BDBM50559389 CHEMBL4762346

SMILES ONC(=O)c1ccc(CCCN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1

InChI Key InChIKey=HACUHRDPZRXYSI-UHFFFAOYSA-N

Data  2 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 4 hits for monomerid = 50559389   

TargetLysine-specific histone demethylase 1A(Human)
Jubilant Epicore

US Patent
LigandPNGBDBM50559389(CHEMBL4762346 | US20250162994, Example 13)
Affinity DataIC50: 4nMAssay Description:LSD1 enzyme was produced in house. Tranylcypromine (TCP), LSD1 inhibitor was procured from Selleckchem. LSD1 enzyme, TCP and Biotinylated peptide sub...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/19/2025
Entry Details
US Patent

TargetLysine-specific histone demethylase 1A(Human)
Jubilant Epicore

US Patent
LigandPNGBDBM50559389(CHEMBL4762346 | US20250162994, Example 13)
Affinity DataIC50: 4nMAssay Description:Inhibition of LSD1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2022
Entry Details Article
PubMed
TargetHistone deacetylase 6(Human)
Jubilant Epicore

US Patent
LigandPNGBDBM50559389(CHEMBL4762346 | US20250162994, Example 13)
Affinity DataIC50: 31nMAssay Description:Histone deacetylase assay was done as per manufacturer's instructions. Briefly, assay buffer, 200 uM HDAC substrate (fluorogenic HDAC acetylated ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/19/2025
Entry Details
US Patent

TargetHistone deacetylase 6(Human)
Jubilant Epicore

US Patent
LigandPNGBDBM50559389(CHEMBL4762346 | US20250162994, Example 13)
Affinity DataIC50: 31nMAssay Description:Inhibition of human HDAC6 (unknown origin) using RHKKAc as substrate by fluorescence methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2022
Entry Details Article
PubMed