BDBM50322419 CHEMBL1171466::Octanethioic acid S-[(E)-4-((5R,8S,11S)-5-benzyl-8-isopropyl-6,9,13-trioxo-10-oxa-3,17-dithia-7,14,19,20-tetraaza-tricyclo[14.2.1.1*2,5*]icosa-1(18),2(20),16(19)-trien-11-yl)-but-3-enyl]ester

SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](Cc3ccccc3)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1

InChI Key InChIKey=VRSPHWOZMHPVOQ-BWBAVGLMSA-N

Data  2 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 2 hits for monomerid = 50322419   

TargetHistone deacetylase 1(Homo sapiens (Human))
Universidade De Vigo

Curated by ChEMBL
LigandPNGBDBM50322419(CHEMBL1171466 | Octanethioic acid S-[(E)-4-((5R,8S...)
Affinity DataIC50:  4.5nMAssay Description:Inhibition of human recombinant HDAC1 after 15 mins by fluorimetric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 4(Homo sapiens (Human))
Universidade De Vigo

Curated by ChEMBL
LigandPNGBDBM50322419(CHEMBL1171466 | Octanethioic acid S-[(E)-4-((5R,8S...)
Affinity DataIC50:  3.00E+3nMAssay Description:Inhibition of human recombinant HDAC4 after 15 mins by fluorimetric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed