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Drug-Target Interaction

Drug

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PubChem ID:3712
Structure:
Synonyms:
1H-Indol-3-Yl-Methanol
1H-indol-3-ylmethanol
1H-Indole-3-methanol
1H-Indole-3-methanol (9CI)
3-Hydroxymethylindole
3-Indolemethanol
3-Indolylcarbinol
5-21-03-00045 (Beilstein Handbook Reference)
700-06-1
AC-7583
AC1L1GJH
AC1Q7C3V
AG-G-73181
AI3-60090
AKOS001075120
BRD-K01815685-001-02-3
BRN 0121323
BSPBio_003573
C016517
C9H9NO
CCG-38786
CCRIS 3261
CHEBI:24814
CHEMBL155625
CPDQT-428
EINECS 211-836-2
HMS1789O22
HMS2235E10
HSCI1_000097
I-2100
I0496
I10-0077
I3C
I3C cpd
I7256_SIGMA
IN1455
Indinol
Indole-3-carbinol
Indole-3-carbinol-Supplied by Selleck Chemicals
INDOLE-3-METHANOL
KBio3_002949
LS-2173
MLS001333161
MLS001333162
MolPort-000-139-921
NCGC00090701-01
NCGC00090701-02
NCGC00090701-03
NCGC00090701-04
NCGC00090701-05
NCGC00090701-06
NCGC00090701-07
NSC 525801
NSC525801
Prevention 4 (indole-3-carbinol)
S2313_Selleck
SBB004095
SDCCGMLS-0065970.P001
SDCCGMLS-0065970.P002
SMP2_000172
SMR000385784
SPBio_001700
SPECTRUM1505320
Spectrum2_001710
Spectrum3_001973
TL8004925
ZINC00158743

Target

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Uniprot ID:Q3YA63_HUMAN
Synonyms:
Cytochrome P450 2E1
EC-Numbers:1.14.14.1
Organism:Homo sapiens
Human
PDB IDs:-

Binding Affinities:

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

17582584
Protective effects of isothiocyanates alone or in combination with vitamin C towards N-nitrosodibutylamine or N-nitrosopiperidine-induced oxidative DNA damage in the single-cell gel electrophoresis (SCGE)/HepG2 assay.. Almudena García; Ana I Haza; Nuria Arranz; Joseph Rafter; Paloma Morales (2008) Journal of applied toxicology : JAT display abstract
The aim of this study was to investigate the protective effect of isothiocyanates alone or in combination with vitamin C towards N-nitrosodibutylamine (NDBA) or N-nitrosopiperidine (NPIP)-induced oxidative DNA damage in the single cell gel electrophoresis (SCGE)/HepG2 assay. Phenethyl isothiocyanate (PEITC) and indole-3-carbinol (I3C) alone showed a weak protective effect towards NDBA (0.1 microm, 26-27%, respectively) or NPIP (1 microm, 26-28%, respectively)-induced oxidative DNA damage. Allyl isothiocyanate (AITC) alone did not attenuate the genotoxic effect provoked by NDBA or NPIP. In contrast, HepG2 cells simultaneously treated with PEITC, I3C and AITC in combination with vitamin C showed a stronger inhibition of oxidative DNA-damage induced by NDBA (0.1 microm, 67%, 42%, 32%, respectively) or NPIP (1 microm, 50%, 73%, 63%, respectively) than isothiocyanates (ITCs) alone. One feasible mechanism by which ITCs alone or in combination with vitamin C exert their protective effects towards N-nitrosamine-induced oxidative DNA damage could be by the inhibition of their cytochrome P450 dependent bioactivation. PEITC and I3C strongly inhibited the p-nitrophenol hydroxylation (CYP2E1) activity (0.1 microm, 66-50%, respectively), while the coumarin hydroxylase (CYP2A6) activity was slightly reduced (0.1 microm, 25-37%, respectively). However, the ethoxyresorufin O-deethylation (CYP1A1) activity was only inhibited by PEITC (1 microm, 55%). The results indicate that PEITC and I3C alone or PEITC, I3C and AITC in combination with vitamin C protects human-derived cells against the oxidative DNA damaging effects of NDBA and NPIP, two food carcinogenic compounds.