null

SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCSC(N)=N)c3ccccc23)c2ccccc12

InChI Key InChIKey=DSXXEELGXBCYNQ-UHFFFAOYSA-N

PDB links: 2 PDB IDs match this monomer. 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

  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 34 hits for monomerid = 3175   

TargetProtein kinase C beta type(Rattus norvegicus (rat))
Roche Products Limited

LigandPNGBDBM3175(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)copy SMILEScopy InChI
Affinity DataIC50: 10nMAssay Description:The activity of PKC, activated by phosphatidylerine and Ca2+, is measured by its ability to transfer phosphate from [gamma-32P]ATP to lysine-rich his...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2M043KKPubMed
TargetSerine/threonine-protein kinase 10(Homo sapiens (Human))TBA
LigandPNGBDBM3175(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)copy SMILEScopy InChI
Affinity DataIC50: 99nMAssay Description:Inhibition of STK10 (unknown origin) expressed in Sf9 cells assessed as transfer of radiolabelled phosphate group from ATP by reaction biology methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ST7TPKPubMed
TargetSerine/threonine-protein kinase pim-1(Homo sapiens (Human))
Vertex Pharmaceuticals

LigandPNGBDBM3175(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)copy SMILEScopy InChI
Affinity DataIC50: 10nMpH: 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2222S06PubMed
TargetSerine/threonine-protein kinase TBK1(Homo sapiens (Human))
Technical University of Dortmund

LigandPNGBDBM3175(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)copy SMILEScopy InChI
Affinity DataIC50: 656nMAssay Description:IC50 determinations for TBK1 were performed with the KinEASE-STK assay from Cisbio according to the manufacturer's instructions. A biotinylated s...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WH2NRBPubMed
TargetRibosomal protein S6 kinase alpha-3(Homo sapiens (Human))
East China University of Science and Technology

LigandPNGBDBM3175(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)copy SMILEScopy InChI
Affinity DataIC50: 10nMpH: 7.4 T: 2°CAssay Description:The inhibition assays against RSK2 in vitro were determined by ADP Quest® (DiscoveRx) in 96-well flat-bottom plates according to the manufacturer...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2DV1HT9PubMed
TargetProtein kinase C alpha type(Homo sapiens (Human))
University of Dundee

Curated by ChEMBL
LigandPNGBDBM3175(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)copy SMILEScopy InChI
Affinity DataIC50: 33nMAssay Description:Inhibition of His-tagged human PKCalpha expressed in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q24T6JKNPubMed
TargetSerine/threonine-protein kinase pim-1(Homo sapiens (Human))
Vertex Pharmaceuticals

LigandPNGBDBM3175(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)copy SMILEScopy InChI
Affinity DataKd:  8nMAssay Description:Binding affinity to non phosphorylated PIM1More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2Q52R4HPubMed
TargetProtein kinase C alpha type(Homo sapiens (Human))
University of Dundee

Curated by ChEMBL
LigandPNGBDBM3175(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)copy SMILEScopy InChI
Affinity DataIC50: 33nMAssay Description:Inhibition of Protein kinase C alphaMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2R78FZTPubMed
TargetNAD-dependent protein deacetylase sirtuin-2(Homo sapiens (Human))
Albert-Ludwigs-Universität Freiburg

Curated by ChEMBL
LigandPNGBDBM3175(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)copy SMILEScopy InChI
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of human recombinant SIRT2 by radioactive deacetylase assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2TQ616PPubMed
TargetNAD-dependent protein deacetylase sirtuin-2(Homo sapiens (Human))
Albert-Ludwigs-Universität Freiburg

Curated by ChEMBL
LigandPNGBDBM3175(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)copy SMILEScopy InChI
Affinity DataIC50: 800nMAssay Description:Inhibition of human recombinant SIRT2More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2TQ616PPubMed
TargetNAD-dependent protein deacetylase sirtuin-1(Homo sapiens (Human))
Albert-Ludwigs-Universität Freiburg

Curated by ChEMBL
LigandPNGBDBM3175(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)copy SMILEScopy InChI
Affinity DataIC50: 3.50E+3nMAssay Description:Inhibition of human SIRT1More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2TQ616PPubMed
TargetNAD-dependent protein deacetylase sirtuin-1(Homo sapiens (Human))
Albert-Ludwigs-Universität Freiburg

Curated by ChEMBL
LigandPNGBDBM3175(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)copy SMILEScopy InChI
Affinity DataIC50: 5.10E+3nMAssay Description:Inhibition of human SIRT1 by radioactive deacetylase assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2TQ616PPubMed
TargetNAD-dependent protein deacetylase sirtuin-1(Homo sapiens (Human))
Albert-Ludwigs-Universität Freiburg

Curated by ChEMBL
LigandPNGBDBM3175(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)copy SMILEScopy InChI
Affinity DataIC50: 3.50E+3nMAssay Description:Inhibition of human SIRT1 by fluorescent deacetylase assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2TQ616PPubMed
TargetNAD-dependent protein deacetylase sirtuin-2(Homo sapiens (Human))
Albert-Ludwigs-Universität Freiburg

Curated by ChEMBL
LigandPNGBDBM3175(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)copy SMILEScopy InChI
Affinity DataIC50: 800nMAssay Description:Inhibition of human recombinant SIRT2 by fluorescent deacetylase assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2TQ616PPubMed
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Sterling Road

Curated by ChEMBL
LigandPNGBDBM3175(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)copy SMILEScopy InChI
Affinity DataIC50: 2.80nMAssay Description:Inhibition of human GSK3betaMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2057FZXPubMed
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Sterling Road

Curated by ChEMBL
LigandPNGBDBM3175(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)copy SMILEScopy InChI
Affinity DataIC50: 38nMAssay Description:Inhibition of His-tagged human GSK3b expressed in Sf21 cellsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q24T6JKNPubMed
TargetRibosomal protein S6 kinase alpha-5(Homo sapiens (Human))
University of Dundee

Curated by ChEMBL
LigandPNGBDBM3175(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)copy SMILEScopy InChI
Affinity DataIC50: 8nMAssay Description:Inhibition of His-tagged human MSK1 expressed in Sf9 cellsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q24T6JKNPubMed
TargetRibosomal protein S6 kinase beta-1(Homo sapiens (Human))
University of Dundee

Curated by ChEMBL
LigandPNGBDBM3175(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)copy SMILEScopy InChI
Affinity DataIC50: 15nMAssay Description:Inhibition of His-tagged human S6K1 expressed in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q24T6JKNPubMed
TargetNAD-dependent protein deacetylase sirtuin-1(Homo sapiens (Human))
Albert-Ludwigs-Universität Freiburg

Curated by ChEMBL
LigandPNGBDBM3175(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)copy SMILEScopy InChI
Affinity DataIC50: 3.50E+3nMAssay Description:Inhibition of human recombinant N-terminally GST-tagged Sirt1 expressed in Escherichia coli using ZMAL as substrate after 4 hrs by homogeneous fluore...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XD121SPubMed
TargetNAD-dependent protein deacetylase sirtuin-2(Homo sapiens (Human))
Albert-Ludwigs-Universität Freiburg

Curated by ChEMBL
LigandPNGBDBM3175(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)copy SMILEScopy InChI
Affinity DataIC50: 800nMAssay Description:Inhibition of human N-terminally His6-tagged Sirt2 using ZMAL as substrate after 4 hrs by homogeneous fluorescent deacetylase assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XD121SPubMed
TargetNAD-dependent protein deacetylase sirtuin-3, mitochondrial(Homo sapiens (Human))
Ernst-Moritz-Arndt-University Greifswald

Curated by ChEMBL
LigandPNGBDBM3175(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)copy SMILEScopy InChI
Affinity DataIC50: 3.70E+3nMAssay Description:Inhibition of human C-terminally His6-tagged Sirt3 using ZMAL as substrate after 4 hrs by homogeneous fluorescent deacetylase assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XD121SPubMed
TargetRibosomal protein S6 kinase alpha-3(Homo sapiens (Human))
East China University of Science and Technology

LigandPNGBDBM3175(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)copy SMILEScopy InChI
Affinity DataIC50: 10nMAssay Description:Inhibition of RSK2 after 60 minsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26M374HPubMed
TargetMalate dehydrogenase(Thermus thermophilus)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM3175(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)copy SMILEScopy InChI
Affinity DataIC50: 4.50E+4nMAssay Description:Inhibitory activity against malate dehydrogenase (MDH) from Thermus flavusMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2R78FZTPubMed
TargetChymotrypsinogen B(Homo sapiens (Human))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM3175(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)copy SMILEScopy InChI
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibitory activity against Chymotrypsinogen from Thermus flavusMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2R78FZTPubMed
TargetNAD-dependent protein deacetylase sirtuin-1(Homo sapiens (Human))
Albert-Ludwigs-Universität Freiburg

Curated by ChEMBL
LigandPNGBDBM3175(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)copy SMILEScopy InChI
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of human full length SIRT1 expressed in DE3 cells by fluorimetric assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q21V5FWGPubMed
TargetNAD-dependent protein deacetylase HST2(Saccharomyces cerevisiae)
Institute

Curated by ChEMBL
LigandPNGBDBM3175(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)copy SMILEScopy InChI
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of yeast Hst2 by fluorimetric assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q21V5FWGPubMed
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Sterling Road

Curated by ChEMBL
LigandPNGBDBM3175(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)copy SMILEScopy InChI
Affinity DataIC50: 3nMAssay Description:Inhibition of GSK3-betaMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VX0HG5PubMed
TargetGlycogen synthase kinase-3 beta(Rattus norvegicus (rat))
University College Cork

Curated by ChEMBL
LigandPNGBDBM3175(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)copy SMILEScopy InChI
Affinity DataIC50: 6.80nMAssay 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q270843TPubMed
TargetMitogen-activated protein kinase kinase kinase 8(Homo sapiens (Human))
University of Florida

Curated by ChEMBL
LigandPNGBDBM3175(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)copy SMILEScopy InChI
Affinity DataIC50: 9.95E+3nMAssay Description:Inhibition of human COT1 using MEK1 as substrate by [gamma-33P]-ATP assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2W380MTPubMed
TargetSerine/threonine-protein kinase VRK1(Homo sapiens (Human))
University of Florida

Curated by ChEMBL
LigandPNGBDBM3175(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)copy SMILEScopy InChI
Affinity DataIC50: 743nMAssay Description:Inhibition of human VRK1 using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate by [gamma-33P]-ATP assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2W380MTPubMed
TargetSerine/threonine-protein kinase VRK2(Homo sapiens (Human))
University of Florida

Curated by ChEMBL
LigandPNGBDBM3175(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)copy SMILEScopy InChI
Affinity DataIC50: 1.64E+4nMAssay Description:Inhibition of human VRK2 using casein as substrate by [gamma-33P]-ATP assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2W380MTPubMed
TargetMitogen-activated protein kinase kinase kinase kinase 1(Homo sapiens (Human))
University of Florida

Curated by ChEMBL
LigandPNGBDBM3175(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)copy SMILEScopy InChI
Affinity DataIC50: 52.9nMAssay Description:Inhibition of human HPK1 using MBP as substrate by [gamma-33P]-ATP assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2W380MTPubMed
TargetHomeodomain-interacting protein kinase 1(Homo sapiens (Human))
University of Florida

Curated by ChEMBL
LigandPNGBDBM3175(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)copy SMILEScopy InChI
Affinity DataIC50: 621nMAssay Description:Inhibition of human HIPK1 using MBP as substrate by [gamma-33P]-ATP assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2W380MTPubMed
TargetcAMP-dependent protein kinase catalytic subunit alpha(Bos taurus (bovine))
Roche Products Limited

LigandPNGBDBM3175(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)copy SMILEScopy InChI
Affinity DataIC50: 900nMAssay 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2M043KKPubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 3175   

CellPNGBDBM3175(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)
Oxford University

SyringeSerine/threonine-protein kinase PIM(Homo sapiens (Human))
ITC DataΔG°: -10.5kcal/mole −TΔS°: 0.223kcal/mole ΔH°: -10.7kcal/mole logk: 1.27E+8
pH: 7.5 T: 10.00°C