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-QYVSTXNMSA-N

Data  1 KI  1 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50335293   

TargetAdenosine deaminase(Bos taurus (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 DepthDetails ArticlePubMed
TargetDNA ligase 1(Homo sapiens (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 DepthDetails ArticlePubMed