BDBM50353128 CHEMBL1231795

SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCCCC1

InChI Key InChIKey=QOECJCJVIMVJGX-UHFFFAOYSA-N

Data  3 KI  38 IC50  1 Kd

PDB links: 2 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50353128   

TargetDNA (cytosine-5)-methyltransferase 1(Homo sapiens (Human))
Universidad De Oviedo-Principado De Asturias

Curated by ChEMBL
LigandPNGBDBM50353128(CHEMBL1231795)
Affinity DataIC50:  2.01E+3nMAssay Description:Inhibition of human DNMT1 using polydeoxyinosine polydeoxycytosine DNA as substrate after 15 mins in presence of SAM by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA (cytosine-5)-methyltransferase 1(Homo sapiens (Human))
Universidad De Oviedo-Principado De Asturias

Curated by ChEMBL
LigandPNGBDBM50353128(CHEMBL1231795)
Affinity DataIC50:  1.29E+3nMAssay Description:Inhibition of DNMT1 (unknown origin) by radioactive methyl transfer assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA (cytosine-5)-methyltransferase 1(Homo sapiens (Human))
Universidad De Oviedo-Principado De Asturias

Curated by ChEMBL
LigandPNGBDBM50353128(CHEMBL1231795)
Affinity DataIC50:  1.29E+3nMAssay Description:Inhibition of DNMT1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA (cytosine-5)-methyltransferase 1(Homo sapiens (Human))
Universidad De Oviedo-Principado De Asturias

Curated by ChEMBL
LigandPNGBDBM50353128(CHEMBL1231795)
Affinity DataIC50:  2.01E+3nMAssay Description:Inhibition of human DNMT1 using polydeoxyinosine polydeoxycytosine DNA as substrate after 15 mins in presence of SAM by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA (cytosine-5)-methyltransferase 1(Homo sapiens (Human))
Universidad De Oviedo-Principado De Asturias

Curated by ChEMBL
LigandPNGBDBM50353128(CHEMBL1231795)
Affinity DataIC50:  1.07E+5nMAssay Description:Inhibition of N-terminal GST-tagged recombinant full length human DNMT1 (2 to 1632 residues) using poly(dI-dC)):poly(dI-dC) as substrate preincubated...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed