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Drug-Target Interaction

Drug

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PubChem ID:2346
Structure:
Synonyms:
(isothiocyanatomethyl)benzene
252492_ALDRICH
4-12-00-02276 (Beilstein Handbook Reference)
622-78-6
a-isothiocyanatotoluene
AB 2
AB 2 (VAN)
AB1003147
AC1L1DH3
AC1Q7EX9
AC1Q7EYE
AI3-02736
AKOS000212138
alpha-isothiocyanatotoluene
AR-1H6693
BB_SC-6549
Benzene, (isothiocyanatomethyl)-
Benzyl isothio cyanate
Benzyl isothiocyanate
Benzyl mustard oil
Benzyl-isothiocyanate
Benzylisothiocyanate
Benzylsenfoel
Benzylsenfoel [German]
BRN 0386135
BSPBio_002526
C03098
C031403
CCG-35868
CCRIS 3145
CHEBI:17484
CHEMBL55285
DivK1c_006780
EINECS 210-753-9
HMS1921P18
I0224
isothiocyanato-methyl-benzene
isothiocyanatomethyl-benzene
isothiocyanatomethylbenzene
Isothiocyanic Acid Benzyl Ester
Isothiocyanic acid, benzyl ester
Isothiocyanotaomethylbenzene
KBio1_001724
KBio2_002321
KBio2_004889
KBio2_007457
KBio3_001746
KBioGR_001358
KBioSS_002323
LS-7216
MolPort-000-147-097
NCGC00094982-01
NCGC00094982-02
NCGC00094982-03
NCGC00094982-04
NCI60_000455
NCIMech_000859
NSC 118976
NSC118796
NSC118976
phenylmethyl isothiocyanate
PMITC cpd
QTL1_000013
SDCCGMLS-0066697.P001
SPBio_000863
SpecPlus_000684
SPECTRUM1503006
Spectrum2_000852
Spectrum3_000793
Spectrum4_001059
Spectrum5_001837
Spectrum_001820
STK399787
TL8004089
Toluene, .alpha.-isothiocyanato-
Toluene, alpha-isothiocyanato-
Tromacaps
Tromalyt
Urogran
W510548_ALDRICH
WLN: SCN1R
ZERO/008132
ZINC01529592

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:

9458080
Chemopreventive isothiocyanates induce apoptosis and caspase-3-like protease activity.. R Yu; S Mandlekar; K J Harvey; D S Ucker; A N Kong (1998) Cancer research display abstract
Isothiocyanates exert strong anticarcinogenic effects in a number of animal models of cancer, presumably by modulation of xenobiotic-metabolizing enzymes, such as by inhibition of cytochrome P-450 and/or by induction of phase II detoxifying enzymes. Here, we report that phenethyl isothiocyanate and other structurally related isothiocyanates, phenylmethyl isothiocyanate, phenylbutyl isothiocyanate, and phenylhexyl isothiocyanate, but not phenyl isothiocyanate induced apoptosis in HeLa cells in a time- and dose-dependent manner. Treatment with apoptosis-inducing concentrations of isothiocyanates also caused rapid and transient induction of caspase-3/CPP32-like activity. Furthermore, these isothiocyanates, except phenyl isothiocyanate, stimulated proteolytic cleavage of poly(ADP-ribose) polymerase, which followed the appearance of caspase activity and preceded DNA fragmentation. Pretreatment with a potent caspase-3 inhibitor acetyl-Asp-Glu-Val-Asp-aldehyde inhibited isothiocyanate-induced caspase-3-like activity and apoptosis. These results suggest that isothiocyanates may induce apoptosis through a caspase-3-dependent mechanism. The induction of apoptosis by isothiocyanates may provide a distinct mechanism for their chemopreventive functions.