Skip to main content
Free research Free research Free assay review with research home and workspace preview
Quick search ChEMBL 36
Assay Detail

CHEMBL5317809

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

Binding
Inhibition of Clostridioides difficile-specific DNA adenine methyltransferase mediated methylation using 5'-CGA TTC AAA AAG TCC CAA G-3' and 3'-GCT AAG TTT TTC AGG GTT C-5' as substrate and SAM as cosubstrate preincubated for 5 mins followed by substrate and cosubstrate addition and measured after 3 mins by MTase glo assay
16
Total Activities
16
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Clostridioides difficile
Confidence 0 — Uncurated / Unknown
Curated By Autocuration

Target

Unchecked (CHEMBL612545)
Type UNCHECKED

Publication

Systematic Design of Adenosine Analogs as Inhibitors of a <i>Clostridioides difficile-</i>Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.
Zhou J, Horton JR, Menna M, Fiorentino F, Ren R, Yu D, Hajian T, Vedadi M, Mazzoccanti G, Ciogli A, Weinhold E, Hüben M, Blumenthal RM, Zhang X, Mai A, Rotili D, Cheng X.
J Med Chem (2023) 66 : 934 -950
PubMed 36581322 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 16 5.54 6.41

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5411006 1 6.41
CHEMBL5414547 1 6.29
CHEMBL2113484 1 6.16
CHEMBL5406914 1 6.15
CHEMBL5410577 1 5.89
CHEMBL5408147 1 5.85
CHEMBL2113406 1 5.80
CHEMBL5404814 1 5.70
CHEMBL1257013 1 5.60
CHEMBL5408731 1 5.42
CHEMBL224024 1 5.32
CHEMBL119709 IB-MECA 1 5.10
CHEMBL259188 1 5.00
CHEMBL388757 N6-BENZYLADENOSINE 1 4.82
CHEMBL277041 METHYLTHIOADENOSINE 1 4.75
CHEMBL2235599 1 4.37

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5411006 IC50 = 390.0 nM 6.41
CHEMBL5414547 IC50 = 510.0 nM 6.29
CHEMBL2113484 IC50 = 700.0 nM 6.16
CHEMBL5406914 IC50 = 710.0 nM 6.15
CHEMBL5410577 IC50 = 1300.0 nM 5.89
CHEMBL5408147 IC50 = 1400.0 nM 5.85
CHEMBL2113406 IC50 = 1600.0 nM 5.80
CHEMBL5404814 IC50 = 2000.0 nM 5.70
CHEMBL1257013 IC50 = 2500.0 nM 5.60
CHEMBL5408731 IC50 = 3800.0 nM 5.42
CHEMBL224024 IC50 = 4800.0 nM 5.32
CHEMBL119709 IB-MECA IC50 = 8000.0 nM 5.10
CHEMBL259188 IC50 = 10000.0 nM 5.00
CHEMBL388757 N6-BENZYLADENOSINE IC50 = 15000.0 nM 4.82
CHEMBL277041 METHYLTHIOADENOSINE IC50 = 18000.0 nM 4.75
CHEMBL2235599 IC50 = 43000.0 nM 4.37