BDBM50396980 CHEMBL2171169

SMILES CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12

InChI Key InChIKey=MTLMDZJUGDUTCP-PTGPVQHPSA-N

Data  9 KI  3 IC50  7 Kd  1 EC50

PDB links: 1 PDB ID matches this monomer.

  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 20 hits for monomerid = 50396980   

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

Curated by ChEMBL
LigandPNGBDBM50396980(CHEMBL2171169)
Affinity DataKi:  0.460nMAssay 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
TargetHistone-lysine N-methyltransferase, H3 lysine-79 specific(Homo sapiens (Human))
Baylor College Of Medicine

Curated by ChEMBL
LigandPNGBDBM50396980(CHEMBL2171169)
Affinity DataKi:  0.5nMAssay Description:Competitive inhibition of recombinant human DOT1L using adenosine/deazaadenosine as substrate and SAM cofactorMore data for this Ligand-Target Pair
TargetHistone-lysine N-methyltransferase, H3 lysine-79 specific(Homo sapiens (Human))
Baylor College Of Medicine

Curated by ChEMBL
LigandPNGBDBM50396980(CHEMBL2171169)
Affinity DataKi:  0.720nMAssay Description:Inhibition of human recombinant DOT1L (catalytic domain 1 to 472) using [3H]-SAM by scintillation containingMore data for this Ligand-Target Pair
TargetProtein arginine N-methyltransferase 1(Homo sapiens)
Baylor College Of Medicine

Curated by ChEMBL
LigandPNGBDBM50396980(CHEMBL2171169)
Affinity DataKi: >5.00E+4nMAssay Description:Inhibition of PRMT1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone-arginine methyltransferase CARM1(Homo sapiens (Human))
Baylor College Of Medicine

Curated by ChEMBL
LigandPNGBDBM50396980(CHEMBL2171169)
Affinity DataKi: >5.00E+4nMAssay Description:Inhibition of CARM1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone-lysine N-methyltransferase SUV39H1(Homo sapiens (Human))
Baylor College Of Medicine

Curated by ChEMBL
LigandPNGBDBM50396980(CHEMBL2171169)
Affinity DataKi: >5.00E+4nMAssay Description:Inhibition of SUV39H1 (unknown origin)More 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
LigandPNGBDBM50396980(CHEMBL2171169)
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
LigandPNGBDBM50396980(CHEMBL2171169)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of SUV39H1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone-arginine methyltransferase CARM1(Homo sapiens (Human))
Baylor College Of Medicine

Curated by ChEMBL
LigandPNGBDBM50396980(CHEMBL2171169)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of CARM1More 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
LigandPNGBDBM50396980(CHEMBL2171169)
Affinity DataKd:  200nMAssay Description:Competitive inhibition of human recombinant DOT1L catalytic domain amino acid (1 to 472)-nucleosome complex by isothermal titration calorimetric assa...More data for this Ligand-Target Pair
TargetHistone-lysine N-methyltransferase, H3 lysine-79 specific(Homo sapiens (Human))
Baylor College Of Medicine

Curated by ChEMBL
LigandPNGBDBM50396980(CHEMBL2171169)
Affinity DataKd:  130nMAssay Description:Competitive inhibition of human recombinant DOT1L catalytic domain amino acid (1 to 472)-nucleosome complex by isothermal titration calorimetric assa...More data for this Ligand-Target Pair
TargetHistone-lysine N-methyltransferase, H3 lysine-79 specific(Homo sapiens (Human))
Baylor College Of Medicine

Curated by ChEMBL
LigandPNGBDBM50396980(CHEMBL2171169)
Affinity DataKd:  550nMAssay Description:Competitive inhibition of human recombinant DOT1L catalytic domain amino acid (1 to 472)-nucleosome complex by isothermal titration calorimetric assa...More data for this Ligand-Target Pair
TargetHistone-lysine N-methyltransferase, H3 lysine-79 specific(Homo sapiens (Human))
Baylor College Of Medicine

Curated by ChEMBL
LigandPNGBDBM50396980(CHEMBL2171169)
Affinity DataEC50:  9nMAssay Description:Inhibition of DOT1L (unknown origin)-mediated H3K79 methylation by cell based assayMore data for this Ligand-Target Pair
TargetHistone-lysine N-methyltransferase, H3 lysine-79 specific(Homo sapiens (Human))
Baylor College Of Medicine

Curated by ChEMBL
LigandPNGBDBM50396980(CHEMBL2171169)
Affinity DataIC50:  100nMAssay Description:Inhibition of recombinant human N-terminal GST-tagged DOT1L (2 to 416 residues) expressed in Escherichia coli assessed as reduction in histone H3 lys...More data for this Ligand-Target Pair
TargetHistone-lysine N-methyltransferase, H3 lysine-79 specific(Homo sapiens (Human))
Baylor College Of Medicine

Curated by ChEMBL
LigandPNGBDBM50396980(CHEMBL2171169)
Affinity DataKd:  240nMAssay Description:Competitive inhibition of human recombinant DOT1L catalytic domain amino acid (1 to 472)-nucleosome complex by isothermal titration calorimetric assa...More data for this Ligand-Target Pair
TargetHistone-lysine N-methyltransferase, H3 lysine-79 specific(Homo sapiens (Human))
Baylor College Of Medicine

Curated by ChEMBL
LigandPNGBDBM50396980(CHEMBL2171169)
Affinity DataKd:  66nMAssay 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
TargetHistone-lysine N-methyltransferase, H3 lysine-79 specific(Homo sapiens (Human))
Baylor College Of Medicine

Curated by ChEMBL
LigandPNGBDBM50396980(CHEMBL2171169)
Affinity DataKd:  73nMAssay Description:Competitive inhibition of human recombinant DOT1L catalytic domain amino acid (1 to 472)-nucleosome complex by isothermal titration calorimetric assa...More data for this Ligand-Target Pair
TargetHistone-lysine N-methyltransferase, H3 lysine-79 specific(Homo sapiens (Human))
Baylor College Of Medicine

Curated by ChEMBL
LigandPNGBDBM50396980(CHEMBL2171169)
Affinity DataKd:  170nMAssay 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
TargetDNA (cytosine-5)-methyltransferase 1(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50396980(CHEMBL2171169)
Affinity DataIC50:  2.90nMAssay Description:Inhibition of DNMT1 (unknown origin)More 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
LigandPNGBDBM50396980(CHEMBL2171169)
Affinity DataIC50:  14nMAssay Description:Inhibition of recombinant human His6-SUMO tagged DOT1L (1 to 416 residues) expressed in Escherichia coli BL21(DE3) using oligonucleosome as substrate...More data for this Ligand-Target Pair