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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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i-BET-726

Category:PAHi
Cas Number:1300031-52-0
Molecular Formula:C25H23ClN2O3
Molecular Weight:434.91472 g/mol
Smiles:CC1CC(C2=C(N1C(=O)C)C=CC(=C2)C3=CC=C(C=C3)C(=O)O)NC4=CC=C(C=C4)Cl
Description:I-BET-726 inhibits cell growth and induces cytotoxicity. GSK1324726A also modulates expression of genes involved in apoptosis, signaling, and MYC-family pathways, including the direct suppression of BCL2 and MYCN.
synonyms:
Structure:
3D Conformer:3D View
Downlaod:Structure File Download (9.0KB)

Target list

IdDrug NameTargetPubmedIdCo-crystal Complex
1295 i-BET-726Bromodomain-containing protein 2 (Homo sapiens (Human))252491804UYF(96%)
4UYG(96%)
1296 i-BET-726Bromodomain-containing protein 4 (BRD4) (Homo sapiens (Human))25249180
1297 i-BET-726Bromodomain-containing protein 3 (Homo sapiens (Human))25249180
1298 i-BET-726Bromodomain-containing protein 3 (Homo sapiens (Human))25249180
1299 i-BET-726Cytochrome P450 1A2 (Homo sapiens (human))25249180
1300 i-BET-726Cytochrome P450 2C9 (Homo sapiens (human))25249180
1301 i-BET-726Bromodomain-containing protein 4 (BRD4) (Homo sapiens (Human))25249180
1302 i-BET-726CBP (Homo sapiens (human))25249180
1303 i-BET-726ATPase family AAA domain-containing protein 2 (Homo sapiens)25249180
1304 i-BET-726ATPase family AAA domain-containing protein 2B (Homo sapiens)25249180
1305 i-BET-726Bromodomain adjacent to zinc finger domain protein 2A (Homo sapiens)25249180
1306 i-BET-726Bromodomain adjacent to zinc finger domain protein 2B (Homo sapiens)25249180
1307 i-BET-726Nucleosome-remodeling factor subunit BPTF (Homo sapiens)25249180
1308 i-BET-726Bromodomain-containing protein 2 (Homo sapiens (Human))252491804UYF(96%)
4UYG(96%)
1309 i-BET-726Bromodomain-containing protein 2 (Homo sapiens (Human))252491804UYF(96%)
4UYG(96%)
1310 i-BET-726Bromodomain-containing protein 3 (Homo sapiens (Human))25249180
1311 i-BET-726Bromodomain-containing protein 3 (Homo sapiens (Human))25249180
1312 i-BET-726Bromodomain-containing protein 4 (BRD4) (Homo sapiens (Human))25249180
1313 i-BET-726Bromodomain-containing protein 4 (BRD4) (Homo sapiens (Human))25249180
1314 i-BET-726Bromodomain-containing protein 4 (BRD4) (Homo sapiens (Human))25249180
Total Page:3 Page   of 3

Disease list

ConditionsDrug NameStatusNct NumberPhases
neuroblastomai-BET-726Preclinical study

High-throughoutput Dataset

TitleDrug NameCategorySample typePMID
Gene expression study in Neuroblastoma after BET inhibition i-BET-726PAHihuman neuroblastoma cell lines (SK-N-SH and CHP-212)24009722

Complex list

PDBIdDrug NameTargetmethodPubmedId
4BJX I-BET-726BROMODOMAIN-CONTAINING PROTEIN 4 (Homo sapiens)X-RAY DIFFRACTION24009722
4UYF I-BET-726BROMODOMAIN-CONTAINING PROTEIN 2 (Homo sapiens)X-RAY DIFFRACTION25249180
4UYG I-BET-726BROMODOMAIN-CONTAINING PROTEIN 2 (Homo sapiens)X-RAY DIFFRACTION25249180

About

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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.

Copyright

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

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