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Assay Detail

CHEMBL4121746

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

Binding
Inhibition of recombinant full-length bacterial His6-tagged SPM1 (29 to 276 residues) expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay
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 6.08 8.37

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4127821 — — 1 8.37
CHEMBL4127736 — — 1 8.00
CHEMBL3792857 — — 1 7.70
CHEMBL4129411 — — 1 7.70
CHEMBL3234727 — — 1 7.30
CHEMBL4128221 — — 1 7.22
CHEMBL4125829 — — 1 7.22
CHEMBL4126979 — — 1 7.16
CHEMBL4126465 — — 1 7.00
CHEMBL4129222 — — 1 7.00
CHEMBL3221923 — — 1 7.00
CHEMBL4068716 — — 1 7.00
CHEMBL4126798 — — 1 6.70
CHEMBL4125695 — — 1 6.70
CHEMBL1559342 — — 1 6.70
CHEMBL4129233 — — 1 6.52
CHEMBL4128976 — — 1 6.52
CHEMBL3221922 — — 1 6.52
CHEMBL4095898 — — 1 6.52
CHEMBL4126927 — — 1 6.40
CHEMBL4129450 — — 1 6.30
CHEMBL4129039 — — 1 6.22
CHEMBL4125965 — — 1 6.10
CHEMBL4129136 — — 1 6.00
CHEMBL4128796 — — 1 5.92
CHEMBL4127204 — — 1 5.89
CHEMBL3221925 — — 1 5.85
CHEMBL4126589 — — 1 5.82
CHEMBL4126745 — — 1 5.70
CHEMBL3221932 — — 1 5.64

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4127821 — IC50 = 4.3 nM 8.37
CHEMBL4127736 — IC50 = 10.0 nM 8.00
CHEMBL4129411 — IC50 = 20.0 nM 7.70
CHEMBL3792857 — IC50 = 20.0 nM 7.70
CHEMBL3234727 — IC50 = 50.0 nM 7.30
CHEMBL4128221 — IC50 = 60.0 nM 7.22
CHEMBL4125829 — IC50 = 60.0 nM 7.22
CHEMBL4126979 — IC50 = 70.0 nM 7.16
CHEMBL4126465 — IC50 = 100.0 nM 7.00
CHEMBL4068716 — IC50 = 100.0 nM 7.00
CHEMBL3221923 — IC50 = 100.0 nM 7.00
CHEMBL4129222 — IC50 = 100.0 nM 7.00
CHEMBL1559342 — IC50 = 200.0 nM 6.70
CHEMBL4125695 — IC50 = 200.0 nM 6.70
CHEMBL4126798 — IC50 = 200.0 nM 6.70
CHEMBL4129233 — IC50 = 300.0 nM 6.52
CHEMBL4095898 — IC50 = 300.0 nM 6.52
CHEMBL3221922 — IC50 = 300.0 nM 6.52
CHEMBL4128976 — IC50 = 300.0 nM 6.52
CHEMBL4126927 — IC50 = 400.0 nM 6.40
CHEMBL4129450 — IC50 = 500.0 nM 6.30
CHEMBL4129039 — IC50 = 600.0 nM 6.22
CHEMBL4125965 — IC50 = 800.0 nM 6.10
CHEMBL4129136 — IC50 = 1000.0 nM 6.00
CHEMBL4128796 — IC50 = 1200.0 nM 5.92
CHEMBL4127204 — IC50 = 1300.0 nM 5.89
CHEMBL3221925 — IC50 = 1400.0 nM 5.85
CHEMBL4126589 — IC50 = 1500.0 nM 5.82
CHEMBL4126745 — IC50 = 2000.0 nM 5.70
CHEMBL3221932 — IC50 = 2300.0 nM 5.64
CHEMBL4126663 — IC50 = 2800.0 nM 5.55
CHEMBL4126149 — IC50 = 3200.0 nM 5.50
CHEMBL3221924 — IC50 = 3500.0 nM 5.46
CHEMBL4126780 — IC50 = 3500.0 nM 5.46
CHEMBL3221930 — IC50 = 4100.0 nM 5.39
CHEMBL4128032 — IC50 = 4800.0 nM 5.32
CHEMBL4129315 — IC50 = 8100.0 nM 5.09
CHEMBL4130010 — IC50 = 8800.0 nM 5.06
CHEMBL4127980 — IC50 = 8800.0 nM 5.06
CHEMBL1605498 — IC50 = 9800.0 nM 5.01
CHEMBL4129749 — IC50 = 13900.0 nM 4.86
CHEMBL4129931 — IC50 = 16600.0 nM 4.78
CHEMBL4126842 — IC50 = 25100.0 nM 4.60
CHEMBL4129281 — IC50 = 32100.0 nM 4.49
CHEMBL4128891 — IC50 = 36600.0 nM 4.44
CHEMBL2062754 — IC50 = 39700.0 nM 4.40
CHEMBL1451326 — IC50 = 42700.0 nM 4.37
CHEMBL1173347 — IC50 > 50000.0 nM -
CHEMBL4130192 — IC50 > 50000.0 nM -
CHEMBL4128178 — IC50 > 50000.0 nM -