BDBM50443016 CHEMBL3087498

SMILES CC(C)[N@](CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cc(c4c3ncnc4N)Br)O)O

InChI Key InChIKey=IQCKJUKAQJINMK-UHFFFAOYSA-N

Data  3 IC50  1 Kd  1 EC50

PDB links: 3 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50443016   

TargetHistone-lysine N-methyltransferase, H3 lysine-79 specific(Human)
Icahn School of Medicine At Mount Sinai

Curated by ChEMBL
LigandPNGBDBM50443016(CHEMBL3087498)
Affinity DataIC50: 8.80nMAssay Description:Inhibition of DOT1L in human MCF10A cells assessed as reduction of H3K79 levelMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/23/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHistone-lysine N-methyltransferase, H3 lysine-79 specific(Human)
Icahn School of Medicine At Mount Sinai

Curated by ChEMBL
LigandPNGBDBM50443016(CHEMBL3087498)
Affinity DataKd:  0.0600nMAssay Description:Binding affinity to DOT1L (unknown origin) by surface plasmon resonance analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/23/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHistone-lysine N-methyltransferase, H3 lysine-79 specific(Human)
Icahn School of Medicine At Mount Sinai

Curated by ChEMBL
LigandPNGBDBM50443016(CHEMBL3087498)
Affinity DataEC50:  9nMAssay Description:Inhibition of DOT1L (unknown origin)-mediated H3K79 methylation by cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHistone-lysine N-methyltransferase, H3 lysine-79 specific(Human)
Icahn School of Medicine At Mount Sinai

Curated by ChEMBL
LigandPNGBDBM50443016(CHEMBL3087498)
Affinity DataIC50: 0.300nMAssay Description:Competitive inhibition of recombinant human DOT1L using adenosine/deazaadenosine as substrate and SAM cofactorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetDNA (cytosine-5)-methyltransferase 1(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM50443016(CHEMBL3087498)
Affinity DataIC50: 0.300nMAssay Description:Inhibition of DNMT1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2021
Entry Details Article
PubMed