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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:CP1A1_HUMAN
Synonyms:
CYPIA1
Cytochrome P450 1A1
P450 form 6
P450-C
P450-P1
EC-Numbers:1.14.14.1
Organism:Homo sapiens
Human
PDB IDs:-

Binding Affinities:

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

References:

8866829
Indole-3-carbinol and diindolylmethane as aryl hydrocarbon (Ah) receptor agonists and antagonists in T47D human breast cancer cells.. I Chen; S Safe; L Bjeldanes (1996) Biochemical pharmacology display abstract
Indole-3-carbinol (I3C) is a major component of Brassica vegetables, and diindolylmethane (DIM) is the major acid-catalyzed condensation product derived from I3C. Both compounds competitively bind to the aryl hydrocarbon (Ah) receptor with relatively low affinity. In Ah-responsive T47D human breast cancer cells, I3C and DIM did not induce significantly CYP1A1-dependent ethoxyresorufin O-deethylase (EROD) activity or CYP1A1 mRNA levels at concentrations as high as 125 or 31 microM, respectively. A 1 nM concentration of 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD) induced EROD activity in these cells, and cotreatment with TCDD plus different concentrations of I3C (1-125 microM) or DIM (1-31 microM) resulted in a > 90% decrease in the induced response at the highest concentration of I3C or DIM. I3C or DIM also partially inhibited (< 50%) induction of CYP1A1 mRNA levels by TCDD and reporter gene activity, using an Ah-responsive plasmid construct in transient transfection assays. In T47D cells cotreated with 5 nM [3H]TCDD alone or in combination with 250 microM I3C or 31 microM DIM, there was a 37 and 73% decrease, respectively, in formation of the nuclear Ah receptor. The more effective inhibition of induced EROD activity by I3C and DIM was due to in vitro inhibition of enzyme activity. Thus, both I3C and DIM are partial Ah receptor antagonists in the T47D human breast cancer cell line.