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Assay Detail

CHEMBL5317810

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

Binding
Binding affinity to Clostridioides difficile-specific DNA adenine methyltransferase by MicroCal PEAQ-ITC instrument analysis
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
Kd 16 5.63 6.85

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5406914 1 6.85
CHEMBL5411006 1 6.85
CHEMBL5414547 1 6.64
CHEMBL2113484 1 6.30
CHEMBL5404814 1 5.96
CHEMBL5410577 1 5.89
CHEMBL5408147 1 5.82
CHEMBL2113406 1 5.80
CHEMBL1257013 1 5.54
CHEMBL119709 IB-MECA 1 5.41
CHEMBL224024 1 5.28
CHEMBL277041 METHYLTHIOADENOSINE 1 4.96
CHEMBL388757 N6-BENZYLADENOSINE 1 4.89
CHEMBL259188 1 4.85
CHEMBL1256714 1 4.75
CHEMBL2235599 1 4.31

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5406914 Kd = 140.0 nM 6.85
CHEMBL5411006 Kd = 140.0 nM 6.85
CHEMBL5414547 Kd = 230.0 nM 6.64
CHEMBL2113484 Kd = 500.0 nM 6.30
CHEMBL5404814 Kd = 1100.0 nM 5.96
CHEMBL5410577 Kd = 1300.0 nM 5.89
CHEMBL5408147 Kd = 1500.0 nM 5.82
CHEMBL2113406 Kd = 1600.0 nM 5.80
CHEMBL1257013 Kd = 2900.0 nM 5.54
CHEMBL119709 IB-MECA Kd = 3900.0 nM 5.41
CHEMBL224024 Kd = 5300.0 nM 5.28
CHEMBL277041 METHYLTHIOADENOSINE Kd = 11000.0 nM 4.96
CHEMBL388757 N6-BENZYLADENOSINE Kd = 13000.0 nM 4.89
CHEMBL259188 Kd = 14000.0 nM 4.85
CHEMBL1256714 Kd = 18000.0 nM 4.75
CHEMBL2235599 Kd = 49000.0 nM 4.31