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Assay Detail

CHEMBL4027941

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

Binding
Inhibition of recombinant bacterial VIM-2 expressed in Escherichia coli BL21 (DE3) cells using FC4 as substrate preincubated for 10 mins prior to substrate addition in presence of Triton X-100 by fluorescence-based assay
17
Total Activities
17
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

In Silico Fragment-Based Design Identifies Subfamily B1 Metallo-β-lactamase Inhibitors.
Cain R, Brem J, Zollman D, McDonough MA, Johnson RM, Spencer J, Makena A, Abboud MI, Cahill S, Lee SY, McHugh PJ, Schofield CJ, Fishwick CWG.
J Med Chem (2018) 61 : 1255 -1260
PubMed 29271657 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 17 6.82 7.40

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4083640 1 7.40
CHEMBL4073235 1 7.16
CHEMBL4092378 1 7.16
CHEMBL4070942 1 7.00
CHEMBL4070776 1 7.00
CHEMBL4061012 1 6.82
CHEMBL4098147 1 6.77
CHEMBL4088105 1 6.77
CHEMBL4096976 1 6.75
CHEMBL4077989 1 6.75
CHEMBL4088063 1 6.70
CHEMBL4076158 1 6.64
CHEMBL4065946 1 6.64
CHEMBL4060980 1 6.44
CHEMBL4069021 1 6.35
CHEMBL4089287 1 -
CHEMBL4079094 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4083640 IC50 = 40.0 nM 7.40
CHEMBL4073235 IC50 = 70.0 nM 7.16
CHEMBL4092378 IC50 = 70.0 nM 7.16
CHEMBL4070942 IC50 = 100.0 nM 7.00
CHEMBL4070776 IC50 = 100.0 nM 7.00
CHEMBL4061012 IC50 = 150.0 nM 6.82
CHEMBL4098147 IC50 = 170.0 nM 6.77
CHEMBL4088105 IC50 = 170.0 nM 6.77
CHEMBL4096976 IC50 = 180.0 nM 6.75
CHEMBL4077989 IC50 = 180.0 nM 6.75
CHEMBL4088063 IC50 = 200.0 nM 6.70
CHEMBL4076158 IC50 = 230.0 nM 6.64
CHEMBL4065946 IC50 = 230.0 nM 6.64
CHEMBL4060980 IC50 = 360.0 nM 6.44
CHEMBL4069021 IC50 = 450.0 nM 6.35
CHEMBL4089287 IC50 > 100000.0 nM -
CHEMBL4079094 IC50 > 100000.0 nM -