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Assay Detail

CHEMBL3587510

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Binding
Inhibition of Enterobacter cloacae beta-lactamase P99 expressed in Escherichia coli AS226-51 incubated for 5 mins before nitrocefin substrate addition by spectrophotometry
ChEMBL ↗
37
Total Activities
16
Compounds Tested
3
Activity Types
0
Assay Parameters

Assay Information

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

Target

Unchecked (CHEMBL612545) ↗
Type UNCHECKED

Publication

Click Chemistry in Lead Optimization of Boronic Acids as β-Lactamase Inhibitors.
Caselli E, Romagnoli C, Vahabi R, Taracila MA, Bonomo RA, Prati F.
J Med Chem (2015) 58 : 5445 -5458
PubMed 26102369 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Inhibition 16 - -
IC50 16 6.17 7.08
Ki 5 7.31 7.85

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3586556 — — 3 7.85
CHEMBL1277225 — — 3 7.82
CHEMBL3586553 — — 3 7.64
CHEMBL3586551 — — 2 6.96
CHEMBL3586548 — — 2 6.96
CHEMBL3586558 — — 3 6.87
CHEMBL3586550 — — 2 6.82
CHEMBL3586555 — — 2 6.50
CHEMBL3586557 — — 2 6.44
CHEMBL3586554 — — 2 6.38
CHEMBL320049 — — 3 6.35
CHEMBL3586552 — — 2 6.22
CHEMBL3586549 — — 2 6.18
CHEMBL3586547 — — 2 4.88
CHEMBL3586546 — — 2 4.57
CHEMBL3586545 — — 2 4.15

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3586556 — Ki = 14.0 nM 7.85
CHEMBL1277225 — Ki = 15.0 nM 7.82
CHEMBL3586553 — Ki = 23.0 nM 7.64
CHEMBL3586556 — IC50 = 84.0 nM 7.08
CHEMBL1277225 — IC50 = 100.0 nM 7.00
CHEMBL3586551 — IC50 = 110.0 nM 6.96
CHEMBL3586548 — IC50 = 110.0 nM 6.96
CHEMBL3586558 — Ki = 134.0 nM 6.87
CHEMBL3586553 — IC50 = 140.0 nM 6.85
CHEMBL3586550 — IC50 = 150.0 nM 6.82
CHEMBL3586555 — IC50 = 320.0 nM 6.50
CHEMBL3586557 — IC50 = 360.0 nM 6.44
CHEMBL3586554 — IC50 = 420.0 nM 6.38
CHEMBL320049 — Ki = 450.0 nM 6.35
CHEMBL3586552 — IC50 = 600.0 nM 6.22
CHEMBL3586549 — IC50 = 660.0 nM 6.18
CHEMBL3586558 — IC50 = 800.0 nM 6.10
CHEMBL320049 — IC50 = 2700.0 nM 5.57
CHEMBL3586547 — IC50 = 13200.0 nM 4.88
CHEMBL3586546 — IC50 = 27100.0 nM 4.57
CHEMBL3586545 — IC50 = 71000.0 nM 4.15
CHEMBL3586545 — Inhibition - % -
CHEMBL3586547 — Inhibition - % -
CHEMBL3586548 — Inhibition - % -
CHEMBL3586549 — Inhibition - % -
CHEMBL3586550 — Inhibition - % -
CHEMBL3586551 — Inhibition - % -
CHEMBL3586552 — Inhibition - % -
CHEMBL3586546 — Inhibition - % -
CHEMBL3586554 — Inhibition - % -
CHEMBL3586555 — Inhibition - % -
CHEMBL3586556 — Inhibition - % -
CHEMBL3586557 — Inhibition - % -
CHEMBL320049 — Inhibition - % -
CHEMBL1277225 — Inhibition - % -
CHEMBL3586558 — Inhibition - % -
CHEMBL3586553 — Inhibition - % -