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Assay Detail

CHEMBL4019026

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

Binding
Inhibition of bacterial MBP-fused NDM1 expressed in Escherichia coli BL21(DE3) ausing fluorocillin as substrate preincubated for 20 mins followed by substrate addition measured at 1 sec time interval for 25 mins by fluorescence assay
15
Total Activities
15
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

Dipicolinic Acid Derivatives as Inhibitors of New Delhi Metallo-β-lactamase-1.
Chen AY, Thomas PW, Stewart AC, Bergstrom A, Cheng Z, Miller C, Bethel CR, Marshall SH, Credille CV, Riley CL, Page RC, Bonomo RA, Crowder MW, Tierney DL, Fast W, Cohen SM.
J Med Chem (2017) 60 : 7267 -7283
PubMed 28809565 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 15 6.47 7.10

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4068259 1 7.10
CHEMBL4070304 1 6.89
CHEMBL4104854 1 6.89
CHEMBL4100527 1 6.72
CHEMBL4082511 1 6.70
CHEMBL4086985 1 6.42
CHEMBL4067232 1 6.41
CHEMBL284104 DIPICOLINIC ACID 1 6.39
CHEMBL4097146 1 6.37
CHEMBL4089437 1 6.37
CHEMBL4079128 1 6.30
CHEMBL4094681 1 6.27
CHEMBL4105182 1 6.23
CHEMBL4097481 1 6.03
CHEMBL4097855 1 5.97

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4068259 IC50 = 80.0 nM 7.10
CHEMBL4070304 IC50 = 130.0 nM 6.89
CHEMBL4104854 IC50 = 130.0 nM 6.89
CHEMBL4100527 IC50 = 190.0 nM 6.72
CHEMBL4082511 IC50 = 200.0 nM 6.70
CHEMBL4086985 IC50 = 380.0 nM 6.42
CHEMBL4067232 IC50 = 390.0 nM 6.41
CHEMBL284104 DIPICOLINIC ACID IC50 = 410.0 nM 6.39
CHEMBL4097146 IC50 = 430.0 nM 6.37
CHEMBL4089437 IC50 = 430.0 nM 6.37
CHEMBL4079128 IC50 = 500.0 nM 6.30
CHEMBL4094681 IC50 = 540.0 nM 6.27
CHEMBL4105182 IC50 = 590.0 nM 6.23
CHEMBL4097481 IC50 = 930.0 nM 6.03
CHEMBL4097855 IC50 = 1070.0 nM 5.97