335293   

TargetDNA ligase 1(Human)
Astrazeneca R&D Boston

Curated by ChEMBL
LigandPNGBDBM50335293((2R,3R,4S,5R)-2-(6-amino-2-(butylthio)-9H-purin-9-...)
Affinity DataIC50: 2.00E+5nMAssay Description:Inhibition of human DNA Ligase I by FRET-based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetAdenosine deaminase(Bovine)
Bar-Ilan University

Curated by ChEMBL
LigandPNGBDBM50335293((2R,3R,4S,5R)-2-(6-amino-2-(butylthio)-9H-purin-9-...)
Affinity DataKi:  6.60E+3nMAssay Description:Inhibition of calf intestine adenosine deaminase by Lineweaver-Burk plot analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/4/2013
Entry Details Article
PubMed