BDBM50258579 (S)-N-(1-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl)-7-oxooctyl)-1-methylazetidine-3-carboxamide::CHEMBL2448576

SMILES CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc([nH]1)-c1cc2ccccc2nc1OC

InChI Key InChIKey=TZDWXEFTYSLGGT-QFIPXVFZSA-N

Data  20 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50258579   

TargetHistone deacetylase 5(Homo sapiens (Human))
Irbm/Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50258579((S)-N-(1-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of wild type His-tagged HDAC5 catalytic domain T678-L1122 expressed in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50258579((S)-N-(1-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2...)
Affinity DataIC50:  3.00E+3nMAssay Description:Inhibition of hERG potassium channel incubated for 4 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetHistone deacetylase 2(Homo sapiens (Human))
Irbm/Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50258579((S)-N-(1-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2...)
Affinity DataIC50:  5.50E+3nMAssay Description:Inhibition of human C-terminal FLAG-tagged HDAC2 in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 3(Homo sapiens (Human))
Irbm/Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50258579((S)-N-(1-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2...)
Affinity DataIC50:  5.50E+3nMAssay Description:Inhibition of human C-terminal FLAG-tagged HDAC3 in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 6(Homo sapiens (Human))
Irbm/Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50258579((S)-N-(1-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2...)
Affinity DataIC50:  5.50E+3nMAssay Description:Inhibition of C-terminal FLAG-tagged HDAC6 expressed in mammalian cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 7(Homo sapiens (Human))
Irbm/Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50258579((S)-N-(1-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of wild type His-tagged HDAC7 catalytic domain T515-L952 expressed in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 8(Homo sapiens (Human))
Irbm/Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50258579((S)-N-(1-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of C-terminal His-tagged HDAC8 expressed in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Irbm/Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50258579((S)-N-(1-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2...)
Affinity DataIC50:  5.50E+3nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 1(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50258579((S)-N-(1-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2...)
Affinity DataIC50:  2nMAssay Description:Inhibition of recombinant human C-terminal FLAG-tagged HDAC1 expressed in human HEK293F cells using Fluor-de-lys substrate as substrate incubated for...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 2(Homo sapiens (Human))
Irbm/Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50258579((S)-N-(1-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2...)
Affinity DataIC50:  7nMAssay Description:Inhibition of recombinant human C-terminal FLAG-tagged HDAC2 expressed in human HEK293F cells using Fluor-de-lys substrate as substrate incubated for...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 3(Homo sapiens (Human))
Irbm/Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50258579((S)-N-(1-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2...)
Affinity DataIC50:  0.600nMAssay Description:Inhibition of recombinant human FLAG-tagged HDAC3 expressed in human HEK293F cells co-expressing His6-tagged SMRT (1 to 899 residues) using Fluor-de-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 1/2/3/8(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50258579((S)-N-(1-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2...)
Affinity DataIC50:  200nMAssay Description:Inhibition of class 1 HDAC in human Jurkat 2C4 model of HIV latency assessed as reactivation of HIV latency incubated for 18 to 24 hrs in presence of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 1/2/3/8(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50258579((S)-N-(1-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2...)
Affinity DataIC50:  1.00E+3nMAssay Description:Inhibition of class 1 HDAC in human Jurkat 2C4 model of HIV latency assessed as reactivation of HIV latency incubated for 18 to 24 hrs in presence of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 1/2/3/8(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50258579((S)-N-(1-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2...)
Affinity DataIC50:  710nMAssay Description:Inhibition of class 1 HDAC in quiescent human primary T-cell model of VSV-G pseudotyped HIV-1 latency assessed as reactivation of HIV latency incubat...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 1(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50258579((S)-N-(1-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2...)
Affinity DataIC50:  13nMAssay Description:Inhibition of HDAC1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 2(Homo sapiens (Human))
Irbm/Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50258579((S)-N-(1-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2...)
Affinity DataIC50:  18nMAssay Description:Inhibition of HDAC2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 3(Homo sapiens (Human))
Irbm/Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50258579((S)-N-(1-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2...)
Affinity DataIC50:  12nMAssay Description:Inhibition of HDAC3 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 6(Homo sapiens (Human))
Irbm/Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50258579((S)-N-(1-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2...)
Affinity DataIC50:  680nMAssay Description:Inhibition of HDAC6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 8(Homo sapiens (Human))
Irbm/Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50258579((S)-N-(1-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of HDAC8 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 1(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50258579((S)-N-(1-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2...)
Affinity DataIC50:  5.50E+3nMAssay Description:Inhibition of human C-terminal FLAG-tagged HDAC1 in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed