BDBM50322420 CHEMBL1171465::Octanethioic acid S-[(E)-4-((5R,8S,11S)-5-ethyl-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@@](CC)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1

InChI Key InChIKey=JCEIHOKCTXCFBI-SJQSDZARSA-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 = 50322420   

TargetHistone deacetylase 1(Human)
Universidade De Vigo

Curated by ChEMBL
LigandPNGBDBM50322420(CHEMBL1171465 | Octanethioic acid S-[(E)-4-((5R,8S...)
Affinity DataIC50:  161nMAssay Description:Inhibition of human recombinant HDAC1 after 15 mins by fluorimetric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetHistone deacetylase 4(Human)
Universidade De Vigo

Curated by ChEMBL
LigandPNGBDBM50322420(CHEMBL1171465 | Octanethioic acid S-[(E)-4-((5R,8S...)
Affinity DataIC50:  4.90E+3nMAssay Description:Inhibition of human recombinant HDAC4 after 15 mins by fluorimetric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed