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Assay Detail

CHEMBL818874

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Binding
Inhibitory activity against beta-lactamase
37
Total Activities
37
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Escherichia coli
Confidence 8 — Homologous single protein target
Curated By Intermediate

Target

Beta-lactamase (CHEMBL2026)
Type SINGLE PROTEIN
Organism Escherichia coli K-12

Publication

A common mechanism underlying promiscuous inhibitors from virtual and high-throughput screening.
McGovern SL, Caselli E, Grigorieff N, Shoichet BK.
J Med Chem (2002) 45 : 1712 -1722
PubMed 11931626 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 37 5.20 6.70

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL34964 1 6.70
CHEMBL49869 1 6.30
CHEMBL49498 1 5.70
CHEMBL45494 1 5.70
CHEMBL47173 1 5.70
CHEMBL48334 1 5.52
CHEMBL298301 1 5.52
CHEMBL46040 1 5.52
CHEMBL1160008 IODOPHTHALEIN 2.0 1 5.52
CHEMBL429694 CONGO RED -1.0 1 5.41
CHEMBL50 QUERCETIN 3.0 1 5.40
CHEMBL45981 1 5.40
CHEMBL48412 1 5.40
CHEMBL430923 1 5.30
CHEMBL1627394 1 5.30
CHEMBL1628078 1 5.30
CHEMBL46202 1 5.30
CHEMBL34712 1 5.30
CHEMBL48760 1 5.22
CHEMBL412073 1 5.16
CHEMBL45841 1 5.10
CHEMBL3137827 1 5.00
CHEMBL420168 1 5.00
CHEMBL296455 1 5.00
CHEMBL45343 1 5.00
CHEMBL46666 1 5.00
CHEMBL47808 1 4.82
CHEMBL298653 1 4.82
CHEMBL47626 1 4.82
CHEMBL1160160 ROSE BENGAL 1 4.80

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL34964 IC50 = 200.0 nM 6.70
CHEMBL49869 IC50 = 500.0 nM 6.30
CHEMBL45494 IC50 = 2000.0 nM 5.70
CHEMBL47173 IC50 = 2000.0 nM 5.70
CHEMBL49498 IC50 = 2000.0 nM 5.70
CHEMBL48334 IC50 = 3000.0 nM 5.52
CHEMBL298301 IC50 = 3000.0 nM 5.52
CHEMBL46040 IC50 = 3000.0 nM 5.52
CHEMBL1160008 IODOPHTHALEIN IC50 = 3000.0 nM 5.52
CHEMBL429694 CONGO RED IC50 = 3900.0 nM 5.41
CHEMBL50 QUERCETIN IC50 = 4000.0 nM 5.40
CHEMBL48412 IC50 = 4000.0 nM 5.40
CHEMBL45981 IC50 = 4000.0 nM 5.40
CHEMBL34712 IC50 = 5000.0 nM 5.30
CHEMBL46202 IC50 = 5000.0 nM 5.30
CHEMBL430923 IC50 = 5000.0 nM 5.30
CHEMBL1628078 IC50 = 5000.0 nM 5.30
CHEMBL1627394 IC50 = 5000.0 nM 5.30
CHEMBL48760 IC50 = 6000.0 nM 5.22
CHEMBL412073 IC50 = 7000.0 nM 5.16
CHEMBL45841 IC50 = 8000.0 nM 5.10
CHEMBL3137827 IC50 = 10000.0 nM 5.00
CHEMBL420168 IC50 = 10000.0 nM 5.00
CHEMBL296455 IC50 = 10000.0 nM 5.00
CHEMBL45343 IC50 = 10000.0 nM 5.00
CHEMBL46666 IC50 = 10000.0 nM 5.00
CHEMBL47626 IC50 = 15000.0 nM 4.82
CHEMBL298653 IC50 = 15000.0 nM 4.82
CHEMBL47808 IC50 = 15000.0 nM 4.82
CHEMBL1160160 ROSE BENGAL IC50 = 16000.0 nM 4.80
CHEMBL34034 IC50 = 18000.0 nM 4.75
CHEMBL50656 IC50 = 30000.0 nM 4.52
CHEMBL124855 IC50 = 50000.0 nM 4.30
CHEMBL47606 IC50 = 50000.0 nM 4.30
CHEMBL1160166 IC50 = 80000.0 nM 4.10
CHEMBL298518 IC50 = 200000.0 nM -
CHEMBL285527 IC50 > 1600000.0 nM -