BDBM50098414 CHEMBL3593247

SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2

InChI Key InChIKey=VEDPEVJAYWVUSJ-UHFFFAOYSA-N

Data  17 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 17 hits for monomerid = 50098414   

TargetHistone deacetylase 8(Human)
Duke University

Curated by ChEMBL
LigandPNGBDBM50098414(CHEMBL3593247)
Affinity DataIC50: 102nMAssay Description:Inhibition of full length C-terminal His-tagged human HDAC8 expressed in baculovirus infected Sf9 insect cells using BPS HDAC class 2a substrate afte...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2019
Entry Details Article
PubMed
TargetHistone deacetylase 1(Human)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50098414(CHEMBL3593247)
Affinity DataIC50: 2nMAssay Description:Inhibition of recombinant full length C-terminal FLAG/His-tagged human HDAC1 expressed in baculovirus infected Sf9 cells using Ac-peptide-AMC as subs...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMed
TargetHistone deacetylase 6(Human)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50098414(CHEMBL3593247)
Affinity DataIC50: 121nMAssay Description:Inhibition of recombinant human HDAC6 using Ac-peptide-AMC as substrate preincubated for 15 mins followed by substrate addition and measured after 60...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMed
TargetHistone deacetylase 8(Human)
Duke University

Curated by ChEMBL
LigandPNGBDBM50098414(CHEMBL3593247)
Affinity DataIC50: 3.80nMAssay Description:Inhibition of full length C-terminal His-tagged human HDAC8 expressed in baculovirus infected Sf9 cells using Ac-peptide-AMC as substrate preincubate...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMed
LigandPNGBDBM50098414(CHEMBL3593247)
Affinity DataIC50: 15nMAssay Description:Inhibition of human recombinant full length C-terminal His-tagged HDAC3 (1 to 428 residues)/N-terminal GST-tagged NCOR2 (395 to 489 residues) express...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMed
TargetHistone deacetylase 2(Human)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50098414(CHEMBL3593247)
Affinity DataIC50: 9.5nMAssay Description:Inhibition of recombinant full length human HDAC2 expressed in baculovirus infected Sf9 cells using Ac-peptide-AMC as substrate preincubated for 15 m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMed
TargetHistone deacetylase 8(Human)
Duke University

Curated by ChEMBL
LigandPNGBDBM50098414(CHEMBL3593247)
Affinity DataIC50: 102nMAssay Description:Inhibition of HDAC8 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMed
TargetHistone deacetylase 1(Human)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50098414(CHEMBL3593247)
Affinity DataIC50: 0.400nMAssay Description:Inhibition of recombinant full length C-terminal His/FLAG-tagged human HDAC1 expressed in baculovirus infected Sf9 insect cells using BPS HDAC substr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2019
Entry Details Article
PubMed
TargetPolyamine deacetylase HDAC10(Human)
Duke University

Curated by ChEMBL
LigandPNGBDBM50098414(CHEMBL3593247)
Affinity DataIC50: 0.5nMAssay Description:Inhibition of N-terminal GST-tagged/C-terminal His-tagged human HDAC10 (1 to 481 residues) expressed in baculovirus infected Sf9 insect cells using B...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2019
Entry Details Article
PubMed
TargetHistone deacetylase 1(Human)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50098414(CHEMBL3593247)
Affinity DataIC50: 2.5nMAssay Description:Inhibition of recombinant full-length HDAC1 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/25/2016
Entry Details Article
PubMed
TargetHistone deacetylase 6(Human)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50098414(CHEMBL3593247)
Affinity DataIC50: 42nMAssay Description:Inhibition of full length N-terminal GST-tagged human HDAC6 expressed in baculovirus infected Sf9 insect cells using HDAC substrate 3 after 30 mins b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2019
Entry Details Article
PubMed
TargetHistone deacetylase 2(Human)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50098414(CHEMBL3593247)
Affinity DataIC50: 0.900nMAssay Description:Inhibition of full length C-terminal FLAG-tagged human HDAC2 expressed in baculovirus infected Sf9 insect cells using BPS HDAC substrate 3 after 30 m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2019
Entry Details Article
PubMed
LigandPNGBDBM50098414(CHEMBL3593247)
Affinity DataIC50: 0.700nMAssay Description:Inhibition of full length human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 (395 to 489 residues) expressed in baculovirus infected Sf9 i...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2019
Entry Details Article
PubMed
TargetHistone deacetylase 8(Human)
Duke University

Curated by ChEMBL
LigandPNGBDBM50098414(CHEMBL3593247)
Affinity DataIC50: 228nMAssay Description:Inhibition of recombinant full-length HDAC8 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/25/2016
Entry Details Article
PubMed
TargetHistone deacetylase 6(Human)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50098414(CHEMBL3593247)
Affinity DataIC50: 28nMAssay Description:Inhibition of recombinant full-length HDAC6 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/25/2016
Entry Details Article
PubMed
TargetHistone deacetylase 3(Human)
Colorado State University

Curated by ChEMBL
LigandPNGBDBM50098414(CHEMBL3593247)
Affinity DataIC50: 2.80nMAssay Description:Inhibition of recombinant full-length HDAC3 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/25/2016
Entry Details Article
PubMed
TargetHistone deacetylase 2(Human)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50098414(CHEMBL3593247)
Affinity DataIC50: 4.20nMAssay Description:Inhibition of recombinant full-length HDAC2 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/25/2016
Entry Details Article
PubMed