BDBM50380399 CHEMBL2018302::Tubastatin A::US10227295, Compound Tubastatin A::US10456394, Tubastatin A::US11207431, Example D::US8748451, 6::US9249087, Tubacin::US9751832, Tubastatin A::US9956192, Compound Tubastatin-A

SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO

InChI Key InChIKey=GOVYBPLHWIEHEJ-UHFFFAOYSA-N

Data  13 KI  331 IC50  2 EC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50380399   

TargetHistone deacetylase 1(Homo sapiens (Human))
Wayne State University

LigandPNGBDBM50380399(CHEMBL2018302 | Tubastatin A | US10227295, Compoun...)
Affinity DataIC50:  1.64E+4nMpH: 8.0 T: 2°CAssay Description:Following transfection of HEK293 cells with pBJ5-HDAC1 wild type or mutant plasmids, [Weerasinghe et al., J. Med. Chem. 51:5542-5551; Wambua et al., ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 2(Homo sapiens (Human))
Wayne State University

LigandPNGBDBM50380399(CHEMBL2018302 | Tubastatin A | US10227295, Compoun...)
Affinity DataIC50: >3.00E+4nMpH: 8.0 T: 2°CAssay Description:Following transfection of HEK293 cells with pBJ5-HDAC1 wild type or mutant plasmids, [Weerasinghe et al., J. Med. Chem. 51:5542-5551; Wambua et al., ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 3(Homo sapiens (Human))
Wayne State University

LigandPNGBDBM50380399(CHEMBL2018302 | Tubastatin A | US10227295, Compoun...)
Affinity DataIC50: >3.00E+4nMpH: 8.0 T: 2°CAssay Description:Following transfection of HEK293 cells with pBJ5-HDAC1 wild type or mutant plasmids, [Weerasinghe et al., J. Med. Chem. 51:5542-5551; Wambua et al., ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 4(Homo sapiens (Human))
Wayne State University

LigandPNGBDBM50380399(CHEMBL2018302 | Tubastatin A | US10227295, Compoun...)
Affinity DataIC50: >3.00E+4nMpH: 8.0 T: 2°CAssay Description:Following transfection of HEK293 cells with pBJ5-HDAC1 wild type or mutant plasmids, [Weerasinghe et al., J. Med. Chem. 51:5542-5551; Wambua et al., ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 5(Homo sapiens (Human))
Wayne State University

LigandPNGBDBM50380399(CHEMBL2018302 | Tubastatin A | US10227295, Compoun...)
Affinity DataIC50: >3.00E+4nMpH: 8.0 T: 2°CAssay Description:Following transfection of HEK293 cells with pBJ5-HDAC1 wild type or mutant plasmids, [Weerasinghe et al., J. Med. Chem. 51:5542-5551; Wambua et al., ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 6(Homo sapiens (Human))
Wayne State University

LigandPNGBDBM50380399(CHEMBL2018302 | Tubastatin A | US10227295, Compoun...)
Affinity DataIC50:  15nMpH: 8.0 T: 2°CAssay Description:Following transfection of HEK293 cells with pBJ5-HDAC1 wild type or mutant plasmids, [Weerasinghe et al., J. Med. Chem. 51:5542-5551; Wambua et al., ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 7(Homo sapiens (Human))
Wayne State University

LigandPNGBDBM50380399(CHEMBL2018302 | Tubastatin A | US10227295, Compoun...)
Affinity DataIC50: >3.00E+4nMpH: 8.0 T: 2°CAssay Description:Following transfection of HEK293 cells with pBJ5-HDAC1 wild type or mutant plasmids, [Weerasinghe et al., J. Med. Chem. 51:5542-5551; Wambua et al., ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 8(Homo sapiens (Human))
Wayne State University

LigandPNGBDBM50380399(CHEMBL2018302 | Tubastatin A | US10227295, Compoun...)
Affinity DataIC50:  854nMpH: 8.0 T: 2°CAssay Description:Following transfection of HEK293 cells with pBJ5-HDAC1 wild type or mutant plasmids, [Weerasinghe et al., J. Med. Chem. 51:5542-5551; Wambua et al., ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed