Welcome to HEDD

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.

read more

I-BET762

Category:PAHi
Cas Number:1260907-17-2
Molecular Formula:C22H22ClN5O2
Molecular Weight:423.89538 g/mol
Smiles:CCNC(=O)CC1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C
Description:I-BET762 is a BET (bromodomain and extra terminal domain) protein inhibitors, about 35 nM IC50, a reduction in the macrophages produce proinflammatory protein, inhibit the acute inflammation, containing bromine area in combination with other region of the protein is highly selective.
synonyms:
Structure:
3D Conformer:3D View
Downlaod:Structure File Download (7.0KB)

Target list

IdDrug NameTargetPubmedIdCo-crystal Complex
1271 I-BET762Bromodomain-containing protein 2 (Homo sapiens (Human))22316554
1272 I-BET762Bromodomain-containing protein 4 (BRD4) (Homo sapiens (Human))25559428
1273 I-BET762Bromodomain-containing protein 4 (BRD4) (Homo sapiens (Human))22316554
1274 I-BET762Bromodomain-containing protein 2 (Homo sapiens (Human))22316554
1275 I-BET762Bromodomain-containing protein 3 (Homo sapiens (Human))22316554
1276 I-BET762Bromodomain-containing protein 4 (BRD4) (Homo sapiens (Human))22316554
1277 I-BET762Bromodomain-containing protein 2 (Homo sapiens (Human))21568322
1278 I-BET762Bromodomain-containing protein 3 (Homo sapiens (Human))21568322
1279 I-BET762Bromodomain-containing protein 4 (BRD4) (Homo sapiens (Human))21568322
1280 I-BET762Bromodomain-containing protein 4 (BRD4) (Homo sapiens (Human))22136469
1281 I-BET762Bromodomain-containing protein 3 (Homo sapiens (Human))22136469
1282 I-BET762Bromodomain-containing protein 2 (Homo sapiens (Human))22136469
1283 I-BET762Bromodomain-containing protein 4 (BRD4) (Homo sapiens (Human))22136469
1284 I-BET762Bromodomain-containing protein 3 (Homo sapiens (Human))22136469
1285 I-BET762Bromodomain-containing protein 2 (Homo sapiens (Human))22136469
1286 I-BET762Bromodomain-containing protein 4 (BRD4) (Homo sapiens (Human))22136469
1287 I-BET762Bromodomain-containing protein 3 (Homo sapiens (Human))22136469
1288 I-BET762Bromodomain-containing protein 2 (Homo sapiens (Human))22136469
1289 I-BET762Bromodomain-containing protein 4 (BRD4) (Homo sapiens (Human))
1290 I-BET762Bromodomain-containing protein 4 (BRD4) (Homo sapiens (Human))
Total Page:2 Page   of 2

Disease list

ConditionsDrug NameStatusNct NumberPhases
prostate cancerJQ1
I-BET762
Preclinical study
prostate cancerI-BET762Preclinical study
prostate cancerJQ1
I-BET762
Preclinical study

High-throughoutput Dataset

TitleDrug NameCategorySample typePMID
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
Inhibition of BET bromodomain proteins as a therapeutic approach in prostate cancer I-BET762PAHiprostate cancer cell lines (NCI-H660; VCaP; LNCaP; PC-3)24293458
Therapeutic Targeting of BET Bromodomain Proteins in Castration-Resistant Prostate Cancer JQ1
I-BET762
PAHiprostate cancer cells24759320

Complex list

PDBIdDrug NameTargetmethodPubmedId
5DFC I-BET762Bromodomain-containing protein 2 (Homo sapiens)X-RAY DIFFRACTION26367539
3P5O I-BET762Bromodomain-containing protein 4 (Homo sapiens)X-RAY DIFFRACTION21068722
2YEK I-BET762BROMODOMAIN-CONTAINING PROTEIN 2 (Homo sapiens)X-RAY DIFFRACTION21568322

About

pix

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.

Copyright

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

吉ICP备16005872号