BDBM50552760 CHEMBL4745088

SMILES CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1cnc2ccccc2c1

InChI Key InChIKey=SIENTSAPLQGLGF-UHFFFAOYSA-N

Data  12 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50552760   

TargetHistone deacetylase 3(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50552760(CHEMBL4745088)
Affinity DataIC50: 0.300nMAssay 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
LigandPNGBDBM50552760(CHEMBL4745088)
Affinity DataIC50: 0.400nMAssay 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 3(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50552760(CHEMBL4745088)
Affinity DataIC50: 0.600nMAssay Description:Inhibition of HDAC3 (unknown origin) using compound purified by traditional preparative 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
LigandPNGBDBM50552760(CHEMBL4745088)
Affinity DataIC50: 0.900nMAssay Description:Inhibition of HDAC1 (unknown origin) using compound purified by traditional preparative 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
LigandPNGBDBM50552760(CHEMBL4745088)
Affinity DataIC50: 0.980nMAssay 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
LigandPNGBDBM50552760(CHEMBL4745088)
Affinity DataIC50: 1.10nMAssay 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
LigandPNGBDBM50552760(CHEMBL4745088)
Affinity DataIC50: 2.30nMAssay 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
TargetHistone deacetylase 2(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50552760(CHEMBL4745088)
Affinity DataIC50: 4.20nMAssay Description:Inhibition of HDAC2 (unknown origin) using compound purified by traditional preparative 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
LigandPNGBDBM50552760(CHEMBL4745088)
Affinity DataIC50: 5.80nMAssay 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 6(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50552760(CHEMBL4745088)
Affinity DataIC50: 1.50E+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
TargetHistone deacetylase 8(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50552760(CHEMBL4745088)
Affinity DataIC50: 8.60E+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
LigandPNGBDBM50552760(CHEMBL4745088)
Affinity DataIC50: 1.10E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/26/2023
Entry Details
PubMed