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The Human Epigenetic Drug Database (HEDD) is a comprehensive web-based database for epigenetic drugs, which focuses on the storage and integration of epigenetic drug datasets that were obtained from laboratory experiments that is essential for understanding the mechanism of action of these epigenetic drugs at a systematic level.

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JQ1

Category:PAHi
Cas Number:1268524-70-4
Molecular Formula:C23H25ClN4O2S
Molecular Weight:456.9882 g/mol
Smiles:CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4
=CC=C(C=C4)Cl)C
Description:JQ1 is a thienotriazolodiazepine and a potent inhibitor of the BET family of bromodomain proteins which includeBRD2, BRD3, BRD4, and the testis-specific protein BRDT in mammals. BET inhibitors structurally similar to JQ1 are being tested in clinical trials for a variety of cancers including NUT midline carcinoma. It was developed by the James Bradner laboratory at Brigham and Women's Hospital and named after chemist Jun Qi. The chemical structure was inspired by patent of similar BET inhibitors by Mitsubishi Tanabe Pharma [WO/2009/084693]. Structurally it is related to benzodiazepines. While widely used in laboratory applications, JQ1 is not itself being used in human clinical trials because it has a short half life.
synonyms:
Structure:
3D Conformer:3D View
Downlaod:Structure File Download (8.0KB)

Target list

IdDrug NameTargetPubmedIdCo-crystal Complex
1236 JQ1Bromodomain-containing protein 4 (BRD4) (Homo sapiens (Human))22137933
1237 JQ1Bromodomain-containing protein 4 (BRD4) (Homo sapiens (Human))25559428
1238 JQ1Bromodomain-containing protein 2 (Homo sapiens (Human))22316554
1239 JQ1Bromodomain-containing protein 3 (Homo sapiens (Human))22316554
1240 JQ1Bromodomain-containing protein 3 (Homo sapiens (Human))22316554
1241 JQ1Bromodomain-containing protein 4 (BRD4) (Homo sapiens (Human))22316554
1242 JQ1Bromodomain-containing protein 4 (BRD4) (Homo sapiens (Human))22316554
1243 JQ1Bromodomain testis-specific protein (Homo sapiens)22316554
1244 JQ1Bromodomain-containing protein 4 (BRD4) (Homo sapiens (Human))22316554
1245 JQ1Bromodomain-containing protein 4 (BRD4) (Homo sapiens (Human))22316554
1246 JQ1CBP (Homo sapiens (human))22316554
1247 JQ1Bromodomain-containing protein 4 (BRD4) (Homo sapiens (Human))
1248 JQ1Bromodomain-containing protein 4 (BRD4) (Homo sapiens (Human))22924434
1249 JQ1Bromodomain-containing protein 4 (BRD4) (Homo sapiens (Human))22924434
1250 JQ1Bromodomain-containing protein 4 (BRD4) (Homo sapiens (Human))22136469
1251 JQ1Bromodomain-containing protein 4 (BRD4) (Homo sapiens (Human))22136469
1252 JQ1Bromodomain-containing protein 4 (BRD4) (Homo sapiens (Human))23517011
1253 JQ1Bromodomain-containing protein 4 (BRD4) (Homo sapiens (Human))
1254 JQ1Bromodomain-containing protein 4 (BRD4) (Homo sapiens (Human))
1255 JQ1Bromodomain-containing protein 4 (BRD4) (Homo sapiens (Human))25314271
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Disease list

ConditionsDrug NameStatusNct NumberPhases
healthymocetinostat
JQ1
Preclinical study
triple negative breast cancerJQ1Preclinical study
multiple myeloma
Burkitt lymphoma
JQ1Preclinical study
neuroblastomaJQ1Preclinical study
healthyJQ1Preclinical study
ewing sarcomaJQ1Preclinical study
hepatocellular carcinomaJQ1
RVX-208
Preclinical study
prostate cancerJQ1
I-BET762
Preclinical study
NeuroblastomaJQ1
panobinostat
Preclinical study
Mantle Cell LymphomaJQ1Preclinical study
blast progenitorJQ1 Preclinical study
ovarian carcinomaJQ1Preclinical study
healthyJQ1 Preclinical study
non-small cell lung cancerJQ1Preclinical study
healthyJQ1 Preclinical study
healthyJQ1Preclinical study
triple negative breast cancer (TNBC)JQ1 Preclinical study
female lymphoblastoidJQ1Preclinical study
?ALLJQ1 Preclinical study
healthyJQ1Preclinical study
Total Page:2 Page   of 2

High-throughoutput Dataset

TitleDrug NameCategorySample typePMID
Induction of USP17 by combining BET and HDAC inhibitors in breast cancer cells mocetinostat
JQ1
HDACi
PHAi
human MDA-MB-231 cells 26378038
In silico analyses guides selection of BET inhibitors for triple negative breast cancer treatment JQ1PAHihuman triple negative breast cancer24254375
Global gene expression response to BET inhibition in two cancer cell lines JQ1PAHihuman multiple myeloma cell line (LP-1); human Burkitt lymphoma cell line(Raji)21949397
Targeting MYCN in Neuroblastoma by BET Bromodomain Inhibition JQ1PAHihuman neuroblastoma BE(2)-C and Kelly cells23430699
Blockade of oncogenic IkappaB kinase activity in ABC DLBCL by small molecule BET protein inhibitors JQ1PAHihuman HBL1 and LP1 cells25049379
Targeting the EWS/ETS transcriptional program by BET bromodomain inhibition in Ewing sarcoma JQ1PAHihuman ewing sarcoma cell lines (A673 and TC-71)26623725
Effect of BET inhibitors (JQ1 and RVX-208) on gene expression in HepG2 cells JQ1
RVX-208
PAHiHepG2 Cells 24248379
Therapeutic Targeting of BET Bromodomain Proteins in Castration-Resistant Prostate Cancer JQ1
I-BET762
PAHihuman prostate cancer cell lines (LNCaP, 22RV1, DU145 and PC3)24759320
Transient treatment with epigenetic modifiers yields stable neuroblastoma stem cells resembling aggressive large-cell neuroblastomas JQ1
panobinostat
PAHi
HDACi
Neuroblastoma SK-N-BE(2) cells
Synergistic activity of BET protein antagonist-based combinations in Mantle Cell Lymphoma cells sensitive or resistant to ibrutinib JQ1PAHiMantle Cell Lymphoma cells26254443
Effects of BRD4 inhibition in AML JQ1PAHihuman AML blast progenitor cells (BPCs)?24435446
BRD4 represses CBX5 JQ1PAHiOvcar8
BRD4 connects enhancer remodeling to senescence immune surveillance (RNA-seq) JQ1PAHihuman fibroblasts (IMR90)27099234
Expression data from non-small cell lung cancer cell line DV90 after Bromodomain and extra terminal domain (BET) inhibitor JQ1 treatment JQ1PAHinon-small cell lung cancer cell line DV90
BET Protein Inhibitor JQ1 Induces Cell Cycle Arrest in Mesenchymal Stem Cells JQ1PAHiMesenchymal Stem Cells(MSCs)26830473
Gene expression analysis following JQ1 treatments in colon cancer lines JQ1PAHiSW480; HT-29; HCT-15; HCT-116; COLO 205; and COLO 320 cell lines26752646
Response and resistance to BET bromodomain inhibitors in triple negative breast cancer JQ1PAHitriple negative breast cancer (TNBC)26735014
Epigenome analysis of the effects of JQ1 on DNA methylation JQ1PAHifemale lymphoblastoid cell lines?26178744
Development of gene expression signatures for JQ1 treatment of the ALL-SIL cell line. JQ1PAHiALL-SIL T-ALL cell line26108691
RNA-sequencing of cells derived from the site of inflammation of Juvenile Idiopathic Arthritis patients JQ1PAHiCD4+ memory/effector T cells26387944
Total Page:2

Complex list

PDBIdDrug NameTargetmethodPubmedId

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The Human Epigenetic Drug Database (HEDD) is a comprehensive web-based database for epigenetic drugs, which focuses on integrating epigenetic drug studies based Omics data from high through experiments that is essential for understanding the mechanism of action of these epigenetic drugs at a systematic level.

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©2016 Group of Computational Epigenomics and Bioinformatics, College of Life Science, Jilin Normal University, China

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