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Assay Detail

CHEMBL4393344

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

Binding
Inhibition of Escherichia coli LpxC C63A mutant using UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetylglucosamine as substrate measured after 30 mins by fluorescence based microplate assay
ChEMBL ↗
72
Total Activities
41
Compounds Tested
2
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Escherichia coli
Confidence 0 — Uncurated / Unknown
Curated By Autocuration

Target

Unchecked (CHEMBL612545) ↗
Type UNCHECKED

Publication

Proline-based hydroxamates targeting the zinc-dependent deacetylase LpxC: Synthesis, antibacterial properties, and docking studies.
Kalinin DV, Agoglitta O, Van de Vyver H, Melesina J, Wagner S, Riemann B, Schäfers M, Sippl W, Löffler B, Holl R.
Bioorg Med Chem (2019) 27 : 1997 -2018
PubMed 30954331 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 41 4.72 6.92
Ki 31 5.43 6.47

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4446046 — — 1 6.92
CHEMBL4536692 — — 2 6.47
CHEMBL4437091 — — 2 6.09
CHEMBL4438837 — — 2 5.96
CHEMBL3770051 — — 2 5.85
CHEMBL4465363 — — 2 5.85
CHEMBL4543416 — — 2 5.64
CHEMBL4591778 — — 2 5.62
CHEMBL4441587 — — 2 5.39
CHEMBL4529351 — — 2 5.35
CHEMBL4563604 — — 2 5.21
CHEMBL4572873 — — 2 5.21
CHEMBL4592738 — — 2 5.20
CHEMBL4556395 — — 2 5.18
CHEMBL4556439 — — 2 5.12
CHEMBL4465665 — — 2 5.07
CHEMBL4452902 — — 2 5.06
CHEMBL4581160 — — 2 5.04
CHEMBL3770211 — — 2 4.92
CHEMBL4437574 — — 2 4.85
CHEMBL4516636 — — 2 -
CHEMBL4458587 — — 2 -
CHEMBL3771115 — — 2 -
CHEMBL4463640 — — 2 -
CHEMBL4449693 — — 2 -
CHEMBL4584968 — — 1 -
CHEMBL4527411 — — 2 -
CHEMBL4539203 — — 2 -
CHEMBL4541441 — — 2 -
CHEMBL4587253 — — 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4446046 — IC50 = 120.0 nM 6.92
CHEMBL4536692 — Ki = 340.0 nM 6.47
CHEMBL4437091 — Ki = 810.0 nM 6.09
CHEMBL4438837 — Ki = 1100.0 nM 5.96
CHEMBL3770051 — Ki = 1400.0 nM 5.85
CHEMBL4465363 — Ki = 1400.0 nM 5.85
CHEMBL4543416 — Ki = 2300.0 nM 5.64
CHEMBL4591778 — Ki = 2400.0 nM 5.62
CHEMBL4536692 — IC50 = 2500.0 nM 5.60
CHEMBL4441587 — Ki = 4100.0 nM 5.39
CHEMBL4529351 — Ki = 4500.0 nM 5.35
CHEMBL4437091 — IC50 = 5900.0 nM 5.23
CHEMBL4572873 — Ki = 6200.0 nM 5.21
CHEMBL4563604 — Ki = 6100.0 nM 5.21
CHEMBL4592738 — Ki = 6300.0 nM 5.20
CHEMBL4556395 — Ki = 6600.0 nM 5.18
CHEMBL4556439 — Ki = 7500.0 nM 5.12
CHEMBL4438837 — IC50 = 8100.0 nM 5.09
CHEMBL4465665 — Ki = 8600.0 nM 5.07
CHEMBL4452902 — Ki = 8700.0 nM 5.06
CHEMBL4581160 — Ki = 9100.0 nM 5.04
CHEMBL3770051 — IC50 = 10000.0 nM 5.00
CHEMBL4465363 — IC50 = 10500.0 nM 4.98
CHEMBL3770211 — Ki = 12000.0 nM 4.92
CHEMBL4437574 — Ki = 14200.0 nM 4.85
CHEMBL4543416 — IC50 = 16700.0 nM 4.78
CHEMBL4591778 — IC50 = 17100.0 nM 4.77
CHEMBL4441587 — IC50 = 29500.0 nM 4.53
CHEMBL4529351 — IC50 = 32800.0 nM 4.48
CHEMBL4563604 — IC50 = 44000.0 nM 4.36
CHEMBL4592738 — IC50 = 45600.0 nM 4.34
CHEMBL4572873 — IC50 = 45200.0 nM 4.34
CHEMBL4556395 — IC50 = 47900.0 nM 4.32
CHEMBL4556439 — IC50 = 54500.0 nM 4.26
CHEMBL4465665 — IC50 = 62100.0 nM 4.21
CHEMBL4452902 — IC50 = 63400.0 nM 4.20
CHEMBL4581160 — IC50 = 65900.0 nM 4.18
CHEMBL3770211 — IC50 = 87000.0 nM 4.06
CHEMBL3771115 — Ki > 27600.0 nM -
CHEMBL3771115 — IC50 > 200000.0 nM -
CHEMBL3103547 — Ki > 27600.0 nM -
CHEMBL4469491 — IC50 - — -
CHEMBL3103547 — IC50 > 200000.0 nM -
CHEMBL4436144 — IC50 > 200000.0 nM -
CHEMBL4436144 — Ki > 27600.0 nM -
CHEMBL4584968 — IC50 - — -
CHEMBL4527411 — Ki > 27600.0 nM -
CHEMBL4527411 — IC50 > 200000.0 nM -
CHEMBL4458587 — IC50 > 200000.0 nM -
CHEMBL4458587 — Ki > 27600.0 nM -