BDBM3175 3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methyl-3-indolyl)-1H-pyrrole-2,5-dione Methanesulfonate::BIM-9::Bisindolylmaleimide 11b::Bisindolylmaleimide IX::CHEMBL6291::ROCHE screening, 57::Ro 31-8220::Ro31-8220::[(3-{3-[4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1H-indol-1-yl}propyl)sulfanyl]methanimidamide

SMILES [H]/N=C(/N)\SCCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C

InChI Key InChIKey=DSXXEELGXBCYNQ-UHFFFAOYSA-N

Data  36 IC50  1 Kd  1 ITC

PDB links: 2 PDB IDs match 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 37 hits for monomerid = 3175   

TargetMitogen-activated protein kinase kinase kinase 8(Human)
University of Florida

Curated by ChEMBL
LigandPNGBDBM3175(Bisindolylmaleimide 11b | Ro 31-8220 | CHEMBL6291 ...)
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 Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetNAD-dependent protein deacetylase sirtuin-2(Human)
Ernst-Moritz-Arndt University Greifswald

Curated by ChEMBL
LigandPNGBDBM3175(Bisindolylmaleimide 11b | Ro 31-8220 | CHEMBL6291 ...)
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 Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetNAD-dependent protein deacetylase sirtuin-3, mitochondrial(Human)
Ernst-Moritz-Arndt University Greifswald

Curated by ChEMBL
LigandPNGBDBM3175(Bisindolylmaleimide 11b | Ro 31-8220 | CHEMBL6291 ...)
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 Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetRibosomal protein S6 kinase alpha-3(Human)
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM3175(Bisindolylmaleimide 11b | Ro 31-8220 | CHEMBL6291 ...)
Affinity DataIC50: 10nMAssay Description:Inhibition of RSK2 after 60 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed
TargetMalate dehydrogenase(Thermus thermophilus)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM3175(Bisindolylmaleimide 11b | Ro 31-8220 | CHEMBL6291 ...)
Affinity DataIC50: 4.50E+4nMAssay Description:Inhibitory activity against malate dehydrogenase (MDH) from Thermus flavusMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2012
Entry Details Article
PubMed
TargetChymotrypsinogen B(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM3175(Bisindolylmaleimide 11b | Ro 31-8220 | CHEMBL6291 ...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibitory activity against Chymotrypsinogen from Thermus flavusMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2012
Entry Details Article
PubMed
TargetNAD-dependent protein deacetylase sirtuin-1(Human)
Institute

Curated by ChEMBL
LigandPNGBDBM3175(Bisindolylmaleimide 11b | Ro 31-8220 | CHEMBL6291 ...)
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 Depth
Date in BDB:
12/27/2012
Entry Details Article
PubMed
TargetNAD-dependent protein deacetylase HST2(Baker's yeast)
Institute

Curated by ChEMBL
LigandPNGBDBM3175(Bisindolylmaleimide 11b | Ro 31-8220 | CHEMBL6291 ...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of yeast Hst2 by fluorimetric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/27/2012
Entry Details Article
PubMed
TargetGlycogen synthase kinase-3 beta(Human)
Rockefeller University

Curated by ChEMBL
LigandPNGBDBM3175(Bisindolylmaleimide 11b | Ro 31-8220 | CHEMBL6291 ...)
Affinity DataIC50: 3nMAssay Description:Inhibition of GSK3-betaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/1/2013
Entry Details Article
PubMed
TargetGlycogen synthase kinase-3 beta(Rat)
University College Cork

Curated by ChEMBL
LigandPNGBDBM3175(Bisindolylmaleimide 11b | Ro 31-8220 | CHEMBL6291 ...)
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 Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetNAD-dependent protein deacetylase sirtuin-1(Human)
Institute

Curated by ChEMBL
LigandPNGBDBM3175(Bisindolylmaleimide 11b | Ro 31-8220 | CHEMBL6291 ...)
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 Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase VRK1(Human)
University of Florida

Curated by ChEMBL
LigandPNGBDBM3175(Bisindolylmaleimide 11b | Ro 31-8220 | CHEMBL6291 ...)
Affinity DataIC50: 743nMAssay Description:Inhibition of human VRK1 using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate by [gamma-33P]-ATP assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase VRK2(Human)
University of Florida

Curated by ChEMBL
LigandPNGBDBM3175(Bisindolylmaleimide 11b | Ro 31-8220 | CHEMBL6291 ...)
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 Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetMitogen-activated protein kinase kinase kinase kinase 1(Human)
University of Florida

Curated by ChEMBL
LigandPNGBDBM3175(Bisindolylmaleimide 11b | Ro 31-8220 | CHEMBL6291 ...)
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 Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetHomeodomain-interacting protein kinase 1(Human)
University of Florida

Curated by ChEMBL
LigandPNGBDBM3175(Bisindolylmaleimide 11b | Ro 31-8220 | CHEMBL6291 ...)
Affinity DataIC50: 621nMAssay Description:Inhibition of human HIPK1 using MBP as substrate by [gamma-33P]-ATP assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase 10(Human)
University of Campinas (Unicamp)

Curated by ChEMBL
LigandPNGBDBM3175(Bisindolylmaleimide 11b | Ro 31-8220 | CHEMBL6291 ...)
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 Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed
TargetCyclin-dependent kinase 12(Human)
Peking Union Medical College

Curated by ChEMBL
LigandPNGBDBM3175(Bisindolylmaleimide 11b | Ro 31-8220 | CHEMBL6291 ...)
Affinity DataIC50: 143nMAssay Description:Inhibition of CDK12/Cyclin K (unknown origin) preincubated for 10 mins followed by substrate and ATP addition measured after 200 mins by ADP-Glo lumi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
Peking Union Medical College

Curated by ChEMBL
LigandPNGBDBM3175(Bisindolylmaleimide 11b | Ro 31-8220 | CHEMBL6291 ...)
Affinity DataIC50: 206nMAssay Description:Inhibition of CDK13/Cyclin K (unknown origin) preincubated for 10 mins followed by substrate and ATP addition measured after 200 mins by ADP-Glo lumi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetRibosomal protein S6 kinase alpha-1(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM3175(Bisindolylmaleimide 11b | Ro 31-8220 | CHEMBL6291 ...)
Affinity DataIC50: 200nMAssay Description:Inhibition of RSK1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetNAD-dependent protein deacetylase sirtuin-2(Human)
Ernst-Moritz-Arndt University Greifswald

Curated by ChEMBL
LigandPNGBDBM3175(Bisindolylmaleimide 11b | Ro 31-8220 | CHEMBL6291 ...)
Affinity DataIC50: 800nMAssay Description:Inhibition of human recombinant SIRT2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
LigandPNGBDBM3175(Bisindolylmaleimide 11b | Ro 31-8220 | CHEMBL6291 ...)
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 Depth
Date in BDB:
1/25/2005
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase pim-1(Human)
Vertex Pharmaceuticals

LigandPNGBDBM3175(Bisindolylmaleimide 11b | Ro 31-8220 | CHEMBL6291 ...)
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 Depth
Date in BDB:
1/3/2007
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase TBK1(Human)
Technical University of Dortmund

LigandPNGBDBM3175(Bisindolylmaleimide 11b | Ro 31-8220 | CHEMBL6291 ...)
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 Depth
Date in BDB:
10/9/2015
Entry Details Article
PubMed
TargetRibosomal protein S6 kinase alpha-3(Human)
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM3175(Bisindolylmaleimide 11b | Ro 31-8220 | CHEMBL6291 ...)
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 Depth
Date in BDB:
8/14/2017
Entry Details Article
PubMed
TargetProtein kinase C alpha type(Human)
University of Dundee

Curated by ChEMBL
LigandPNGBDBM3175(Bisindolylmaleimide 11b | Ro 31-8220 | CHEMBL6291 ...)
Affinity DataIC50: 33nMAssay Description:Inhibition of His-tagged human PKCalpha expressed in Escherichia coliMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/10/2011
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase pim-1(Human)
Vertex Pharmaceuticals

LigandPNGBDBM3175(Bisindolylmaleimide 11b | Ro 31-8220 | CHEMBL6291 ...)
Affinity DataKd:  8nMAssay Description:Binding affinity to non phosphorylated PIM1More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/25/2014
Entry Details Article
PubMed
TargetProtein kinase C alpha type(Human)
University of Dundee

Curated by ChEMBL
LigandPNGBDBM3175(Bisindolylmaleimide 11b | Ro 31-8220 | CHEMBL6291 ...)
Affinity DataIC50: 33nMAssay Description:Inhibition of Protein kinase C alphaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2012
Entry Details Article
PubMed
TargetNAD-dependent protein deacetylase sirtuin-2(Human)
Ernst-Moritz-Arndt University Greifswald

Curated by ChEMBL
LigandPNGBDBM3175(Bisindolylmaleimide 11b | Ro 31-8220 | CHEMBL6291 ...)
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of human recombinant SIRT2 by radioactive deacetylase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetProtein kinase C beta type(Rat)
Roche Products

LigandPNGBDBM3175(Bisindolylmaleimide 11b | Ro 31-8220 | CHEMBL6291 ...)
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 Depth
Date in BDB:
1/25/2005
Entry Details Article
PubMed
TargetNAD-dependent protein deacetylase sirtuin-1(Human)
Institute

Curated by ChEMBL
LigandPNGBDBM3175(Bisindolylmaleimide 11b | Ro 31-8220 | CHEMBL6291 ...)
Affinity DataIC50: 3.50E+3nMAssay Description:Inhibition of human SIRT1More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetNAD-dependent protein deacetylase sirtuin-1(Human)
Institute

Curated by ChEMBL
LigandPNGBDBM3175(Bisindolylmaleimide 11b | Ro 31-8220 | CHEMBL6291 ...)
Affinity DataIC50: 5.10E+3nMAssay Description:Inhibition of human SIRT1 by radioactive deacetylase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetNAD-dependent protein deacetylase sirtuin-1(Human)
Institute

Curated by ChEMBL
LigandPNGBDBM3175(Bisindolylmaleimide 11b | Ro 31-8220 | CHEMBL6291 ...)
Affinity DataIC50: 3.50E+3nMAssay Description:Inhibition of human SIRT1 by fluorescent deacetylase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetNAD-dependent protein deacetylase sirtuin-2(Human)
Ernst-Moritz-Arndt University Greifswald

Curated by ChEMBL
LigandPNGBDBM3175(Bisindolylmaleimide 11b | Ro 31-8220 | CHEMBL6291 ...)
Affinity DataIC50: 800nMAssay Description:Inhibition of human recombinant SIRT2 by fluorescent deacetylase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGlycogen synthase kinase-3 beta(Human)
Rockefeller University

Curated by ChEMBL
LigandPNGBDBM3175(Bisindolylmaleimide 11b | Ro 31-8220 | CHEMBL6291 ...)
Affinity DataIC50: 2.80nMAssay Description:Inhibition of human GSK3-betaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/25/2010
Entry Details Article
PubMed
TargetGlycogen synthase kinase-3 beta(Human)
Rockefeller University

Curated by ChEMBL
LigandPNGBDBM3175(Bisindolylmaleimide 11b | Ro 31-8220 | CHEMBL6291 ...)
Affinity DataIC50: 38nMAssay Description:Inhibition of His-tagged human GSK3b expressed in Sf21 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/10/2011
Entry Details Article
PubMed
TargetRibosomal protein S6 kinase alpha-5(Human)
University of Dundee

Curated by ChEMBL
LigandPNGBDBM3175(Bisindolylmaleimide 11b | Ro 31-8220 | CHEMBL6291 ...)
Affinity DataIC50: 8nMAssay Description:Inhibition of His-tagged human MSK1 expressed in Sf9 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/10/2011
Entry Details Article
PubMed
TargetRibosomal protein S6 kinase beta-1(Human)
University of Dundee

Curated by ChEMBL
LigandPNGBDBM3175(Bisindolylmaleimide 11b | Ro 31-8220 | CHEMBL6291 ...)
Affinity DataIC50: 15nMAssay Description:Inhibition of His-tagged human S6K1 expressed in Escherichia coliMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/10/2011
Entry Details Article
PubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 3175   

CellPNGBDBM3175(Bisindolylmaleimide 11b | Ro 31-8220 | CHEMBL6291 ...)
Oxford University

ITC DataΔG°: -10.5kcal/mole −TΔS°: 0.223kcal/mole ΔH°: -10.7kcal/mole logk: 1.27E+8
pH: 7.5 T: 10.00°C