BDBM50075098 CHEMBL3414626::US10143704, Compound A2::US9446064, A2

SMILES CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)C4CC(C4)CCc5[nH]c6ccc(cc6n5)C(C)(C)C

InChI Key InChIKey=LXFOLMYKSYSZQS-UHFFFAOYSA-N

Data  3 KI  8 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50075098   

LigandPNGBDBM50075098(CHEMBL3414626 | US9446064, A2 | US10143704, Compou...)
Affinity DataIC50: 0.740nMAssay Description:An in vitro biological assay that can be used includes the steps of (1) mixing a histone substrate (e.g., an isolated histone sample for a histone or...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2017
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetHistone-lysine N-methyltransferase, H3 lysine-79 specific(Human)
Icahn School of Medicine At Mount Sinai

Curated by ChEMBL
LigandPNGBDBM50075098(CHEMBL3414626 | US9446064, A2 | US10143704, Compou...)
Affinity DataIC50: 3.5nMAssay Description:Inhibition of DOT1L in human MV4-11 cells expressing MLL-AF4 assessed as cell growth inhibition after 14 days by Guava Viacount assayMore 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
LigandPNGBDBM50075098(CHEMBL3414626 | US9446064, A2 | US10143704, Compou...)
Affinity DataIC50: 3nMAssay Description:Inhibition of DOT1L in human MV4-11 cells expressing MLL-AF4 assessed as reduction of H3K79me2 level after 4 days by ELISA methodMore 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
LigandPNGBDBM50075098(CHEMBL3414626 | US9446064, A2 | US10143704, Compou...)
Affinity DataIC50: 0.740nMAssay Description:Test compounds were serially diluted 3 fold in DMSO for 10 points and 1 μl was plated in a 384 well microtiter plate. Positive control (100% inh...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/30/2019
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetHistone-lysine N-methyltransferase, H3 lysine-79 specific(Human)
Icahn School of Medicine At Mount Sinai

Curated by ChEMBL
LigandPNGBDBM50075098(CHEMBL3414626 | US9446064, A2 | US10143704, Compou...)
Affinity DataIC50: 0.100nMAssay Description:Inhibition of DOT1L (2 to 416 residues) (unknown origin) using biotinylated nucleosomes as substrate preincubated for 30 mins followed by substrate a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/30/2019
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
LigandPNGBDBM50075098(CHEMBL3414626 | US9446064, A2 | US10143704, Compou...)
Affinity DataIC50: 52nMAssay Description:Inhibition of DOT1L in human MOLM13 cells assessed as suppression of HoxA9 gene after 72 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/30/2019
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
LigandPNGBDBM50075098(CHEMBL3414626 | US9446064, A2 | US10143704, Compou...)
Affinity DataIC50: 7nMAssay Description:Inhibition of DOT1L in human HeLa cells assessed as reduction in H3K79me2 level after 72 hrs by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/30/2019
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
LigandPNGBDBM50075098(CHEMBL3414626 | US9446064, A2 | US10143704, Compou...)
Affinity DataIC50: 7.80nMAssay 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
In Depth
Date in BDB:
1/28/2020
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
LigandPNGBDBM50075098(CHEMBL3414626 | US9446064, A2 | US10143704, Compou...)
Affinity DataKi:  0.0120nMAssay Description:Competitive inhibition of DOT1L (2 to 416 residues) (unknown origin) using biotinylated nucleosomes as substrate preincubated for 30 mins followed by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/30/2019
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
LigandPNGBDBM50075098(CHEMBL3414626 | US9446064, A2 | US10143704, Compou...)
Affinity DataKi:  0.0800nMAssay Description:Inhibition of human DOT1L using oligo-nucleosome/[3H]-SAM as substrate preincubated for 30 mins followed by substrate addition measured after 120 min...More 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
LigandPNGBDBM50075098(CHEMBL3414626 | US9446064, A2 | US10143704, Compou...)
Affinity DataKi:  0.0800nMAssay Description:Inhibition of human DOT1-like Histone H3 Methyltransferase preincubated for 30 mins followed by 3H-SAM addition and measured after 120 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)