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Literature summary for 3.4.22.36 extracted from

  • Ellis, C.D.; Oppong, K.A.; Laufersweiler, M.C.; ONeil, S.V.; Soper, D.L.; Wang, Y.; Wos, J.A.; Fancher, A.N.; Lu, W.; Suchanek, M.K.; Wang, R.L.; De, B.; Demuth, T.P.
    Synthesis and evaluation of thiazepines as interleukin-1beta converting enzyme (ICE) inhibitors (2006), Bioorg. Med. Chem. Lett., 16, 4728-4732.
    View publication on PubMed

Inhibitors

Inhibitors Comment Organism Structure
(1S,9S)-N-[(3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl]-9-[(isoquinolin-1-ylcarbonyl)amino]-6,10-dioxooctahydro-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxamide good selectivity against the related enzymes caspase-3 and caspase-8 Homo sapiens
N-[(6R)-4-(2-[[(3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl]amino]-2-oxoethyl)-1,1-dioxido-5-oxo-1,4-thiazepan-6-yl]-1-benzothiophene-2-carboxamide good selectivity against the related enzymes caspase-3 and caspase-8 Homo sapiens
N-[(6R)-4-(2-[[(3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl]amino]-2-oxoethyl)-1,1-dioxido-5-oxo-1,4-thiazepan-6-yl]benzamide good selectivity against the related enzymes caspase-3 and caspase-8 Homo sapiens
N-[(6R)-4-(2-[[(3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl]amino]-2-oxoethyl)-1,1-dioxido-5-oxo-1,4-thiazepan-6-yl]isoquinoline-1-carboxamide good selectivity against the related enzymes caspase-3 and caspase-8 Homo sapiens
N-[(6R)-4-(2-[[(3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl]amino]-2-oxoethyl)-1,1-dioxido-5-oxo-1,4-thiazepan-6-yl]naphthalene-2-carboxamide good selectivity against the related enzymes caspase-3 and caspase-8 Homo sapiens
N-[(6R)-4-(2-[[(3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl]amino]-2-oxoethyl)-5-oxo-1,4-thiazepan-6-yl]-1-benzothiophene-2-carboxamide good selectivity against the related enzymes caspase-3 and caspase-8 Homo sapiens
N-[(6R)-4-(2-[[(3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl]amino]-2-oxoethyl)-5-oxo-1,4-thiazepan-6-yl]-3-(trifluoromethyl)benzamide good selectivity against the related enzymes caspase-3 and caspase-8 Homo sapiens
N-[(6R)-4-(2-[[(3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl]amino]-2-oxoethyl)-5-oxo-1,4-thiazepan-6-yl]benzamide good selectivity against the related enzymes caspase-3 and caspase-8 Homo sapiens
N-[(6R)-4-(2-[[(3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl]amino]-2-oxoethyl)-5-oxo-1,4-thiazepan-6-yl]isoquinoline-1-carboxamide good selectivity against the related enzymes caspase-3 and caspase-8 Homo sapiens
N-[(6R)-4-(2-[[(3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl]amino]-2-oxoethyl)-5-oxo-1,4-thiazepan-6-yl]naphthalene-2-carboxamide good selectivity against the related enzymes caspase-3 and caspase-8 Homo sapiens

Organism

Organism UniProt Comment Textmining
Homo sapiens
-
-
-

Synonyms

Synonyms Comment Organism
ICE
-
Homo sapiens
interleukin-1beta converting enzyme
-
Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.0000036
-
good selectivity against the related enzymes caspase-3 and caspase-8 Homo sapiens (1S,9S)-N-[(3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl]-9-[(isoquinolin-1-ylcarbonyl)amino]-6,10-dioxooctahydro-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxamide
0.00003
-
good selectivity against the related enzymes caspase-3 and caspase-8 Homo sapiens N-[(6R)-4-(2-[[(3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl]amino]-2-oxoethyl)-5-oxo-1,4-thiazepan-6-yl]naphthalene-2-carboxamide
0.00007
-
good selectivity against the related enzymes caspase-3 and caspase-8 Homo sapiens N-[(6R)-4-(2-[[(3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl]amino]-2-oxoethyl)-5-oxo-1,4-thiazepan-6-yl]isoquinoline-1-carboxamide
0.00008
-
good selectivity against the related enzymes caspase-3 and caspase-8 Homo sapiens N-[(6R)-4-(2-[[(3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl]amino]-2-oxoethyl)-5-oxo-1,4-thiazepan-6-yl]-1-benzothiophene-2-carboxamide
0.00013
-
good selectivity against the related enzymes caspase-3 and caspase-8 Homo sapiens N-[(6R)-4-(2-[[(3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl]amino]-2-oxoethyl)-1,1-dioxido-5-oxo-1,4-thiazepan-6-yl]isoquinoline-1-carboxamide
0.00015
-
good selectivity against the related enzymes caspase-3 and caspase-8 Homo sapiens N-[(6R)-4-(2-[[(3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl]amino]-2-oxoethyl)-1,1-dioxido-5-oxo-1,4-thiazepan-6-yl]naphthalene-2-carboxamide
0.00032
-
good selectivity against the related enzymes caspase-3 and caspase-8 Homo sapiens N-[(6R)-4-(2-[[(3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl]amino]-2-oxoethyl)-1,1-dioxido-5-oxo-1,4-thiazepan-6-yl]-1-benzothiophene-2-carboxamide
0.00035
-
good selectivity against the related enzymes caspase-3 and caspase-8 Homo sapiens N-[(6R)-4-(2-[[(3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl]amino]-2-oxoethyl)-5-oxo-1,4-thiazepan-6-yl]benzamide
0.0023
-
good selectivity against the related enzymes caspase-3 and caspase-8 Homo sapiens N-[(6R)-4-(2-[[(3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl]amino]-2-oxoethyl)-1,1-dioxido-5-oxo-1,4-thiazepan-6-yl]benzamide
9
-
good selectivity against the related enzymes caspase-3 and caspase-8 Homo sapiens N-[(6R)-4-(2-[[(3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl]amino]-2-oxoethyl)-5-oxo-1,4-thiazepan-6-yl]-3-(trifluoromethyl)benzamide