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Assay Detail

CHEMBL4121745

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

Binding
Inhibition of recombinant bacterial NDM1 expressed in Escherichia coli BL21 (DE3) cells using FC5 as fluorogenic reporter substrate preincubated at 10 to 300 mins followed by substrate addition
ChEMBL ↗
59
Total Activities
59
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

Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-β-lactamases.
Zhang D, Markoulides MS, Stepanovs D, Rydzik AM, El-Hussein A, Bon C, Kamps JJAG, Umland KD, Collins PM, Cahill ST, Wang DY, von Delft F, Brem J, McDonough MA, Schofield CJ.
Bioorg Med Chem (2018) 26 : 2928 -2936
PubMed 29655609 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 59 5.01 6.22

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4127736 — — 1 6.22
CHEMBL4128221 — — 1 5.96
CHEMBL4126149 — — 1 5.77
CHEMBL3792857 — — 1 5.62
CHEMBL4126465 — — 1 5.48
CHEMBL4129233 — — 1 5.43
CHEMBL4127821 — — 1 5.36
CHEMBL4129411 — — 1 5.31
CHEMBL3221930 — — 1 5.30
CHEMBL3221925 — — 1 5.30
CHEMBL3221923 — — 1 5.29
CHEMBL3221932 — — 1 5.20
CHEMBL4095898 — — 1 5.10
CHEMBL4129039 — — 1 5.09
CHEMBL4126927 — — 1 4.96
CHEMBL3234727 — — 1 4.89
CHEMBL3221922 — — 1 4.89
CHEMBL4068716 — — 1 4.81
CHEMBL3221924 — — 1 4.79
CHEMBL4125829 — — 1 4.67
CHEMBL4126874 — — 1 4.57
CHEMBL4127836 — — 1 4.55
CHEMBL1559342 — — 1 4.55
CHEMBL4128976 — — 1 4.48
CHEMBL4126979 — — 1 4.41
CHEMBL4126589 — — 1 4.40
CHEMBL4125965 — — 1 4.34
CHEMBL4125695 — — 1 4.33
CHEMBL4129483 — — 1 4.31
CHEMBL4128032 — — 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4127736 — IC50 = 600.0 nM 6.22
CHEMBL4128221 — IC50 = 1100.0 nM 5.96
CHEMBL4126149 — IC50 = 1700.0 nM 5.77
CHEMBL3792857 — IC50 = 2400.0 nM 5.62
CHEMBL4126465 — IC50 = 3300.0 nM 5.48
CHEMBL4129233 — IC50 = 3700.0 nM 5.43
CHEMBL4127821 — IC50 = 4400.0 nM 5.36
CHEMBL4129411 — IC50 = 4900.0 nM 5.31
CHEMBL3221930 — IC50 = 5000.0 nM 5.30
CHEMBL3221925 — IC50 = 5000.0 nM 5.30
CHEMBL3221923 — IC50 = 5100.0 nM 5.29
CHEMBL3221932 — IC50 = 6300.0 nM 5.20
CHEMBL4095898 — IC50 = 7900.0 nM 5.10
CHEMBL4129039 — IC50 = 8200.0 nM 5.09
CHEMBL4126927 — IC50 = 11100.0 nM 4.96
CHEMBL3234727 — IC50 = 12900.0 nM 4.89
CHEMBL3221922 — IC50 = 12900.0 nM 4.89
CHEMBL4068716 — IC50 = 15600.0 nM 4.81
CHEMBL3221924 — IC50 = 16200.0 nM 4.79
CHEMBL4125829 — IC50 = 21500.0 nM 4.67
CHEMBL4126874 — IC50 = 26700.0 nM 4.57
CHEMBL4127836 — IC50 = 28000.0 nM 4.55
CHEMBL1559342 — IC50 = 28400.0 nM 4.55
CHEMBL4128976 — IC50 = 32800.0 nM 4.48
CHEMBL4126979 — IC50 = 38700.0 nM 4.41
CHEMBL4126589 — IC50 = 40100.0 nM 4.40
CHEMBL4125965 — IC50 = 45300.0 nM 4.34
CHEMBL4125695 — IC50 = 46500.0 nM 4.33
CHEMBL4129483 — IC50 = 48900.0 nM 4.31
CHEMBL4126745 — IC50 > 50000.0 nM -
CHEMBL1631303 — IC50 > 50000.0 nM -
CHEMBL4129136 — IC50 > 50000.0 nM -
CHEMBL1605498 — IC50 > 50000.0 nM -
CHEMBL4130010 — IC50 > 50000.0 nM -
CHEMBL4126663 — IC50 > 50000.0 nM -
CHEMBL4128891 — IC50 > 50000.0 nM -
CHEMBL66070 — IC50 > 50000.0 nM -
CHEMBL4127551 — IC50 > 50000.0 nM -
CHEMBL4129315 — IC50 > 50000.0 nM -
CHEMBL4129450 — IC50 > 50000.0 nM -
CHEMBL1173347 — IC50 > 50000.0 nM -
CHEMBL4125789 — IC50 > 50000.0 nM -
CHEMBL4129931 — IC50 > 50000.0 nM -
CHEMBL2062754 — IC50 > 50000.0 nM -
CHEMBL4126798 — IC50 > 50000.0 nM -
CHEMBL4128178 — IC50 > 50000.0 nM -
CHEMBL4126603 — IC50 > 50000.0 nM -
CHEMBL4127204 — IC50 > 50000.0 nM -
CHEMBL4129281 — IC50 > 50000.0 nM -
CHEMBL4128032 — IC50 > 50000.0 nM -