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Assay Detail

CHEMBL5239614

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

Binding
Inhibition of GST-tagged bacterial beta-lactamase NMD-1 expressed in Escherichia coli BL21(DE3) using CCF2-FA as substrate by fluorescence assay
22
Total Activities
21
Compounds Tested
1
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

Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates.
Mandal M, Xiao L, Pan W, Scapin G, Li G, Tang H, Yang SW, Pan J, Root Y, de Jesus RK, Yang C, Prosise W, Dayananth P, Mirza A, Therien AG, Young K, Flattery A, Garlisi C, Zhang R, Chu D, Sheth P, Chu I, Wu J, Markgraf C, Kim HY, Painter R, Mayhood TW, DiNunzio E, Wyss DF, Buevich AV, Fischmann T, Pasternak A, Dong S, Hicks JD, Villafania A, Liang L, Murgolo N, Black T, Hagmann WK, Tata J, Parmee ER, Weber AE, Su J, Tang H.
J Med Chem (2022) 65 : 16234 -16251
PubMed 36475645 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 22 7.47 9.61

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5290687 1 9.61
CHEMBL5266666 1 8.62
CHEMBL5284114 1 8.52
CHEMBL5279817 1 8.48
CHEMBL61916 1 8.46
CHEMBL5284444 2 8.43
CHEMBL5278580 1 7.68
CHEMBL5268582 1 7.62
CHEMBL5267155 1 7.46
CHEMBL5279683 1 7.46
CHEMBL5287735 1 7.46
CHEMBL5271066 1 7.44
CHEMBL5274841 1 7.44
CHEMBL5277681 1 7.39
CHEMBL4745006 1 7.36
CHEMBL26514 1 7.28
CHEMBL5285307 1 6.15
CHEMBL5281100 1 5.50
CHEMBL5291449 1 5.30
CHEMBL5285776 1 4.80
CHEMBL5268806 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5290687 IC50 = 0.243 nM 9.61
CHEMBL5266666 IC50 = 2.4 nM 8.62
CHEMBL5284114 IC50 = 3.0 nM 8.52
CHEMBL5279817 IC50 = 3.3 nM 8.48
CHEMBL61916 IC50 = 3.5 nM 8.46
CHEMBL5284444 IC50 = 3.7 nM 8.43
CHEMBL5284444 IC50 = 3.9 nM 8.41
CHEMBL5278580 IC50 = 21.0 nM 7.68
CHEMBL5268582 IC50 = 24.0 nM 7.62
CHEMBL5267155 IC50 = 35.0 nM 7.46
CHEMBL5279683 IC50 = 35.0 nM 7.46
CHEMBL5287735 IC50 = 35.0 nM 7.46
CHEMBL5271066 IC50 = 36.0 nM 7.44
CHEMBL5274841 IC50 = 36.0 nM 7.44
CHEMBL5277681 IC50 = 41.0 nM 7.39
CHEMBL4745006 IC50 = 44.0 nM 7.36
CHEMBL26514 IC50 = 52.0 nM 7.28
CHEMBL5285307 IC50 = 704.0 nM 6.15
CHEMBL5281100 IC50 = 3167.0 nM 5.50
CHEMBL5291449 IC50 = 4965.0 nM 5.30
CHEMBL5285776 IC50 = 15800.0 nM 4.80
CHEMBL5268806 IC50 > 200.0 nM -