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Assay Detail

CHEMBL4818607

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

Binding
Inhibition of NDM-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis
ChEMBL ↗
43
Total Activities
43
Compounds Tested
2
Activity Types
0
Assay Parameters

Assay Information

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

Target

Unchecked (CHEMBL612545) ↗
Type UNCHECKED

Publication

Azetidinimines as a novel series of non-covalent broad-spectrum inhibitors of β-lactamases with submicromolar activities against carbapenemases KPC-2 (class A), NDM-1 (class B) and OXA-48 (class D).
Romero E, Oueslati S, Benchekroun M, D'Hollander ACA, Ventre S, Vijayakumar K, Minard C, Exilie C, Tlili L, Retailleau P, Zavala A, Elisée E, Selwa E, Nguyen LA, Pruvost A, Naas T, Iorga BI, Dodd RH, Cariou K.
Eur J Med Chem (2021) 219 : 113418 -113418
PubMed 33862516 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 41 6.24 7.46
IC50 2 - -

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4853896 — — 1 7.46
CHEMBL4851703 — — 1 7.16
CHEMBL4867398 — — 1 6.70
CHEMBL4864504 — — 1 6.66
CHEMBL4867248 — — 1 6.64
CHEMBL4848727 — — 1 6.62
CHEMBL4855265 — — 1 6.60
CHEMBL4855195 — — 1 6.57
CHEMBL4860974 — — 1 6.57
CHEMBL4855728 — — 1 6.52
CHEMBL4866009 — — 1 6.50
CHEMBL4876416 — — 1 6.48
CHEMBL4855173 — — 1 6.44
CHEMBL4864325 — — 1 6.44
CHEMBL4854293 — — 1 6.43
CHEMBL4872507 — — 1 6.43
CHEMBL4877631 — — 1 6.31
CHEMBL4872541 — — 1 6.30
CHEMBL4875502 — — 1 6.28
CHEMBL4872499 — — 1 6.24
CHEMBL4849131 — — 1 6.19
CHEMBL4876790 — — 1 6.14
CHEMBL4849406 — — 1 6.14
CHEMBL4852511 — — 1 6.07
CHEMBL4862416 — — 1 6.00
CHEMBL4862171 — — 1 6.00
CHEMBL4868540 — — 1 6.00
CHEMBL4855927 — — 1 6.00
CHEMBL4876173 — — 1 6.00
CHEMBL4848912 — — 1 5.89

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4853896 — Ki = 35.0 nM 7.46
CHEMBL4851703 — Ki = 70.0 nM 7.16
CHEMBL4867398 — Ki = 200.0 nM 6.70
CHEMBL4864504 — Ki = 220.0 nM 6.66
CHEMBL4867248 — Ki = 230.0 nM 6.64
CHEMBL4848727 — Ki = 240.0 nM 6.62
CHEMBL4855265 — Ki = 250.0 nM 6.60
CHEMBL4855195 — Ki = 270.0 nM 6.57
CHEMBL4860974 — Ki = 270.0 nM 6.57
CHEMBL4855728 — Ki = 300.0 nM 6.52
CHEMBL4866009 — Ki = 320.0 nM 6.50
CHEMBL4876416 — Ki = 330.0 nM 6.48
CHEMBL4855173 — Ki = 360.0 nM 6.44
CHEMBL4864325 — Ki = 360.0 nM 6.44
CHEMBL4872507 — Ki = 370.0 nM 6.43
CHEMBL4854293 — Ki = 370.0 nM 6.43
CHEMBL4877631 — Ki = 490.0 nM 6.31
CHEMBL4872541 — Ki = 500.0 nM 6.30
CHEMBL4875502 — Ki = 520.0 nM 6.28
CHEMBL4872499 — Ki = 580.0 nM 6.24
CHEMBL4849131 — Ki = 650.0 nM 6.19
CHEMBL4876790 — Ki = 730.0 nM 6.14
CHEMBL4849406 — Ki = 730.0 nM 6.14
CHEMBL4852511 — Ki = 860.0 nM 6.07
CHEMBL4862416 — Ki = 1000.0 nM 6.00
CHEMBL4862171 — Ki = 1000.0 nM 6.00
CHEMBL4868540 — Ki = 1000.0 nM 6.00
CHEMBL4855927 — Ki = 1000.0 nM 6.00
CHEMBL4876173 — Ki = 1000.0 nM 6.00
CHEMBL4848912 — Ki = 1300.0 nM 5.89
CHEMBL4849160 — Ki = 1900.0 nM 5.72
CHEMBL4857236 — Ki = 2040.0 nM 5.69
CHEMBL4852004 — Ki = 2390.0 nM 5.62
CHEMBL4863342 — Ki = 2400.0 nM 5.62
CHEMBL4875972 — Ki = 2400.0 nM 5.62
CHEMBL4867739 — Ki = 2400.0 nM 5.62
CHEMBL4865343 — Ki = 4620.0 nM 5.33
CHEMBL4859607 — Ki < 500.0 nM -
CHEMBL4871170 — Ki - — -
CHEMBL4852831 — Ki - — -
CHEMBL4854773 — Ki - — -
CHEMBL4846550 — IC50 < 5000.0 nM -
CHEMBL4872935 — IC50 < 5000.0 nM -