BDBM50606547 CHEMBL5219006

SMILES CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1ccc2nc(CC)ccc2c1

InChI Key InChIKey=YMGFKZMMMPLPMK-UHFFFAOYSA-N

Data  6 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 6 hits for monomerid = 50606547   

TargetHistone deacetylase 1(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50606547(CHEMBL5219006)
Affinity DataIC50: 0.320nMAssay Description:Inhibition of recombinant human HDAC1 using BML-KI104 as substrate preincubated for 3 hrs followed by substrate addition measured after 60 mins by mo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/26/2023
Entry Details
PubMed
TargetHistone deacetylase 3(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50606547(CHEMBL5219006)
Affinity DataIC50: 0.340nMAssay Description:Inhibition of human full length FLAG-tagged HDAC3 expressed in HEK293F cells using BML-KI104 as substrate preincubated for 3 hrs followed by substrat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/26/2023
Entry Details
PubMed
TargetHistone deacetylase 2(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50606547(CHEMBL5219006)
Affinity DataIC50: 2.30nMAssay Description:Inhibition of human full length FLAG-tagged HDAC2 expressed in baculovirus infected Sf9 cells using BML-KI104 as substrate preincubated for 3 hrs fol...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/26/2023
Entry Details
PubMed
TargetHistone deacetylase 8(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50606547(CHEMBL5219006)
Affinity DataIC50: 1.60E+3nMAssay Description:Inhibition of HDAC8 (unknown origin) using BML-KI178 as substrate preincubated for 3 hrs followed by substrate addition measured after 60 mins by mod...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/26/2023
Entry Details
PubMed
TargetHistone deacetylase 6(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50606547(CHEMBL5219006)
Affinity DataIC50: 2.90E+3nMAssay Description:Inhibition of HDAC6 (unknown origin) using BML-KI104 as substrate preincubated for 3 hrs followed by substrate addition measured after 60 mins by mod...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/26/2023
Entry Details
PubMed
LigandPNGBDBM50606547(CHEMBL5219006)
Affinity DataIC50: 1.90E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/26/2023
Entry Details
PubMed