BDBM50294572 (2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-((3-aminopropylthio)methyl)tetrahydrofuran-3,4-diol::5'-(Aminopropylthio)-5'-deoxy-adenosine::CHEMBL538693

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

InChI Key InChIKey=FUSRAALGPJJIRO-QYVSTXNMSA-N

Data  2 KI  2 IC50

PDB links: 4 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50294572   

TargetHistone-lysine N-methyltransferase, H3 lysine-79 specific(Homo sapiens (Human))
Baylor College Of Medicine

Curated by ChEMBL
LigandPNGBDBM50294572((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-((3-amin...)
Affinity DataKi:  1.00E+5nMAssay 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 DepthDetails ArticlePubMed
TargetHistone-lysine N-methyltransferase, H3 lysine-79 specific(Homo sapiens (Human))
Baylor College Of Medicine

Curated by ChEMBL
LigandPNGBDBM50294572((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-((3-amin...)
Affinity DataKi:  1.00E+5nMAssay Description:Competitive inhibition of recombinant human DOT1L using adenosine/deazaadenosine as substrate and SAM cofactorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA (cytosine-5)-methyltransferase 1(Homo sapiens (Human))
Methylgene

Curated by ChEMBL
LigandPNGBDBM50294572((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-((3-amin...)
Affinity DataIC50: >4.50E+4nMAssay Description:Inhibition of human recombinant DNMT1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA (cytosine-5)-methyltransferase 3B(Homo sapiens (Human))
Methylgene

Curated by ChEMBL
LigandPNGBDBM50294572((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-((3-amin...)
Affinity DataIC50:  1.70E+4nMAssay Description:Inhibition of human recombinant DNMT3b2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed