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Drug-Target Interaction

Drug

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PubChem ID:7054
Structure:
Synonyms:
114618_ALDRICH
1H-Indole-2,3-dione
2,3 Dioxoindoline
2,3-Diketoindoline
2,3-Dioxo-2,3-dihydroindole
2,3-Dioxoindoline
2,3-Indolinedione
2,3-Ketoindoline
5-21-10-00221 (Beilstein Handbook Reference)
5815-00-9
58240_FLUKA
84788-92-1
91-56-5
AB1002676
AC-10666
AC1L1NWG
AC1Q6GQJ
AG-H-75772
AI3-03111
AIDS-020002
AIDS020002
AKOS000119125
BBL002302
BB_NC-2184
BH151
BRN 0383659
C11129
CHEBI:27539
CHEMBL326294
D007510
DB02095
EINECS 202-077-8
HMS2267D18
I-7800
I0080
Indole-2,3-dione
Indoline-2,3-dione
Isatic acid lactam
Isatin
Isatine
Isatinic acid anhydride
ISN
Isotin
LS-83004
MLS001066355
MolPort-000-871-222
NCGC00246983-01
NSC 9262
NSC9262
o-Aminobenzoylformic anhydride
Pseudoisatin
S00335a
S10-0023
SBB009100
SMR000471835
STK387523
Tribulin
WLN: T56 BMVVJ
ZINC02047514

Target

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Uniprot ID:ICE_DROME
Synonyms:
Caspase
drICE
EC-Numbers:3.4.22.-
Organism:Drosophila melanogaster
Fruit fly
PDB IDs:-

Binding Affinities:

Ki: Kd:Ic 50:Ec50/Ic50:
----

References:

17154501
5-pyrrolidinylsulfonyl isatins as a potential tool for the molecular imaging of caspases in apoptosis.. Klaus Kopka; Andreas Faust; Petra Keul; Stefan Wagner; Hans-Jörg Breyholz; Carsten Höltke; Otmar Schober; Michael Schäfers; Bodo Levkau (2006) Journal of medicinal chemistry display abstract
Caspases are the unique enzymes responsible for the execution of the cell death program and may represent an exclusive target for the specific molecular imaging of apoptosis in vivo. 5-Pyrrolidinylsulfonyl isatins represent potent nonpeptidyl caspase inhibitors that may be suitable for the development of caspase binding radioligands (CBRs). (S)-5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]isatin (7) served as a lead compound for modification of its N-1-position. Corresponding pairs of N-1-substituted 2-methoxymethyl- and 2-phenoxymethylpyrrolidinyl derivatives were examined in vitro by biochemical caspase inhibition assays. All target compounds possess high in vitro caspase inhibition potencies in the nanomolar to subnanomolar range for caspase-3 (Ki=0.2-56.1 nM). As shown for compound (S)-1-(4-(2-fluoroethoxy)benzyl)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin (35), the class of N-1-substituted 5-pyrrolidinylsulfonyl isatins competitively inhibits caspase-3. All caspase inhibitors show selectivity for the effector caspases-3 and -7 in vitro. The 2-methoxymethylpyrrolidinyl versions of the isatins appear to possess superior caspase inhibition potencies in cellular apoptosis inhibition assays compared with the 2-phenoxymethylpyrrolidinyl inhibitors.