BDBM50396979 CHEMBL2171170

SMILES CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CN(CCCNC(=O)Nc2ccc(cc2)C(C)(C)C)C(C)C)[C@@H](O)[C@H]1O

InChI Key InChIKey=ROHQGHWNUHVBHY-HUBRGWSESA-N

Data  5 KI  2 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50396979   

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

Curated by ChEMBL
LigandPNGBDBM50396979(CHEMBL2171170)
Affinity DataKi:  0.760nMAssay 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
LigandPNGBDBM50396979(CHEMBL2171170)
Affinity DataKi:  0.800nMAssay Description:Competitive inhibition of recombinant human DOT1L using adenosine/deazaadenosine as substrate and SAM cofactorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone-arginine methyltransferase CARM1(Homo sapiens (Human))
Baylor College Of Medicine

Curated by ChEMBL
LigandPNGBDBM50396979(CHEMBL2171170)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of CARM1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtein arginine N-methyltransferase 1 [11-371](Homo sapiens (Human))
Baylor College Of Medicine

Curated by ChEMBL
LigandPNGBDBM50396979(CHEMBL2171170)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of PRMT1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone-lysine N-methyltransferase SUV39H1(Homo sapiens (Human))
Baylor College Of Medicine

Curated by ChEMBL
LigandPNGBDBM50396979(CHEMBL2171170)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of SUV39H1More 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
LigandPNGBDBM50396979(CHEMBL2171170)
Affinity DataKd:  150nMAssay Description:Binding affinity at human recombinant DOT1L catalytic domain amino acid (1 to 472) by isothermal titration calorimetric assayMore 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
LigandPNGBDBM50396979(CHEMBL2171170)
Affinity DataKd:  86nMAssay Description:Binding affinity at human recombinant DOT1L catalytic domain amino acid (1 to 472)-nucleosome complex by isothermal titration calorimetric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed