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Assay Detail

CHEMBL891324

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Binding
Inhibition of ICE
23
Total Activities
23
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-1 (CHEMBL4801)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Synthesis and evaluation of unsaturated caprolactams as interleukin-1beta converting enzyme (ICE) inhibitors.
Wang Y, O'Neil SV, Wos JA, Oppong KA, Laufersweiler MC, Soper DL, Ellis CD, Baize MW, Fancher AN, Lu W, Suchanek MK, Wang RL, Schwecke WP, Cruze CA, Buchalova M, Belkin M, De B, Demuth TP.
Bioorg Med Chem (2007) 15 : 1311 -1322
PubMed 17127070 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 23 8.06 9.00

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL411178 1 9.00
CHEMBL268772 1 9.00
CHEMBL394351 1 9.00
CHEMBL243823 1 8.70
CHEMBL397184 1 8.70
CHEMBL411759 1 8.52
CHEMBL242298 1 8.52
CHEMBL437105 VRT-18858 -1.0 1 8.40
CHEMBL396534 1 8.40
CHEMBL411758 1 8.15
CHEMBL244229 1 8.10
CHEMBL397990 1 7.96
CHEMBL242937 1 7.89
CHEMBL242509 1 7.85
CHEMBL242727 1 7.82
CHEMBL242938 1 7.72
CHEMBL242510 1 7.70
CHEMBL442714 1 7.66
CHEMBL396535 1 7.57
CHEMBL242726 1 7.54
CHEMBL429646 1 7.28
CHEMBL242299 1 7.11
CHEMBL242511 1 6.78

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL411178 IC50 = 1.0 nM 9.00
CHEMBL268772 IC50 = 1.0 nM 9.00
CHEMBL394351 IC50 = 1.0 nM 9.00
CHEMBL243823 IC50 = 2.0 nM 8.70
CHEMBL397184 IC50 = 2.0 nM 8.70
CHEMBL411759 IC50 = 3.0 nM 8.52
CHEMBL242298 IC50 = 3.0 nM 8.52
CHEMBL437105 VRT-18858 IC50 = 4.0 nM 8.40
CHEMBL396534 IC50 = 4.0 nM 8.40
CHEMBL411758 IC50 = 7.0 nM 8.15
CHEMBL244229 IC50 = 8.0 nM 8.10
CHEMBL397990 IC50 = 11.0 nM 7.96
CHEMBL242937 IC50 = 13.0 nM 7.89
CHEMBL242509 IC50 = 14.0 nM 7.85
CHEMBL242727 IC50 = 15.0 nM 7.82
CHEMBL242938 IC50 = 19.0 nM 7.72
CHEMBL242510 IC50 = 20.0 nM 7.70
CHEMBL442714 IC50 = 22.0 nM 7.66
CHEMBL396535 IC50 = 27.0 nM 7.57
CHEMBL242726 IC50 = 29.0 nM 7.54
CHEMBL429646 IC50 = 53.0 nM 7.28
CHEMBL242299 IC50 = 77.0 nM 7.11
CHEMBL242511 IC50 = 168.0 nM 6.78