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Assay Detail

CHEMBL1012730

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Binding
Inhibition of human recombinant caspase 3
30
Total Activities
30
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Caspase-3 (CHEMBL2334)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Fluorinated isatin derivatives. Part 1: synthesis of new N-substituted (S)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatins as potent caspase-3 and -7 inhibitors.
Podichetty AK, Faust A, Kopka K, Wagner S, Schober O, Schäfers M, Haufe G.
Bioorg Med Chem (2009) 17 : 2680 -2688
PubMed 19299147 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 30 6.80 8.62

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL216819 1 8.62
CHEMBL493926 1 8.28
CHEMBL515299 1 7.88
CHEMBL494141 1 7.60
CHEMBL521840 1 7.54
CHEMBL522148 1 7.52
CHEMBL494140 1 7.39
CHEMBL493127 1 7.37
CHEMBL492518 1 7.25
CHEMBL483408 1 7.18
CHEMBL522324 1 7.11
CHEMBL521822 1 7.09
CHEMBL493123 1 7.08
CHEMBL493927 1 7.05
CHEMBL60190 1 6.92
CHEMBL521839 1 6.74
CHEMBL492322 1 6.73
CHEMBL493124 1 6.72
CHEMBL475040 1 6.67
CHEMBL492718 1 6.64
CHEMBL475859 1 6.45
CHEMBL524194 1 6.30
CHEMBL523710 1 5.74
CHEMBL494737 1 5.29
CHEMBL494539 1 5.22
CHEMBL492936 1 5.03
CHEMBL492735 1 4.21
CHEMBL475020 1 -
CHEMBL475858 1 -
CHEMBL522191 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL216819 IC50 = 2.4 nM 8.62
CHEMBL493926 IC50 = 5.3 nM 8.28
CHEMBL515299 IC50 = 13.3 nM 7.88
CHEMBL494141 IC50 = 25.0 nM 7.60
CHEMBL521840 IC50 = 29.0 nM 7.54
CHEMBL522148 IC50 = 30.0 nM 7.52
CHEMBL494140 IC50 = 41.0 nM 7.39
CHEMBL493127 IC50 = 43.0 nM 7.37
CHEMBL492518 IC50 = 56.0 nM 7.25
CHEMBL483408 IC50 = 66.0 nM 7.18
CHEMBL522324 IC50 = 78.0 nM 7.11
CHEMBL521822 IC50 = 82.0 nM 7.09
CHEMBL493123 IC50 = 83.0 nM 7.08
CHEMBL493927 IC50 = 90.0 nM 7.05
CHEMBL60190 IC50 = 120.0 nM 6.92
CHEMBL521839 IC50 = 183.0 nM 6.74
CHEMBL492322 IC50 = 187.0 nM 6.73
CHEMBL493124 IC50 = 191.0 nM 6.72
CHEMBL475040 IC50 = 213.0 nM 6.67
CHEMBL492718 IC50 = 230.0 nM 6.64
CHEMBL475859 IC50 = 359.0 nM 6.45
CHEMBL524194 IC50 = 499.0 nM 6.30
CHEMBL523710 IC50 = 1840.0 nM 5.74
CHEMBL494737 IC50 = 5120.0 nM 5.29
CHEMBL494539 IC50 = 6080.0 nM 5.22
CHEMBL492936 IC50 = 9430.0 nM 5.03
CHEMBL492735 IC50 = 60900.0 nM 4.21
CHEMBL475020 IC50 > 100000.0 nM -
CHEMBL475858 IC50 > 100000.0 nM -
CHEMBL522191 IC50 > 100000.0 nM -