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Assay Detail

CHEMBL3587509

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Binding
Inhibition of Pseudomonas aeruginosa beta-lactamase PDC3 expressed in Escherichia coli BL21 (DE3) RP CodonPlus 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 Pseudomonas aeruginosa
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 6.25 7.46
Ki 5 7.51 8.40

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3586553 — — 3 8.40
CHEMBL3586556 — — 3 8.10
CHEMBL1277225 — — 3 7.89
CHEMBL3586551 — — 2 6.92
CHEMBL3586558 — — 3 6.79
CHEMBL3586548 — — 2 6.64
CHEMBL3586554 — — 2 6.60
CHEMBL3586557 — — 2 6.55
CHEMBL3586555 — — 2 6.52
CHEMBL3586550 — — 2 6.52
CHEMBL3586552 — — 2 6.40
CHEMBL320049 — — 3 6.39
CHEMBL3586549 — — 2 5.93
CHEMBL3586546 — — 2 5.30
CHEMBL3586547 — — 2 5.03
CHEMBL3586545 — — 2 4.74

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3586553 — Ki = 4.0 nM 8.40
CHEMBL3586556 — Ki = 8.0 nM 8.10
CHEMBL1277225 — Ki = 13.0 nM 7.89
CHEMBL3586553 — IC50 = 35.0 nM 7.46
CHEMBL3586556 — IC50 = 67.0 nM 7.17
CHEMBL3586551 — IC50 = 120.0 nM 6.92
CHEMBL1277225 — IC50 = 150.0 nM 6.82
CHEMBL3586558 — Ki = 164.0 nM 6.79
CHEMBL3586548 — IC50 = 230.0 nM 6.64
CHEMBL3586554 — IC50 = 250.0 nM 6.60
CHEMBL3586557 — IC50 = 280.0 nM 6.55
CHEMBL3586550 — IC50 = 300.0 nM 6.52
CHEMBL3586555 — IC50 = 300.0 nM 6.52
CHEMBL3586552 — IC50 = 400.0 nM 6.40
CHEMBL320049 — Ki = 411.0 nM 6.39
CHEMBL3586549 — IC50 = 1180.0 nM 5.93
CHEMBL3586558 — IC50 = 1300.0 nM 5.89
CHEMBL320049 — IC50 = 3300.0 nM 5.48
CHEMBL3586546 — IC50 = 5000.0 nM 5.30
CHEMBL3586547 — IC50 = 9300.0 nM 5.03
CHEMBL3586545 — IC50 = 18400.0 nM 4.74
CHEMBL3586546 — Inhibition - % -
CHEMBL3586547 — Inhibition - % -
CHEMBL3586548 — Inhibition - % -
CHEMBL3586549 — Inhibition - % -
CHEMBL3586550 — Inhibition - % -
CHEMBL3586551 — Inhibition - % -
CHEMBL3586552 — Inhibition - % -
CHEMBL3586553 — Inhibition - % -
CHEMBL3586545 — Inhibition - % -
CHEMBL3586555 — Inhibition - % -
CHEMBL3586556 — Inhibition - % -
CHEMBL3586557 — Inhibition - % -
CHEMBL320049 — Inhibition - % -
CHEMBL1277225 — Inhibition - % -
CHEMBL3586558 — Inhibition - % -
CHEMBL3586554 — Inhibition - % -