BDBM14028 (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE::4-methyl-5-{[(2S)-2-methyl-1,4-diazepane-1-]sulfonyl}isoquinoline::H-1152::H-1152P

SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12

InChI Key InChIKey=AWDORCFLUJZUQS-UHFFFAOYSA-N

Data  9 KI  18 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 14028   

LigandPNGBDBM14028(H-1152 | 4-methyl-5-{[(2S)-2-methyl-1,4-diazepane-...)
Affinity DataIC50: 89nMAssay Description:The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2007
Entry Details Article
PubMed
TargetRho-associated protein kinase 1(Human)
Novartis Horsham Research Centre

Curated by ChEMBL
LigandPNGBDBM14028(H-1152 | 4-methyl-5-{[(2S)-2-methyl-1,4-diazepane-...)
Affinity DataIC50: 5nMAssay Description:Inhibition of ROCK-1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/8/2016
Entry Details Article
PubMed
TargetRho-associated protein kinase 2(Human)
Novartis Horsham Research Centre

Curated by ChEMBL
LigandPNGBDBM14028(H-1152 | 4-methyl-5-{[(2S)-2-methyl-1,4-diazepane-...)
Affinity DataIC50: 5nMAssay Description:Inhibition of human recombinant ROCK-2 using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate after 40 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/8/2016
Entry Details Article
PubMed
TargetRho-associated protein kinase 2(Human)
Novartis Horsham Research Centre

Curated by ChEMBL
LigandPNGBDBM14028(H-1152 | 4-methyl-5-{[(2S)-2-methyl-1,4-diazepane-...)
Affinity DataIC50: 12nMAssay Description:Inhibition of human ROCK-2 using S6 peptide as substrate after 5 mins in presence of [gamma-32P]-ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/28/2017
Entry Details Article
PubMed
TargetRho-associated protein kinase 1(Human)
Novartis Horsham Research Centre

Curated by ChEMBL
LigandPNGBDBM14028(H-1152 | 4-methyl-5-{[(2S)-2-methyl-1,4-diazepane-...)
Affinity DataIC50: 30nMAssay Description:Inhibition of ROCK1 assessed as ATP cunsumptionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/20/2010
Entry Details Article
PubMed
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Human)
The University of Sydney

Curated by ChEMBL
LigandPNGBDBM14028(H-1152 | 4-methyl-5-{[(2S)-2-methyl-1,4-diazepane-...)
Affinity DataIC50: 244nMAssay Description:Inhibition of human N-terminal GST-tagged LRRK2 after 1 hr by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetRho-associated protein kinase 2(Human)
Novartis Horsham Research Centre

Curated by ChEMBL
LigandPNGBDBM14028(H-1152 | 4-methyl-5-{[(2S)-2-methyl-1,4-diazepane-...)
Affinity DataIC50: 12nMAssay Description:Inhibition of human ROCK2 by IMAP assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/28/2012
Entry Details Article
PubMed
TargetcAMP-dependent protein kinase catalytic subunit alpha(Bovine)
German Cancer Research Center

LigandPNGBDBM14028(H-1152 | 4-methyl-5-{[(2S)-2-methyl-1,4-diazepane-...)
Affinity DataIC50: 394nMpH: 6.8 T: 2°CAssay Description:The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2007
Entry Details Article
PubMed
TargetRho-associated protein kinase 2(Bovine)
German Cancer Research Center

LigandPNGBDBM14028(H-1152 | 4-methyl-5-{[(2S)-2-methyl-1,4-diazepane-...)
Affinity DataIC50: 45nMAssay Description:The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2007
Entry Details Article
PubMed
LigandPNGBDBM14028(H-1152 | 4-methyl-5-{[(2S)-2-methyl-1,4-diazepane-...)
Affinity DataIC50: 149nMAssay Description:The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2007
Entry Details Article
PubMed
LigandPNGBDBM14028(H-1152 | 4-methyl-5-{[(2S)-2-methyl-1,4-diazepane-...)
Affinity DataIC50: 223nMAssay Description:The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2007
Entry Details Article
PubMed
LigandPNGBDBM14028(H-1152 | 4-methyl-5-{[(2S)-2-methyl-1,4-diazepane-...)
Affinity DataIC50: 58nMAssay Description:The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2007
Entry Details Article
PubMed
LigandPNGBDBM14028(H-1152 | 4-methyl-5-{[(2S)-2-methyl-1,4-diazepane-...)
Affinity DataIC50: 293nMAssay Description:The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2007
Entry Details Article
PubMed
LigandPNGBDBM14028(H-1152 | 4-methyl-5-{[(2S)-2-methyl-1,4-diazepane-...)
Affinity DataIC50: 109nMAssay Description:The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2007
Entry Details Article
PubMed
TargetcAMP-dependent protein kinase catalytic subunit alpha [E127D](Bovine)
German Cancer Research Center

LigandPNGBDBM14028(H-1152 | 4-methyl-5-{[(2S)-2-methyl-1,4-diazepane-...)
Affinity DataIC50: 493nMAssay Description:The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2007
Entry Details Article
PubMed
TargetcAMP-dependent protein kinase catalytic subunit alpha [T183A](Bovine)
German Cancer Research Center

LigandPNGBDBM14028(H-1152 | 4-methyl-5-{[(2S)-2-methyl-1,4-diazepane-...)
Affinity DataIC50: 109nMAssay Description:The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2007
Entry Details Article
PubMed
TargetcAMP-dependent protein kinase catalytic subunit alpha [V123M](Bovine)
German Cancer Research Center

LigandPNGBDBM14028(H-1152 | 4-methyl-5-{[(2S)-2-methyl-1,4-diazepane-...)
Affinity DataIC50: 1.52E+3nMpH: 6.8 T: 2°CAssay Description:The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2007
Entry Details Article
PubMed
TargetcAMP-dependent protein kinase catalytic subunit alpha [L49I](Bovine)
German Cancer Research Center

LigandPNGBDBM14028(H-1152 | 4-methyl-5-{[(2S)-2-methyl-1,4-diazepane-...)
Affinity DataIC50: 426nMpH: 6.8 T: 2°CAssay Description:The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2007
Entry Details Article
PubMed
TargetRho-associated protein kinase 2(Human)
Novartis Horsham Research Centre

Curated by ChEMBL
LigandPNGBDBM14028(H-1152 | 4-methyl-5-{[(2S)-2-methyl-1,4-diazepane-...)
Affinity DataKi:  1.60nMAssay Description:Inhibition of ROCK2 (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetRho-associated protein kinase 1(Human)
Novartis Horsham Research Centre

Curated by ChEMBL
LigandPNGBDBM14028(H-1152 | 4-methyl-5-{[(2S)-2-methyl-1,4-diazepane-...)
Affinity DataKi:  6nMAssay Description:Inhibition of human ROCK1 by homogenous luciferase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/28/2012
Entry Details Article
PubMed
TargetRho-associated protein kinase 1(Human)
Novartis Horsham Research Centre

Curated by ChEMBL
LigandPNGBDBM14028(H-1152 | 4-methyl-5-{[(2S)-2-methyl-1,4-diazepane-...)
Affinity DataKi:  6nM ΔG°:  -11.4kcal/molepH: 7.6 T: 2°CAssay Description:The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2007
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase PLK4(Human)
Abbott Laboratories

LigandPNGBDBM14028(H-1152 | 4-methyl-5-{[(2S)-2-methyl-1,4-diazepane-...)
Affinity DataKi:  120nMAssay Description:Kinase was assayed in 384-well polypropylene plate format. The compound was mixed with kinase and biotinylated peptide substrate and incubated. After...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/27/2008
Entry Details Article
PubMed
LigandPNGBDBM14028(H-1152 | 4-methyl-5-{[(2S)-2-methyl-1,4-diazepane-...)
Affinity DataKi:  340nM ΔG°:  -8.97kcal/molepH: 7.6 T: 2°CAssay Description:The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2007
Entry Details Article
PubMed
TargetMyosin light chain kinase, smooth muscle(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM14028(H-1152 | 4-methyl-5-{[(2S)-2-methyl-1,4-diazepane-...)
Affinity DataKi:  1.01E+4nMAssay Description:Binding affinity at MLCKMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase PLK3(Human)
Abbott Laboratories

LigandPNGBDBM14028(H-1152 | 4-methyl-5-{[(2S)-2-methyl-1,4-diazepane-...)
Affinity DataKi: >2.00E+4nMAssay Description:Kinase was assayed in 384-well polypropylene plate format. The compound was mixed with kinase and biotinylated peptide substrate and incubated. After...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/27/2008
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase PLK2(Human)
Abbott Laboratories

LigandPNGBDBM14028(H-1152 | 4-methyl-5-{[(2S)-2-methyl-1,4-diazepane-...)
Affinity DataKi: >2.00E+4nM ΔG°: >-6.34kcal/molepH: 7.5 T: 2°CAssay Description:Kinase was assayed in 384-well polypropylene plate format. The compound was mixed with kinase and biotinylated peptide substrate and incubated. After...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/27/2008
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase PLK1(Human)
Abbott Laboratories

LigandPNGBDBM14028(H-1152 | 4-methyl-5-{[(2S)-2-methyl-1,4-diazepane-...)
Affinity DataKi: >2.00E+4nM ΔG°: >-6.34kcal/molepH: 7.5 T: 2°CAssay Description:Kinase was assayed in 384-well polypropylene plate format. The compound was mixed with kinase and biotinylated peptide substrate and incubated. After...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/27/2008
Entry Details Article
PubMed