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Assay Detail

CHEMBL4842189

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

Binding
Inhibition of Escherichia coli recombinant his-tagged DHDPS using (S)-aspartate-semialdehyde as a substrate preincubated for 12 mins followed by substrate addition by UV-Vis spectrophotometer based coupled DHDPS-DHDPR assay
49
Total Activities
49
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Escherichia coli
Confidence 0 — Uncurated / Unknown
Curated By Autocuration

Target

Unchecked (CHEMBL612545)
Type UNCHECKED

Publication

Synthesis and structure-activity relationship studies of 2,4-thiazolidinediones and analogous heterocycles as inhibitors of dihydrodipicolinate synthase.
Christoff RM, Soares da Costa TP, Bayat S, Holien JK, Perugini MA, Abbott BM.
Bioorg Med Chem (2021) 52 : 116518 -116518
PubMed 34826680 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 49 4.14 4.41

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4857694 1 4.41
CHEMBL4870896 1 4.34
CHEMBL2263549 1 4.33
CHEMBL4878800 1 4.23
CHEMBL4855538 1 4.18
CHEMBL4854833 1 4.17
CHEMBL4860391 1 4.17
CHEMBL4852051 1 4.16
CHEMBL4876751 1 4.15
CHEMBL1645382 1 4.15
CHEMBL85496 1 4.15
CHEMBL4851437 1 4.14
CHEMBL4871255 1 4.14
CHEMBL4862909 1 4.13
CHEMBL142385 1 4.12
CHEMBL4856954 1 4.10
CHEMBL4858261 1 4.10
CHEMBL4852655 1 4.10
CHEMBL2259676 1 4.10
CHEMBL4876769 1 4.08
CHEMBL4876904 1 4.06
CHEMBL4861787 1 4.05
CHEMBL4864672 1 4.05
CHEMBL4857652 1 4.04
CHEMBL4861407 1 4.03
CHEMBL4852496 1 4.01
CHEMBL4857868 1 4.01
CHEMBL4866997 1 -
CHEMBL4861910 1 -
CHEMBL4871089 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4857694 IC50 = 39000.0 nM 4.41
CHEMBL4870896 IC50 = 46000.0 nM 4.34
CHEMBL2263549 IC50 = 47000.0 nM 4.33
CHEMBL4878800 IC50 = 59000.0 nM 4.23
CHEMBL4855538 IC50 = 66000.0 nM 4.18
CHEMBL4854833 IC50 = 67000.0 nM 4.17
CHEMBL4860391 IC50 = 68000.0 nM 4.17
CHEMBL4852051 IC50 = 70000.0 nM 4.16
CHEMBL4876751 IC50 = 71000.0 nM 4.15
CHEMBL85496 IC50 = 71000.0 nM 4.15
CHEMBL1645382 IC50 = 71000.0 nM 4.15
CHEMBL4851437 IC50 = 72000.0 nM 4.14
CHEMBL4871255 IC50 = 72000.0 nM 4.14
CHEMBL4862909 IC50 = 74000.0 nM 4.13
CHEMBL142385 IC50 = 76000.0 nM 4.12
CHEMBL4856954 IC50 = 80000.0 nM 4.10
CHEMBL2259676 IC50 = 80000.0 nM 4.10
CHEMBL4852655 IC50 = 80000.0 nM 4.10
CHEMBL4858261 IC50 = 80000.0 nM 4.10
CHEMBL4876769 IC50 = 84000.0 nM 4.08
CHEMBL4876904 IC50 = 87000.0 nM 4.06
CHEMBL4861787 IC50 = 89000.0 nM 4.05
CHEMBL4864672 IC50 = 90000.0 nM 4.05
CHEMBL4857652 IC50 = 92000.0 nM 4.04
CHEMBL4861407 IC50 = 94000.0 nM 4.03
CHEMBL4857868 IC50 = 98000.0 nM 4.01
CHEMBL4852496 IC50 = 97000.0 nM 4.01
CHEMBL4858562 IC50 = 162000.0 nM -
CHEMBL4873111 IC50 = 108000.0 nM -
CHEMBL4851193 IC50 = 116000.0 nM -
CHEMBL4864884 IC50 = 110000.0 nM -
CHEMBL4866144 IC50 = 122000.0 nM -
CHEMBL4875881 IC50 = 153000.0 nM -
CHEMBL2263550 IC50 > 500000.0 nM -
CHEMBL1540184 IC50 = 138000.0 nM -
CHEMBL4863908 IC50 = 316000.0 nM -
CHEMBL486917 IC50 = 103000.0 nM -
CHEMBL4858699 IC50 > 500000.0 nM -
CHEMBL1645383 IC50 = 110000.0 nM -
CHEMBL4876179 IC50 = 222000.0 nM -
CHEMBL1631303 IC50 = 540000.0 nM -
CHEMBL38043 IC50 = 124000.0 nM -
CHEMBL566474 IC50 = 156000.0 nM -
CHEMBL1956800 IC50 = 323000.0 nM -
CHEMBL224521 IC50 > 500000.0 nM -
CHEMBL4851977 IC50 = 137000.0 nM -
CHEMBL4871089 IC50 = 121000.0 nM -
CHEMBL4861910 IC50 = 125000.0 nM -
CHEMBL4866997 IC50 > 250000.0 nM -