BDBM50544058 CHEMBL4640631

SMILES CC(C)NCCn1c2ccc(cc2c3c1ccc(c3)C(=O)C)C(=O)C

InChI Key InChIKey=JKCSODVERGVDLT-UHFFFAOYSA-N

Data  2 IC50  6 Kd

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 8 hits for monomerid = 50544058   

TargetDNA (cytosine-5)-methyltransferase 3A(Mouse)
M. V. Lomonosov Moscow State University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50544058BDBM50544058(CHEMBL4640631)
Affinity DataKd:  900nMAssay Description:Binding affinity to murine DNMT3A catalytic domain assessed as enzyme-DNA complex formation at 15 uM using 30-mer duplex DNA (22 AT bp) as substrate ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetDNA (cytosine-5)-methyltransferase 3A(Mouse)
M. V. Lomonosov Moscow State University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50544058BDBM50544058(CHEMBL4640631)
Affinity DataKd:  900nMAssay Description:Binding affinity to murine DNMT3A catalytic domain assessed as enzyme-DNA complex formation at 5 uM using 30-mer duplex DNA (22 AT bp) as substrate p...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetDNA (cytosine-5)-methyltransferase 3A(Mouse)
M. V. Lomonosov Moscow State University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50544058BDBM50544058(CHEMBL4640631)
Affinity DataKd:  1.30E+3nMAssay Description:Binding affinity to murine DNMT3A catalytic domain assessed as enzyme-DNA complex formation at 5 uM using 30-mer duplex DNA (17 AT bp) as substrate p...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetDNA (cytosine-5)-methyltransferase 3A(Mouse)
M. V. Lomonosov Moscow State University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50544058BDBM50544058(CHEMBL4640631)
Affinity DataKd:  1.50E+3nMAssay Description:Binding affinity to murine DNMT3A catalytic domain assessed as enzyme-DNA complex formation at 30 uM using 30-mer duplex DNA (22 AT bp) as substrate ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetDNA (cytosine-5)-methyltransferase 3A(Mouse)
M. V. Lomonosov Moscow State University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50544058BDBM50544058(CHEMBL4640631)
Affinity DataKd:  1.50E+3nMAssay Description:Binding affinity to murine DNMT3A catalytic domain assessed as enzyme-DNA complex formation at 15 uM using 30-mer duplex DNA (17 AT bp) as substrate ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetDNA (cytosine-5)-methyltransferase 3A(Mouse)
M. V. Lomonosov Moscow State University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50544058BDBM50544058(CHEMBL4640631)
Affinity DataKd:  1.70E+3nMAssay Description:Binding affinity to murine DNMT3A catalytic domain assessed as enzyme-DNA complex formation at 30 uM using 30-mer duplex DNA (17 AT bp) as substrate ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetDNA (cytosine-5)-methyltransferase 3A(Mouse)
M. V. Lomonosov Moscow State University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50544058BDBM50544058(CHEMBL4640631)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of murine DNMT3A catalytic domain-mediated DNA methylation using 5'-6FAM-tagged 30-mer duplex DNA (22 AT bp) as substrate preincubated for...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetDNA (cytosine-5)-methyltransferase 3A(Mouse)
M. V. Lomonosov Moscow State University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50544058BDBM50544058(CHEMBL4640631)
Affinity DataIC50: 9.00E+3nMAssay Description:Inhibition of murine DNMT3A catalytic domain-mediated DNA methylation using 5'-6FAM-tagged 30-mer duplex DNA (17 AT bp) as substrate preincubated for...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed