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Assay Detail

CHEMBL4374979

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Binding
Inhibition of Escherichia coli ATCC 25922 DNA gyrase A assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA by ethidium bromide staining based gel electrophoresis method
ChEMBL ↗
40
Total Activities
40
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Escherichia coli ATCC 25922
Confidence 8 — Homologous single protein target
Curated By Autocuration

Target

DNA gyrase subunit A (CHEMBL1858) ↗
Type SINGLE PROTEIN
Organism Escherichia coli K-12

Publication

Virtual Screening Approach and Investigation of Structure-Activity Relationships To Discover Novel Bacterial Topoisomerase Inhibitors Targeting Gram-Positive and Gram-Negative Pathogens.
Magarò G, Prati F, Garofalo B, Corso G, Furlotti G, Apicella C, Mangano G, D'Atanasio N, Robinson D, Di Giorgio FP, Ombrato R.
J Med Chem (2019) 62 : 7445 -7472
PubMed 31276392 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 40 5.64 7.40

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4574863 — — 1 7.40
CHEMBL4583368 — — 1 7.00
CHEMBL4533152 — — 1 6.82
CHEMBL4541988 — — 1 6.40
CHEMBL4531900 — — 1 6.30
CHEMBL4567626 — — 1 6.22
CHEMBL4445613 — — 1 6.10
CHEMBL4570423 — — 1 6.05
CHEMBL4537564 — — 1 6.05
CHEMBL8 CIPROFLOXACIN 4.0 1 6.00
CHEMBL4465361 — — 1 5.96
CHEMBL4441397 — — 1 5.96
CHEMBL4544202 — — 1 5.96
CHEMBL4467826 — — 1 5.92
CHEMBL4453182 — — 1 5.89
CHEMBL4575351 — — 1 5.89
CHEMBL4530328 — — 1 5.82
CHEMBL4536608 — — 1 5.75
CHEMBL4549719 — — 1 5.68
CHEMBL4554663 — — 1 5.64
CHEMBL4538428 — — 1 5.64
CHEMBL4465692 — — 1 5.62
CHEMBL4527338 — — 1 5.58
CHEMBL4438807 — — 1 5.55
CHEMBL4476525 — — 1 5.54
CHEMBL4569403 — — 1 5.50
CHEMBL4530941 — — 1 5.32
CHEMBL4591085 — — 1 5.25
CHEMBL4583024 — — 1 5.25
CHEMBL4515683 — — 1 5.21

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4574863 — IC50 = 40.0 nM 7.40
CHEMBL4583368 — IC50 = 100.0 nM 7.00
CHEMBL4533152 — IC50 = 150.0 nM 6.82
CHEMBL4541988 — IC50 = 400.0 nM 6.40
CHEMBL4531900 — IC50 = 500.0 nM 6.30
CHEMBL4567626 — IC50 = 600.0 nM 6.22
CHEMBL4445613 — IC50 = 800.0 nM 6.10
CHEMBL4570423 — IC50 = 900.0 nM 6.05
CHEMBL4537564 — IC50 = 900.0 nM 6.05
CHEMBL8 CIPROFLOXACIN IC50 = 1000.0 nM 6.00
CHEMBL4441397 — IC50 = 1100.0 nM 5.96
CHEMBL4544202 — IC50 = 1100.0 nM 5.96
CHEMBL4465361 — IC50 = 1100.0 nM 5.96
CHEMBL4467826 — IC50 = 1200.0 nM 5.92
CHEMBL4575351 — IC50 = 1300.0 nM 5.89
CHEMBL4453182 — IC50 = 1300.0 nM 5.89
CHEMBL4530328 — IC50 = 1500.0 nM 5.82
CHEMBL4536608 — IC50 = 1800.0 nM 5.75
CHEMBL4549719 — IC50 = 2100.0 nM 5.68
CHEMBL4538428 — IC50 = 2300.0 nM 5.64
CHEMBL4554663 — IC50 = 2300.0 nM 5.64
CHEMBL4465692 — IC50 = 2400.0 nM 5.62
CHEMBL4527338 — IC50 = 2600.0 nM 5.58
CHEMBL4438807 — IC50 = 2800.0 nM 5.55
CHEMBL4476525 — IC50 = 2900.0 nM 5.54
CHEMBL4569403 — IC50 = 3200.0 nM 5.50
CHEMBL4530941 — IC50 = 4800.0 nM 5.32
CHEMBL4591085 — IC50 = 5600.0 nM 5.25
CHEMBL4583024 — IC50 = 5600.0 nM 5.25
CHEMBL4515683 — IC50 = 6200.0 nM 5.21
CHEMBL4453061 — IC50 = 6300.0 nM 5.20
CHEMBL4548671 — IC50 = 7600.0 nM 5.12
CHEMBL4538641 — IC50 = 22300.0 nM 4.65
CHEMBL4557243 — IC50 = 22800.0 nM 4.64
CHEMBL4585210 — IC50 = 31700.0 nM 4.50
CHEMBL4451890 — IC50 = 40600.0 nM 4.39
CHEMBL4559061 — IC50 = 46500.0 nM 4.33
CHEMBL4435611 — IC50 = 66000.0 nM 4.18
CHEMBL4544573 — IC50 = 112000.0 nM -
CHEMBL579300 — IC50 > 800000.0 nM -