BDBM50446481 CHEMBL3110004::US10011611, TMP269::US10722597, Compound TMP-269

SMILES FC(F)(F)c1nc(no1)-c1cccc(c1)C(=O)NCC1(CCOCC1)c1nc(cs1)-c1ccccc1

InChI Key InChIKey=HORXBWNTEDOVKN-UHFFFAOYSA-N

Data  16 KI  38 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50446481   

TargetHistone deacetylase 4(Homo sapiens (Human))
Sungkyunkwan University

Curated by ChEMBL
LigandPNGBDBM50446481(CHEMBL3110004 | US10011611, TMP269 | US10722597, C...)
Affinity DataIC50:  134nMAssay Description:Inhibition of human recombinant N-terminal GST-tagged C-terminal His-tagged HDAC4 (627 to 1084 residues) expressed in insect cells using Boc-K(TFA)-A...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 5(Homo sapiens (Human))
Sungkyunkwan University

Curated by ChEMBL
LigandPNGBDBM50446481(CHEMBL3110004 | US10011611, TMP269 | US10722597, C...)
Affinity DataIC50:  108nMAssay Description:Inhibition of human recombinant C-terminal His-tagged HDAC5 (657 to 1123 residues) expressed in insect cells using Boc-K(TFA)-AMC as substrate incuba...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 9(Homo sapiens (Human))
Sungkyunkwan University

Curated by ChEMBL
LigandPNGBDBM50446481(CHEMBL3110004 | US10011611, TMP269 | US10722597, C...)
Affinity DataIC50:  23.2nMAssay Description:Inhibition of human recombinant HDAC9 using trifluoroacetyl lysine as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 7(Homo sapiens (Human))
Sungkyunkwan University

Curated by ChEMBL
LigandPNGBDBM50446481(CHEMBL3110004 | US10011611, TMP269 | US10722597, C...)
Affinity DataIC50:  40.9nMAssay Description:Inhibition of human recombinant N-terminal GST-tagged HDAC7 (518 to 991 residues) expressed in insect cells using Boc-K(TFA)-AMC as substrate incubat...More data for this Ligand-Target Pair