null

SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(CCCCCCC(=O)NO)c2n1

InChI Key

  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 33 hits for monomerid = 50555461   

LigandPNGBDBM50555461(CHEMBL4749655)copy SMILES
Affinity DataIC50: 37nMAssay Description:Inhibition of human PI3Kdelta incubated for 1 hr by ADP-Glo kinase assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2765K0SPubMed
TargetHistone deacetylase 1(Homo sapiens (Human))TBA
LigandPNGBDBM50555461(CHEMBL4749655)copy SMILES
Affinity DataIC50: 1.10nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2TT4VZRPubMed
TargetHistone deacetylase 1(Homo sapiens (Human))TBA
LigandPNGBDBM50555461(CHEMBL4749655)copy SMILES
Affinity DataIC50: 2.70nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2765K0SPubMed
LigandPNGBDBM50555461(CHEMBL4749655)copy SMILES
Affinity DataIC50: 50nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2765K0SPubMed
TargetHistone deacetylase 1(Homo sapiens (Human))TBA
LigandPNGBDBM50555461(CHEMBL4749655)copy SMILES
Affinity DataIC50: 1.10nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2765K0SPubMed
TargetHistone deacetylase 2(Homo sapiens (Human))TBA
LigandPNGBDBM50555461(CHEMBL4749655)copy SMILES
Affinity DataIC50: 6nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2765K0SPubMed
LigandPNGBDBM50555461(CHEMBL4749655)copy SMILES
Affinity DataIC50: 1.10nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2765K0SPubMed
TargetHistone deacetylase 4(Homo sapiens (Human))TBA
LigandPNGBDBM50555461(CHEMBL4749655)copy SMILES
Affinity DataIC50: 4.59E+3nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2765K0SPubMed
TargetHistone deacetylase 5(Homo sapiens (Human))TBA
LigandPNGBDBM50555461(CHEMBL4749655)copy SMILES
Affinity DataIC50: 4.80E+3nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2765K0SPubMed
TargetHistone deacetylase 6(Homo sapiens (Human))TBA
LigandPNGBDBM50555461(CHEMBL4749655)copy SMILES
Affinity DataIC50: 4.20nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2765K0SPubMed
TargetHistone deacetylase 7(Homo sapiens (Human))TBA
LigandPNGBDBM50555461(CHEMBL4749655)copy SMILES
Affinity DataIC50: 2.31E+3nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2765K0SPubMed
TargetHistone deacetylase 8(Homo sapiens (Human))TBA
LigandPNGBDBM50555461(CHEMBL4749655)copy SMILES
Affinity DataIC50: 320nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2765K0SPubMed
TargetHistone deacetylase 9(Homo sapiens (Human))TBA
LigandPNGBDBM50555461(CHEMBL4749655)copy SMILES
Affinity DataIC50: 1.28E+3nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2765K0SPubMed
TargetPolyamine deacetylase HDAC10(Homo sapiens (Human))TBA
LigandPNGBDBM50555461(CHEMBL4749655)copy SMILES
Affinity DataIC50: 2.5nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2765K0SPubMed
TargetHistone deacetylase 11(Homo sapiens (Human))TBA
LigandPNGBDBM50555461(CHEMBL4749655)copy SMILES
Affinity DataIC50: 9.70E+3nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2765K0SPubMed
LigandPNGBDBM50555461(CHEMBL4749655)copy SMILES
Affinity DataIC50: 28nMAssay Description:Inhibition of human PI3Kalpha incubated for 1 hr by ADP-Glo kinase assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2765K0SPubMed
LigandPNGBDBM50555461(CHEMBL4749655)copy SMILES
Affinity DataIC50: 212nMAssay Description:Inhibition of human PI3Kbeta incubated for 1 hr by ADP-Glo kinase assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2765K0SPubMed
LigandPNGBDBM50555461(CHEMBL4749655)copy SMILES
Affinity DataIC50: 177nMAssay Description:Inhibition of human PI3Kgamma incubated for 1 hr by ADP-Glo kinase assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2765K0SPubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))TBA
LigandPNGBDBM50555461(CHEMBL4749655)copy SMILES
Affinity DataIC50: 1.95E+3nMAssay Description:Inhibition of human mTORMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2765K0SPubMed
LigandPNGBDBM50555461(CHEMBL4749655)copy SMILES
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of human PI3K2alpha incubated for 1 hr by ADP-Glo kinase assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2765K0SPubMed
LigandPNGBDBM50555461(CHEMBL4749655)copy SMILES
Affinity DataIC50: 103nMAssay Description:Inhibition of PI3K2beta (unknown origin) incubated for 1 hr by ADP-Glo kinase assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2765K0SPubMed
TargetDNA-dependent protein kinase catalytic subunit(Homo sapiens (Human))TBA
LigandPNGBDBM50555461(CHEMBL4749655)copy SMILES
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human DNA-PKMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2765K0SPubMed
LigandPNGBDBM50555461(CHEMBL4749655)copy SMILES
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
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2765K0SPubMed
TargetPhosphatidylinositol 4-kinase beta(Homo sapiens (Human))TBA
LigandPNGBDBM50555461(CHEMBL4749655)copy SMILES
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
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2765K0SPubMed
TargetHistone deacetylase 6(Homo sapiens (Human))TBA
LigandPNGBDBM50555461(CHEMBL4749655)copy SMILES
Affinity DataEC50:  190nMAssay Description:Inhibition of HDAC6 in human MCF7 cells assessed as increase in acetylated alpha-tubulin at Lys40 residue incubated for 3 hrs by ELISAMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2765K0SPubMed
LigandPNGBDBM50555461(CHEMBL4749655)copy SMILES
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human ERG by fluorescence polarization assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2765K0SPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50555461(CHEMBL4749655)copy SMILES
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
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2765K0SPubMed
LigandPNGBDBM50555461(CHEMBL4749655)copy SMILES
Affinity DataKd:  3.5nMAssay Description:Inhibition of human wild type partial length PI3Kalpha (R108 to N1068 residues) expressed in mammalian expression system by Kinomescan methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2765K0SPubMed
LigandPNGBDBM50555461(CHEMBL4749655)copy SMILES
Affinity DataKd:  86nMAssay Description:Inhibition of human wild type partial length PI3Kgamma (S144 to A1102 residues) expressed in mammalian expression system by Kinomescan methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2765K0SPubMed
LigandPNGBDBM50555461(CHEMBL4749655)copy SMILES
Affinity DataKd:  41nMAssay Description:Inhibition of human wild type partial length PI3Kdelta (R108 to Q1044 residues) expressed in mammalian expression system by Kinomescan methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2765K0SPubMed
LigandPNGBDBM50555461(CHEMBL4749655)copy SMILES
Affinity DataKd:  4.90nMAssay Description:Inhibition of PI3K2beta (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2765K0SPubMed
LigandPNGBDBM50555461(CHEMBL4749655)copy SMILES
Affinity DataKd:  41nMAssay Description:Inhibition of human PI3Kdelta incubated for 1 hr by ADP-Glo kinase assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2765K0SPubMed