BDBM50544221 CHEMBL4639586

SMILES COc1nc2ccccc2cc1-c1cnc([nH]1)[C@@H](N)CCCCCC(=O)c1cnoc1C

InChI Key InChIKey=RVTQYDDCOIFTGY-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 50544221   

TargetHistone deacetylase 1(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50544221(CHEMBL4639586)
Affinity DataIC50: 207nMAssay Description:Inhibition of full length human recombinant FLAG-tagged HDAC1 expressed in HEK293F cells using FLUOR DE LYS as substrate preincubated for 3 hrs follo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetHistone deacetylase 2(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50544221(CHEMBL4639586)
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of full length human recombinant FLAG-tagged HDAC2 expressed in baculovirus infected Sf9 cells using FLUOR DE LYS as substrate preincubate...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetNuclear receptor corepressor 1(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50544221(CHEMBL4639586)
Affinity DataIC50: 90nMAssay Description:Inhibition of full length human recombinant FLAG-tagged HDAC3/His6-tagged SMRT (1 to 899 residues) expressed in HEK293F cells using FLUOR DE LYS as s...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetHistone deacetylase 6(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50544221(CHEMBL4639586)
Affinity DataIC50: 4.50E+4nMAssay Description:Inhibition of HDAC6 (unknown origin) using FLUOR DE LYS as substrate preincubated for 3 hrs followed by substrate addition and measured after 60 mins...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetHistone deacetylase 8(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50544221(CHEMBL4639586)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of human recombinant HDAC8 expressed in Escherichia coli using FLUOR DE LYS as substrate preincubated for 3 hrs followed by substrate addi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed