null
SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12
InChI Key InChIKey=QMGUOJYZJKLOLH-UHFFFAOYSA-N
PDB links: 5 PDB IDs match this monomer. 3 PDB IDs contain this monomer as substructures. 3 PDB IDs contain inhibitors having a similarity of 90% to this monomer.
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 37 hits for monomerid = 2683
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
TCG Lifesciences Ltd.
Curated by ChEMBL
TCG Lifesciences Ltd.
Curated by ChEMBL
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
Affinity DataIC50: 191nMAssay Description:Inhibition of GSK3beta (unknown origin) expressed in Sf9 cells using GS1 as substrate and [gamma32]ATP after 30 min by scinitllation countingMore data for this Ligand-Target Pair
Affinity DataIC50: 10nMAssay Description:The activity of PKC, activated by phosphatidylserine and Ca2+, is measured by its ability to transfer phosphate from [gamma-32P]ATP to lysine-rich hi...More data for this Ligand-Target Pair
TargetcAMP-dependent protein kinase catalytic subunit alpha(Rattus norvegicus (rat))
Laboratoires Glaxo
Laboratoires Glaxo
Affinity DataIC50: 2.00E+3nMAssay Description:The activity of PKA, activated by cAMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone.More data for this Ligand-Target Pair
TargetPhosphorylase b kinase regulatory subunit alpha, skeletal muscle isoform(Oryctolagus cuniculus (rabbit))
Laboratoires Glaxo
Laboratoires Glaxo
Affinity DataIC50: 700nMAssay Description:The activity of PK is measured by its ability to transfer from [gamma-32P]ATP to phosphorylase b.More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D1(Homo sapiens (Human))
DCR&T, Lilly Spain S.A.
DCR&T, Lilly Spain S.A.
Affinity DataIC50: 990nMpH: 7.0 T: 2°CAssay Description:In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
DCR&T, Lilly Spain S.A.
DCR&T, Lilly Spain S.A.
Affinity DataIC50: 1.02E+4nMT: 2°CAssay Description:In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....More data for this Ligand-Target Pair
Affinity DataIC50: 2.00E+4nMT: 2°CAssay Description:In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...More data for this Ligand-Target Pair
Affinity DataIC50: 150nMpH: 7.6 T: 2°CAssay Description:A coupled-enzyme assay was used to quantify the ADP generated in the kinase reaction with S6 peptide (RRRLSSLRA) as the phosphoacceptorsubstrate.More data for this Ligand-Target Pair
Target3-phosphoinositide-dependent protein kinase 1 [51-359](Homo sapiens (Human))
University of Dundee
University of Dundee
Affinity DataIC50: 9.00E+3nMpH: 7.5 T: 2°CAssay Description:In vitro PDK1 assay using purified enzyme, was incubated with substrate PDKtide, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P inco...More data for this Ligand-Target Pair
3D Structure (crystal)Affinity DataIC50: 8.70nMpH: 7.4 T: 2°CAssay Description:Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...More data for this Ligand-Target Pair
Affinity DataIC50: 6.60nMT: 2°CAssay Description:Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...More data for this Ligand-Target Pair
Affinity DataIC50: 10nMT: 2°CAssay Description:Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...More data for this Ligand-Target Pair
Affinity DataIC50: 6.70nMT: 2°CAssay Description:Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...More data for this Ligand-Target Pair
Affinity DataIC50: 2.30nMpH: 7.4 T: 2°CAssay Description:Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...More data for this Ligand-Target Pair
Affinity DataIC50: 1.60nMpH: 7.4 T: 2°CAssay Description:Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...More data for this Ligand-Target Pair
Affinity DataIC50: 10nMAssay Description:Inhibition of Protein kinase C alphaMore data for this Ligand-Target Pair
Affinity DataKd: 10nMAssay Description:Binding affinity to non phosphorylated PIM1More data for this Ligand-Target Pair
Affinity DataIC50: 27nMAssay Description:Inhibitory activity against PIM1More data for this Ligand-Target Pair
TargetNAD-dependent protein deacetylase sirtuin-1(Homo sapiens (Human))
Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of human SIRT1 by fluorescent deacetylase assayMore data for this Ligand-Target Pair
TargetNAD-dependent protein deacetylase sirtuin-1(Homo sapiens (Human))
Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
Affinity DataIC50: 2.30E+4nMAssay Description:Inhibition of human SIRT1 by radioactive deacetylase assayMore data for this Ligand-Target Pair
TargetNAD-dependent protein deacetylase sirtuin-2(Homo sapiens (Human))
Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
Affinity DataIC50: 7.30E+3nMAssay Description:Inhibition of human recombinant SIRT2 by fluorescent deacetylase assayMore data for this Ligand-Target Pair
TargetNAD-dependent protein deacetylase sirtuin-1(Homo sapiens (Human))
Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of human SIRT1More data for this Ligand-Target Pair
TargetNAD-dependent protein deacetylase sirtuin-2(Homo sapiens (Human))
Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
Affinity DataIC50: 1.17E+4nMAssay Description:Inhibition of human recombinant SIRT2 by radioactive deacetylase assayMore data for this Ligand-Target Pair
TargetNAD-dependent protein deacetylase sirtuin-2(Homo sapiens (Human))
Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
Affinity DataIC50: 7.30E+3nMAssay Description:Inhibition of human recombinant SIRT2More data for this Ligand-Target Pair
Affinity DataIC50: 6nMAssay Description:Inhibition of human PKCepsilonMore data for this Ligand-Target Pair
Affinity DataIC50: 32nMAssay Description:Inhibition of human PKCdeltaMore data for this Ligand-Target Pair
TargetProtein kinase C gamma type(Homo sapiens (Human))
University of California-San Francisco
Curated by ChEMBL
University of California-San Francisco
Curated by ChEMBL
Affinity DataIC50: 30nMAssay Description:Inhibition of human PKCgammaMore data for this Ligand-Target Pair
TargetProtein kinase C iota type(Homo sapiens (Human))
University of California-San Francisco
Curated by ChEMBL
University of California-San Francisco
Curated by ChEMBL
Affinity DataIC50: 3.46E+3nMAssay Description:Inhibition of human PKCiotaMore data for this Ligand-Target Pair
TargetMO15-related protein kinase Pfmrk(Plasmodium falciparum)
Walter Reed Army Institute of Research
Curated by ChEMBL
Walter Reed Army Institute of Research
Curated by ChEMBL
Affinity DataIC50: 2.40E+4nMAssay Description:Inhibition of Plasmodium falciparum cyclin-dependent kinaseMore data for this Ligand-Target Pair
Affinity DataIC50: 5.80E+3nMAssay Description:Inhibition of PKCzetaChecked by AuthorMore data for this Ligand-Target Pair
Affinity DataIC50: 1.50E+3nMAssay Description:Protection against Bacillus anthracis lethal toxin-mediated cytotoxicity in mouse RAW264.7 cells assessed as change in viability after 24 hrs by WST1...More data for this Ligand-Target Pair
Affinity DataIC50: 190nMAssay Description:Inhibition of GSK3-betaMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3(Homo sapiens (Human))
The Rockefeller University
Curated by ChEMBL
The Rockefeller University
Curated by ChEMBL
Affinity DataIC50: 2.30E+3nMAssay Description:Inhibition of CDK1/cyclinBMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3(Homo sapiens (Human))
The Rockefeller University
Curated by ChEMBL
The Rockefeller University
Curated by ChEMBL
Affinity DataIC50: 1.90E+4nMAssay Description:Inhibitory concentration was determined by measuring phoshporylation of H1 histone using active human Cell division cycle 2-cyclin B complexMore data for this Ligand-Target Pair
TargetGlycogen synthase kinase-3 beta(Rattus norvegicus (rat))
University College Cork
Curated by ChEMBL
University College Cork
Curated by ChEMBL
Affinity DataIC50: 360nMAssay Description:Inhibition of Wistar rat GSK-3beta using RRAAEELDSRAGS(P)PQL as substrate after 15 mins in presence of [gamma-32P]-ATP by scintillation counting meth...More data for this Ligand-Target Pair
Affinity DataIC50: 1.00E+5nMpH: 7.4 T: 2°CAssay Description:IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] lab...More data for this Ligand-Target Pair
Activity Spreadsheet -- ITC Data from BindingDB
Found 1 hit for monomerid = 2683
ITC DataΔG°: -10.4kcal/mole −TΔS°: 3.84kcal/mole ΔH°: -14.3kcal/mole logk: 9.86E+7
pH: 7.5 T: 10.00°C
pH: 7.5 T: 10.00°C