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Assay Detail

CHEMBL5138548

Review assay metadata, readout intent, target linkage, and publication context from the same page.

Binding
Inhibition of human C-terminal domain DNMT3b catalytic domain (568 to 853 residues) expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as inhibition of methylated dI-dC formation using poly dI-dC and [Me-3H]SAM as substrate incubated for 45 mins in presence of DNMT3L by liquid scintillation counting analysis
7
Total Activities
7
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

DNA (cytosine-5)-methyltransferase 3B (CHEMBL6095)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Synthesis and Characterization of Transition-State Analogue Inhibitors against Human DNA Methyltransferase 1.
Lamiable-Oulaidi F, Harijan RK, Shaffer KJ, Crump DR, Sun Y, Du Q, Gulab SA, Khan AA, Luxenburger A, Woolhouse AD, Sidoli S, Tyler PC, Schramm VL.
J Med Chem (2022) 65 : 5462 -5494
PubMed 35324190 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 7 5.61 6.52

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5178532 1 6.52
CHEMBL418052 S-ADENOSYLHOMOCYSTEINE 1 6.16
CHEMBL4170114 1 5.92
CHEMBL5189142 1 5.89
CHEMBL5191050 1 5.18
CHEMBL5187655 1 4.89
CHEMBL5192832 1 4.74

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5178532 IC50 = 300.0 nM 6.52
CHEMBL418052 S-ADENOSYLHOMOCYSTEINE IC50 = 700.0 nM 6.16
CHEMBL4170114 IC50 = 1200.0 nM 5.92
CHEMBL5189142 IC50 = 1300.0 nM 5.89
CHEMBL5191050 IC50 = 6600.0 nM 5.18
CHEMBL5187655 IC50 = 12800.0 nM 4.89
CHEMBL5192832 IC50 = 18200.0 nM 4.74