BDBM25142 (3S,6S,9S,15aR)-9-[(2R)-butan-2-yl]-6-[(1-methoxy-1H-indol-3-yl)methyl]-3-(6-oxooctyl)-tetradecahydro-1H-pyrido[1,2-a][,,,]cyclododecane-1,4,7,10-tetrone::Apicidin

SMILES CCC(C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O

InChI Key InChIKey=JWOGUUIOCYMBPV-LQJYRIKDSA-N

Data  7 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 25142   

TargetHistone deacetylase 1(Homo sapiens (Human))
Irbm/Merck Research Laboratories

LigandPNGBDBM25142((3S,6S,9S,15aR)-9-[(2R)-butan-2-yl]-6-[(1-methoxy-...)
Affinity DataIC50:  44nMpH: 8.0 T: 2°CAssay Description:The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 1(Homo sapiens (Human))
Irbm/Merck Research Laboratories

LigandPNGBDBM25142((3S,6S,9S,15aR)-9-[(2R)-butan-2-yl]-6-[(1-methoxy-...)
Affinity DataIC50:  23nMpH: 8.0 T: 2°CAssay Description:The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 3(Homo sapiens (Human))
Irbm/Merck Research Laboratories

LigandPNGBDBM25142((3S,6S,9S,15aR)-9-[(2R)-butan-2-yl]-6-[(1-methoxy-...)
Affinity DataIC50:  9.70nMpH: 8.0 T: 2°CAssay Description:The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase(Plasmodium falciparum (isolate 3D7))
Harvard Medical School

LigandPNGBDBM25142((3S,6S,9S,15aR)-9-[(2R)-butan-2-yl]-6-[(1-methoxy-...)
Affinity DataIC50:  1nMpH: 7.5 T: 2°CAssay Description:Recombinant pfHDAC-1 was assayed with substrate in the presence of test compound. The substrate concentration was kept constant at 125 uM while the c...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 4(Homo sapiens (Human))
Irbm/Merck Research Laboratories

LigandPNGBDBM25142((3S,6S,9S,15aR)-9-[(2R)-butan-2-yl]-6-[(1-methoxy-...)
Affinity DataIC50:  8.70E+3nMT: 2°CAssay Description:The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 6(Homo sapiens (Human))
Irbm/Merck Research Laboratories

LigandPNGBDBM25142((3S,6S,9S,15aR)-9-[(2R)-butan-2-yl]-6-[(1-methoxy-...)
Affinity DataIC50:  4.30E+3nMT: 2°CAssay Description:The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 4 [653-1084,H976Y](Homo sapiens (Human))
Irbm/Merck Research Laboratories

LigandPNGBDBM25142((3S,6S,9S,15aR)-9-[(2R)-butan-2-yl]-6-[(1-methoxy-...)
Affinity DataIC50:  3.60E+3nMpH: 7.5 T: 2°CAssay Description:The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed