BDBM50555460 CHEMBL4785064

SMILES Nc1ccc(cn1)-c1nc(N2CCOCC2)c2ncn(CCCCCCC(=O)NO)c2n1

InChI Key InChIKey=IXTBKGBJNGTKQS-UHFFFAOYSA-N

Data  25 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 50555460   

TargetPolyamine deacetylase HDAC10(Human)
A*Star

Curated by ChEMBL
LigandPNGBDBM50555460(CHEMBL4785064)
Affinity DataIC50: 1.70nMAssay Description:Inhibition of N-terminal FLAG-tagged human HDAC10 (2 to 631 residues) expressed in baculovirus infected Sf9 cells using fluorogenic HDAC substrate 3 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
A*Star

Curated by ChEMBL
LigandPNGBDBM50555460(CHEMBL4785064)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes in presence of IPA as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
LigandPNGBDBM50555460(CHEMBL4785064)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human ERG by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetPhosphatidylinositol 4-kinase beta(Human)
A*Star

Curated by ChEMBL
LigandPNGBDBM50555460(CHEMBL4785064)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human PI4kbeta incubated for 1 hr by ADP-Glo kinase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
LigandPNGBDBM50555460(CHEMBL4785064)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human PIK3C3 incubated for 1 hr by ADP-Glo kinase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
LigandPNGBDBM50555460(CHEMBL4785064)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human DNA-PKMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
LigandPNGBDBM50555460(CHEMBL4785064)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of PI3K2beta (unknown origin) incubated for 1 hr by ADP-Glo kinase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
LigandPNGBDBM50555460(CHEMBL4785064)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human PI3K2alpha incubated for 1 hr by ADP-Glo kinase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase mTOR(Human)
A*Star

Curated by ChEMBL
LigandPNGBDBM50555460(CHEMBL4785064)
Affinity DataIC50: 374nMAssay Description:Inhibition of human mTORMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
LigandPNGBDBM50555460(CHEMBL4785064)
Affinity DataIC50: 793nMAssay Description:Inhibition of human PI3Kgamma incubated for 1 hr by ADP-Glo kinase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
LigandPNGBDBM50555460(CHEMBL4785064)
Affinity DataIC50: 1.66E+3nMAssay Description:Inhibition of human PI3Kbeta incubated for 1 hr by ADP-Glo kinase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
LigandPNGBDBM50555460(CHEMBL4785064)
Affinity DataIC50: 198nMAssay Description:Inhibition of human PI3Kalpha incubated for 1 hr by ADP-Glo kinase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetHistone deacetylase 11(Human)
A*Star

Curated by ChEMBL
LigandPNGBDBM50555460(CHEMBL4785064)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human full length HDAC11 expressed in baculovirus infected Sf9 cells using fluorogenic HDAC class2a as substrate measured after 30 mins...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
LigandPNGBDBM50555460(CHEMBL4785064)
Affinity DataIC50: 301nMAssay Description:Inhibition of human PI3Kdelta incubated for 1 hr by ADP-Glo kinase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetHistone deacetylase 9(Human)
A*Star

Curated by ChEMBL
LigandPNGBDBM50555460(CHEMBL4785064)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of C-terminal His-tagged human HDAC9 (604 to 1066 residues) expressed in baculovirus infected Sf9 cells using fluorogenic HDAC class2a as ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetHistone deacetylase 8(Human)
A*Star

Curated by ChEMBL
LigandPNGBDBM50555460(CHEMBL4785064)
Affinity DataIC50: 184nMAssay Description:Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expressed in baculovirus infected Sf9 cells using fluorogenic HDAC class2a as...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetHistone deacetylase 7(Human)
A*Star

Curated by ChEMBL
LigandPNGBDBM50555460(CHEMBL4785064)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of N-terminal GST-tagged human HDAC7 (518 to end residues) expressed in baculovirus infected Sf9 cells using fluorogenic HDAC class2a as s...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetHistone deacetylase 6(Human)
A*Star

Curated by ChEMBL
LigandPNGBDBM50555460(CHEMBL4785064)
Affinity DataIC50: 4.60nMAssay Description:Inhibition of recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 cells using fluorogenic HDAC substrate 3 measured a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetHistone deacetylase 5(Human)
A*Star

Curated by ChEMBL
LigandPNGBDBM50555460(CHEMBL4785064)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of HDAC5 (unknown origin) using fluorogenic HDAC class2a as substrate measured after 30 mins by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetHistone deacetylase 4(Human)
A*Star

Curated by ChEMBL
LigandPNGBDBM50555460(CHEMBL4785064)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant human N-terminal GST-tagged and C-terminal His-tagged HDAC4 (627 to 1084 end residues) expressed in baculovirus infected Sf...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
LigandPNGBDBM50555460(CHEMBL4785064)
Affinity DataIC50: 2nMAssay Description:Inhibition of recombinant human C-terminal His-tagged HDAC3 (1 to 428 end residues)/N-terminal GST-tagged recombinant human NCoR2 (395 to 489 residue...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetHistone deacetylase 2(Human)
A*Star

Curated by ChEMBL
LigandPNGBDBM50555460(CHEMBL4785064)
Affinity DataIC50: 4nMAssay Description:Inhibition of HDAC2 (unknown origin) using fluorogenic HDAC substrate 3 incubated for 30 mins by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetHistone deacetylase 1(Human)
A*Star

Curated by ChEMBL
LigandPNGBDBM50555460(CHEMBL4785064)
Affinity DataIC50: 1nMAssay Description:Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC1 (1 to 482 end residues) expressed in baculovirus infected Sf9 cells usin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
LigandPNGBDBM50555460(CHEMBL4785064)
Affinity DataIC50: 196nMAssay Description:Inhibition of human full-length recombinant p110alpha/p85alpha co-expressed in baculovirus expression system using PIP2:PS lipid as substrate incubat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetHistone deacetylase 1(Human)
A*Star

Curated by ChEMBL
LigandPNGBDBM50555460(CHEMBL4785064)
Affinity DataIC50: 0.850nMAssay Description:Inhibition of HDAC1 in human HeLa nuclear extract using Boc-Lys(Ac)-AMC as substrate measured after 2 hrs by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed