BDBM50552775 CHEMBL4757813

SMILES CCN1CCC2(C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC)c2ncc([nH]2)-c2cc(ccc2OC)[N+]([O-])=O)CC1

InChI Key InChIKey=MEUMZPCNBJWULD-UHFFFAOYSA-N

Data  3 IC50

  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 = 50552775   

TargetHistone deacetylase 3(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50552775(CHEMBL4757813)
Affinity DataIC50: 2.90nMAssay Description:Inhibition of HDAC3 (unknown origin) using compound purified by microgram-scale HPLC work-flowMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed
TargetHistone deacetylase 1(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50552775(CHEMBL4757813)
Affinity DataIC50: 7.80nMAssay Description:Inhibition of HDAC1 (unknown origin) using compound purified by microgram-scale HPLC work-flowMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed
TargetHistone deacetylase 2(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50552775(CHEMBL4757813)
Affinity DataIC50: 43nMAssay Description:Inhibition of HDAC2 (unknown origin) using compound purified by microgram-scale HPLC work-flowMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed