BDBM50294573 (2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-((2-aminoethylthio)methyl)tetrahydrofuran-3,4-diol::5'-(Aminoethylthio)-5'-deoxy-adenosine::5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINE::CHEMBL563938

SMILES NCCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12

InChI Key InChIKey=APAPOJUCRZTCHD-UHFFFAOYSA-N

Data  3 KI  2 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 5 hits for monomerid = 50294573   

TargetDNA (cytosine-5)-methyltransferase 1(Human)
Methylgene

Curated by ChEMBL
LigandPNGBDBM50294573(5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINE | 5'-(Am...)
Affinity DataIC50: 1.80E+4nMAssay Description:Inhibition of human recombinant DNMT1More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2010
Entry Details Article
PubMed
TargetDNA (cytosine-5)-methyltransferase 3B(Human)
Methylgene

Curated by ChEMBL
LigandPNGBDBM50294573(5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINE | 5'-(Am...)
Affinity DataIC50: 4.10E+4nMAssay Description:Inhibition of human recombinant DNMT3b2More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2010
Entry Details Article
PubMed
TargetHistone-lysine N-methyltransferase, H3 lysine-79 specific(Human)
Baylor College of Medicine

Curated by ChEMBL
LigandPNGBDBM50294573(5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINE | 5'-(Am...)
Affinity DataKi:  2.50E+4nMAssay Description:Inhibition of human recombinant DOT1L catalytic domain amino acid (1 to 472) using [3H]-SAM after 30 mins by scintillation counterMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetPhenylethanolamine N-methyltransferase(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50294573(5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINE | 5'-(Am...)
Affinity DataKi:  2.80E+4nMAssay Description:Competitive inhibition of C-terminal hexahistidine tag in human recombinant PNMT expressed in Escherichia coli assessed as inhibition constant using ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
TargetAlpha-2A adrenergic receptor(Rat)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50294573(5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINE | 5'-(Am...)
Affinity DataKi:  1.10E+6nMAssay Description:Displacement of [3H]-clonidine from Sprague-Dawley rat alpha2 adrenergic receptor by radioligand binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed