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Assay Detail

CHEMBL5153089

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Binding
Inhibition of methicillin-resistant Staphylococcus aureus ProRS expressed in Escherichia coli assessed as generation of inorganic monophosphate by pre-transfer editing-based experiment
23
Total Activities
22
Compounds Tested
2
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Staphylococcus aureus
Confidence 0 — Uncurated / Unknown
Curated By Autocuration

Target

Unchecked (CHEMBL612545)
Type UNCHECKED

Publication

Structure-Guided Design of Halofuginone Derivatives as ATP-Aided Inhibitors Against Bacterial Prolyl-tRNA Synthetase.
Cheng B, Cai Z, Luo Z, Luo S, Luo Z, Cheng Y, Yu Y, Guo J, Ju Y, Gu Q, Xu J, Jiang X, Li G, Zhou H.
J Med Chem (2022) 65 : 15840 -15855
PubMed 36394909 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 22 5.55 6.75
Inhibition 1 - -

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5178546 1 6.75
CHEMBL5198446 1 6.29
CHEMBL5204189 1 6.21
CHEMBL5202024 1 6.20
CHEMBL1197091 HALOFUGINONE 2.0 2 6.18
CHEMBL5198235 1 5.89
CHEMBL5191204 1 5.77
CHEMBL5184075 1 5.25
CHEMBL5171655 1 5.17
CHEMBL5196902 1 5.09
CHEMBL5187091 1 4.91
CHEMBL5186292 1 4.75
CHEMBL5198720 1 4.74
CHEMBL5208666 1 4.44
CHEMBL5197831 1 -
CHEMBL5180305 1 -
CHEMBL5189534 1 -
CHEMBL5209504 1 -
CHEMBL5204632 1 -
CHEMBL5189821 1 -
CHEMBL5174207 1 -
CHEMBL5200681 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5178546 IC50 = 180.0 nM 6.75
CHEMBL5198446 IC50 = 510.0 nM 6.29
CHEMBL5204189 IC50 = 610.0 nM 6.21
CHEMBL5202024 IC50 = 630.0 nM 6.20
CHEMBL1197091 HALOFUGINONE IC50 = 660.0 nM 6.18
CHEMBL5198235 IC50 = 1280.0 nM 5.89
CHEMBL5191204 IC50 = 1710.0 nM 5.77
CHEMBL5184075 IC50 = 5590.0 nM 5.25
CHEMBL5171655 IC50 = 6800.0 nM 5.17
CHEMBL5196902 IC50 = 8200.0 nM 5.09
CHEMBL5187091 IC50 = 12380.0 nM 4.91
CHEMBL5186292 IC50 = 17630.0 nM 4.75
CHEMBL5198720 IC50 = 18320.0 nM 4.74
CHEMBL5208666 IC50 = 36330.0 nM 4.44
CHEMBL5197831 IC50 > 100000.0 nM -
CHEMBL5180305 IC50 > 100000.0 nM -
CHEMBL5189534 IC50 > 100000.0 nM -
CHEMBL5209504 IC50 > 100000.0 nM -
CHEMBL5204632 IC50 > 100000.0 nM -
CHEMBL5189821 IC50 > 100000.0 nM -
CHEMBL5174207 IC50 > 100000.0 nM -
CHEMBL5200681 IC50 > 100000.0 nM -
CHEMBL1197091 HALOFUGINONE Inhibition - % -