BDBM50564921 CHEMBL4792281

SMILES COc1ccc(cc1NCc1ccc(OCCCCC(=O)Nc2ccc3n(C)c(=O)c(C)cc3c2)cc1)C(=O)NO

InChI Key InChIKey=XYUDJKAHHUJQBC-UHFFFAOYSA-N

Data  2 IC50  1 Kd

  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 3 hits for monomerid = 50564921   

TargetHistone deacetylase 8(Human)
Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL
LigandPNGBDBM50564921(CHEMBL4792281)
Affinity DataIC50: 956nMAssay Description:Inhibition of human recombinant HDAC8 using H2N-Arg-His-Lys(Ac)-Lys(Ac)-AMC as substrate after 90 mins by fluorescence based micro plate assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMed
TargetPeregrin(Human)
Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL
LigandPNGBDBM50564921(CHEMBL4792281)
Affinity DataKd:  4.08E+3nMAssay Description:Binding affinity to BRPF1 (unknown origin) by Isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMed
TargetHistone deacetylase 1(Human)
Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL
LigandPNGBDBM50564921(CHEMBL4792281)
Affinity DataIC50: 5.20E+3nMAssay Description:Inhibition of recombinant human HDAC1 using Z-(Ac)Lys-AMC as substrate after 90 mins by fluorescence based micro plate assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMed