BDBM15211 CHEMBL104264::H-89::H89::HT-89 (H-89)::N-(2-{[(2E)-3-(4-bromophenyl)prop-2-en-1-yl]amino}ethyl)isoquinoline-5-sulfonamide::N-[2-[[(E)-3-(4-bromophenyl)prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide

SMILES c1cc2cnccc2c(c1)S(=O)(=O)NCCNC\C=C\c3ccc(cc3)Br

InChI Key InChIKey=ZKZXNDJNWUTGDK-UHFFFAOYSA-N

Data  15 KI  24 IC50  4 Kd

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 43 hits for monomerid = 15211   

TargetRAC-alpha serine/threonine-protein kinase(Human)
Zhejiang University

Curated by ChEMBL
LigandPNGBDBM15211(CHEMBL104264 | H89 | N-(2-{[(2E)-3-(4-bromophenyl)...)
Affinity DataIC50: 1.80E+3nMAssay Description:Inhibition of GST-tagged PKB/Akt1 incubated for 5 mins before eNOS substrate and ATP addition measured after 30 mins by kinase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/21/2012
Entry Details Article
PubMed
TargetRho-associated protein kinase 2(Rat)
University of Dundee

Curated by ChEMBL
LigandPNGBDBM15211(CHEMBL104264 | H89 | N-(2-{[(2E)-3-(4-bromophenyl)...)
Affinity DataIC50: 270nMAssay Description:Inhibition of rat ROCK2 expressed in Sf9 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/10/2011
Entry Details Article
PubMed
LigandPNGBDBM15211(CHEMBL104264 | H89 | N-(2-{[(2E)-3-(4-bromophenyl)...)
Affinity DataIC50: 590nMpH: 7.2 T: 2°CAssay Description:The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/1/2007
Entry Details Article
PubMed
TargetRAC-alpha serine/threonine-protein kinase(Human)
Zhejiang University

Curated by ChEMBL
LigandPNGBDBM15211(CHEMBL104264 | H89 | N-(2-{[(2E)-3-(4-bromophenyl)...)
Affinity DataIC50: 1.60E+3nMAssay Description:Inhibition of AKT1 by FRET based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2010
Entry Details Article
PubMed
LigandPNGBDBM15211(CHEMBL104264 | H89 | N-(2-{[(2E)-3-(4-bromophenyl)...)
Affinity DataIC50: 300nMAssay Description:Inhibition of AKT2 by FRET based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2010
Entry Details Article
PubMed
TargetRAC-gamma serine/threonine-protein kinase(Human)
Torrey Pines Institute For Molecular Studies

Curated by ChEMBL
LigandPNGBDBM15211(CHEMBL104264 | H89 | N-(2-{[(2E)-3-(4-bromophenyl)...)
Affinity DataIC50: 200nMAssay Description:Inhibition of AKT3 by FRET based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2010
Entry Details Article
PubMed
LigandPNGBDBM15211(CHEMBL104264 | H89 | N-(2-{[(2E)-3-(4-bromophenyl)...)
Affinity DataIC50: 590nMAssay Description:Inhibition of PKBbeta by radiometric filter binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/1/2010
Entry Details Article
PubMed
TargetRAC-alpha serine/threonine-protein kinase(Human)
Zhejiang University

Curated by ChEMBL
LigandPNGBDBM15211(CHEMBL104264 | H89 | N-(2-{[(2E)-3-(4-bromophenyl)...)
Affinity DataIC50: 2.60E+3nMAssay Description:Inhibition of human PKBalpha 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 alpha-5(Human)
University of Dundee

Curated by ChEMBL
LigandPNGBDBM15211(CHEMBL104264 | H89 | N-(2-{[(2E)-3-(4-bromophenyl)...)
Affinity DataIC50: 120nMAssay 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
LigandPNGBDBM15211(CHEMBL104264 | H89 | N-(2-{[(2E)-3-(4-bromophenyl)...)
Affinity DataIC50: 80nMAssay 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
TargetRho-associated protein kinase 2(Human)
University of Tartu

Curated by ChEMBL
LigandPNGBDBM15211(CHEMBL104264 | H89 | N-(2-{[(2E)-3-(4-bromophenyl)...)
Affinity DataKd:  24nMAssay Description:Displacement of fluorescent-ARC-1063 from His6-tagged recombinant human ROCK2 by luminescence intensity assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetMO15-related protein kinase Pfmrk(malaria parasite P. falciparum)
Institute of Research

Curated by ChEMBL
LigandPNGBDBM15211(CHEMBL104264 | H89 | N-(2-{[(2E)-3-(4-bromophenyl)...)
Affinity DataIC50: 5.00E+5nMAssay Description:Inhibition of Plasmodium falciparum PfmrkMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2012
Entry Details Article
PubMed
TargetRAC-alpha serine/threonine-protein kinase(Human)
Zhejiang University

Curated by ChEMBL
LigandPNGBDBM15211(CHEMBL104264 | H89 | N-(2-{[(2E)-3-(4-bromophenyl)...)
Affinity DataIC50: 1.72E+3nMAssay Description:Inhibition of Akt1 (unknown origin) using ATP/eNOS as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMed
TargetRAC-alpha serine/threonine-protein kinase(Human)
Zhejiang University

Curated by ChEMBL
LigandPNGBDBM15211(CHEMBL104264 | H89 | N-(2-{[(2E)-3-(4-bromophenyl)...)
Affinity DataIC50: 2.20E+3nMAssay Description:Inhibition of AKT1 (unknown origin) using ATP/eNOS as substrate incubated for 5 mins prior to substrate addition measured after 30 mins by fluorescen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2014
Entry Details Article
PubMed
TargetRho-associated protein kinase 2(Human)
University of Tartu

Curated by ChEMBL
LigandPNGBDBM15211(CHEMBL104264 | H89 | N-(2-{[(2E)-3-(4-bromophenyl)...)
Affinity DataIC50: 270nMAssay Description:Inhibition of ROCK2More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
LigandPNGBDBM15211(CHEMBL104264 | H89 | N-(2-{[(2E)-3-(4-bromophenyl)...)
Affinity DataIC50: 590nMAssay Description:Inhibition of PKBbeta recombinant by radiometric filter binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetGlycogen synthase kinase-3 beta(Human)
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM15211(CHEMBL104264 | H89 | N-(2-{[(2E)-3-(4-bromophenyl)...)
Affinity DataIC50: 1.50E+4nMAssay Description:Inhibition of GSK3-beta in human PC3M cells by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetRho-associated protein kinase 2(Human)
University of Tartu

Curated by ChEMBL
LigandPNGBDBM15211(CHEMBL104264 | H89 | N-(2-{[(2E)-3-(4-bromophenyl)...)
Affinity DataKd:  24nMAssay Description:Displacement of fluorescent-ARC-1063 from His6-tagged recombinant human ROCK2 by luminescence intensity assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetcAMP-dependent protein kinase catalytic subunit gamma(Human)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM15211(CHEMBL104264 | H89 | N-(2-{[(2E)-3-(4-bromophenyl)...)
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of PKA-mediated phosphorylation of kemptide at 100 uMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2020
Entry Details Article
PubMed
TargetcAMP-dependent protein kinase catalytic subunit gamma(Human)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM15211(CHEMBL104264 | H89 | N-(2-{[(2E)-3-(4-bromophenyl)...)
Affinity DataIC50: 50nMAssay Description:Inhibition of PKA (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetRAC-alpha serine/threonine-protein kinase(Human)
Zhejiang University

Curated by ChEMBL
LigandPNGBDBM15211(CHEMBL104264 | H89 | N-(2-{[(2E)-3-(4-bromophenyl)...)
Affinity DataIC50: 1.70E+3nMpH: 7.5 T: 2°CAssay Description:In vitro kinase assays were carried out using HTScan PKB/Akt1 Kinase Assay kit (Cell Signaling Technology). Active recombinant Akt1 kinase (GST fusio...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/5/2015
Entry Details Article
PubMed
LigandPNGBDBM15211(CHEMBL104264 | H89 | N-(2-{[(2E)-3-(4-bromophenyl)...)
Affinity DataIC50: 73nMpH: 7.2 T: 2°CAssay Description:The recombinant alpha catalytic subunit of bovine PKA was assayed with a peptide substrate and test compound in the presence of 40 uM ATP/ [gamma-33P...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/1/2007
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM15211(CHEMBL104264 | H89 | N-(2-{[(2E)-3-(4-bromophenyl)...)
Affinity DataIC50: 590nMAssay Description:The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2007
Entry Details Article
PubMed
LigandPNGBDBM15211(CHEMBL104264 | H89 | N-(2-{[(2E)-3-(4-bromophenyl)...)
Affinity DataIC50: 73nMAssay Description:The recombinant alpha catalytic subunit of bovine PKA was assayed with a peptide substrate and test compound in the presence of 40 uM ATP/ [gamma-33P...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2007
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM15211(CHEMBL104264 | H89 | N-(2-{[(2E)-3-(4-bromophenyl)...)
Affinity DataKd:  23nMpH: 7.5 T: 2°CAssay Description:The assay is based on the kinase-bound labeled fluorescent probe can be displaced by competitive inhibitors, which can be registered by measurement o...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetRho-associated protein kinase 2(Human)
University of Tartu

Curated by ChEMBL
LigandPNGBDBM15211(CHEMBL104264 | H89 | N-(2-{[(2E)-3-(4-bromophenyl)...)
Affinity DataKd:  31nMpH: 7.5 T: 2°CAssay Description:The assay is based on the kinase-bound labeled fluorescent probe can be displaced by competitive inhibitors, which can be registered by measurement o...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/10/2009
Entry Details Article
PubMed
LigandPNGBDBM15211(CHEMBL104264 | H89 | N-(2-{[(2E)-3-(4-bromophenyl)...)
Affinity DataIC50: 100nMAssay Description:The IC50 values of the inhibitors corresponding to the concentration of the inhibitor decreasing the enzyme activity 50% were measured using fluoresc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetRAC-gamma serine/threonine-protein kinase(Human)
Torrey Pines Institute For Molecular Studies

Curated by ChEMBL
LigandPNGBDBM15211(CHEMBL104264 | H89 | N-(2-{[(2E)-3-(4-bromophenyl)...)
Affinity DataIC50: 662nMAssay Description:The IC50 values of the inhibitors corresponding to the concentration of the inhibitor decreasing the enzyme activity 50% were measured using fluoresc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/10/2009
Entry Details Article
PubMed
TargetcAMP-dependent protein kinase catalytic subunit alpha(Human)
Nagoya University School of Medicine

LigandPNGBDBM15211(CHEMBL104264 | H89 | N-(2-{[(2E)-3-(4-bromophenyl)...)
Affinity DataKi:  48nM ΔG°:  -10.1kcal/moleT: 2°CAssay Description:Protein kinase C, cAMP dependent protein kinase, cGMP dependent protein kinase and myosin light chain kinase activity were measure under conditions d...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2012
Entry Details
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM15211(CHEMBL104264 | H89 | N-(2-{[(2E)-3-(4-bromophenyl)...)
Affinity DataKi:  50nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/10/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetRho-associated protein kinase 2(Rat)
University of Dundee

Curated by ChEMBL
LigandPNGBDBM15211(CHEMBL104264 | H89 | N-(2-{[(2E)-3-(4-bromophenyl)...)
Affinity DataKi:  270nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/10/2012
Entry Details Article
PubMed
TargetcGMP-dependent protein kinase 1(Human)
Nagoya University School of Medicine

LigandPNGBDBM15211(CHEMBL104264 | H89 | N-(2-{[(2E)-3-(4-bromophenyl)...)
Affinity DataKi:  480nM ΔG°:  -8.76kcal/moleT: 2°CAssay Description:Protein kinase C, cAMP dependent protein kinase, cGMP dependent protein kinase and myosin light chain kinase activity were measure under conditions d...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2012
Entry Details
PubMed
TargetcGMP-dependent protein kinase 1(Human)
Nagoya University School of Medicine

LigandPNGBDBM15211(CHEMBL104264 | H89 | N-(2-{[(2E)-3-(4-bromophenyl)...)
Affinity DataKi:  500nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/10/2012
Entry Details Article
PubMed
TargetMyosin light chain kinase, smooth muscle(Chicken)
Institute For Biochemistry

Curated by ChEMBL
LigandPNGBDBM15211(CHEMBL104264 | H89 | N-(2-{[(2E)-3-(4-bromophenyl)...)
Affinity DataKi:  2.83E+4nMAssay Description:Inhibitory constant against MLCKMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/24/2012
Entry Details Article
PubMed
TargetMyosin light chain kinase, smooth muscle(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM15211(CHEMBL104264 | H89 | N-(2-{[(2E)-3-(4-bromophenyl)...)
Affinity DataKi:  2.83E+4nMAssay Description:Binding affinity at MLCKMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetMyosin light chain kinase 3(Human)
Nagoya University School of Medicine

LigandPNGBDBM15211(CHEMBL104264 | H89 | N-(2-{[(2E)-3-(4-bromophenyl)...)
Affinity DataKi:  2.83E+4nM ΔG°:  -6.30kcal/moleT: 2°CAssay Description:Protein kinase C, cAMP dependent protein kinase, cGMP dependent protein kinase and myosin light chain kinase activity were measure under conditions d...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2012
Entry Details
PubMed
TargetCalcium/calmodulin-dependent protein kinase type II subunit beta(Human)
Nagoya University School of Medicine

LigandPNGBDBM15211(CHEMBL104264 | H89 | N-(2-{[(2E)-3-(4-bromophenyl)...)
Affinity DataKi:  2.97E+4nM ΔG°:  -6.28kcal/moleT: 2°CAssay Description:Protein kinase C, cAMP dependent protein kinase, cGMP dependent protein kinase and myosin light chain kinase activity were measure under conditions d...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2012
Entry Details
PubMed
TargetCalcium/calmodulin-dependent protein kinase kinase 2(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM15211(CHEMBL104264 | H89 | N-(2-{[(2E)-3-(4-bromophenyl)...)
Affinity DataKi:  2.97E+4nMAssay Description:Inhibition of CaM-KKbetaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetProtein kinase C alpha type(Human)
Nagoya University School of Medicine

LigandPNGBDBM15211(CHEMBL104264 | H89 | N-(2-{[(2E)-3-(4-bromophenyl)...)
Affinity DataKi:  3.17E+4nM ΔG°:  -6.24kcal/moleT: 2°CAssay Description:Protein kinase C, cAMP dependent protein kinase, cGMP dependent protein kinase and myosin light chain kinase activity were measure under conditions d...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2012
Entry Details
PubMed
TargetCasein kinase I isoform alpha(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM15211(CHEMBL104264 | H89 | N-(2-{[(2E)-3-(4-bromophenyl)...)
Affinity DataKi:  3.83E+4nMAssay Description:Inhibition of casein kinase 1More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetCasein kinase I isoform alpha(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM15211(CHEMBL104264 | H89 | N-(2-{[(2E)-3-(4-bromophenyl)...)
Affinity DataKi:  3.83E+4nM ΔG°:  -6.12kcal/moleT: 2°CAssay Description:Protein kinase C, cAMP dependent protein kinase, cGMP dependent protein kinase and myosin light chain kinase activity were measure under conditions d...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2012
Entry Details
PubMed
TargetCasein kinase II subunit alpha (Human)
Institute For Biochemistry

Curated by ChEMBL
LigandPNGBDBM15211(CHEMBL104264 | H89 | N-(2-{[(2E)-3-(4-bromophenyl)...)
Affinity DataKi:  1.37E+5nMAssay Description:Inhibitory constant against bovine CK2More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/24/2012
Entry Details Article
PubMed
TargetCasein kinase II subunit alpha(Human)
Nagoya University School of Medicine

LigandPNGBDBM15211(CHEMBL104264 | H89 | N-(2-{[(2E)-3-(4-bromophenyl)...)
Affinity DataKi:  1.37E+5nM ΔG°:  -5.36kcal/moleT: 2°CAssay Description:Protein kinase C, cAMP dependent protein kinase, cGMP dependent protein kinase and myosin light chain kinase activity were measure under conditions d...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2012
Entry Details
PubMed