null

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

InChI Key InChIKey=AWDORCFLUJZUQS-ZDUSSCGKSA-N

PDB links: 6 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 14028   

TargetRho-associated protein kinase 2(Homo sapiens (Human))TBA
LigandPNGBDBM14028((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)copy SMILEScopy InChI
Affinity DataKi:  1.60nMMore data for this Ligand-Target Pair
In DepthDetails
TargetRho-associated protein kinase 1(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM14028((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)copy SMILEScopy InChI
Affinity DataKi:  6nMAssay Description:Inhibition of human ROCK1 by homogenous luciferase assayMore data for this Ligand-Target Pair
TargetRho-associated protein kinase 1(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM14028((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)copy SMILEScopy InChI
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
TargetSerine/threonine-protein kinase PLK4(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM14028((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28G8J11PubMed
TargetcAMP-dependent protein kinase catalytic subunit alpha(Mus musculus (mouse))
Vertex Pharmaceuticals

LigandPNGBDBM14028((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)copy SMILEScopy InChI
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
TargetMyosin light chain kinase, smooth muscle(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM14028((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)copy SMILEScopy InChI
Affinity DataKi:  1.01E+4nMAssay Description:Binding affinity at MLCKChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2DB82RHPubMed
TargetSerine/threonine-protein kinase PLK2(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM14028((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28G8J11PubMed
TargetSerine/threonine-protein kinase PLK1(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM14028((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28G8J11PubMed
TargetSerine/threonine-protein kinase PLK3(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM14028((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28G8J11PubMed
TargetcAMP-dependent protein kinase catalytic subunit alpha [L49I,V123M,Q181K,T183A](Bos taurus (bovine))
German Cancer Research Center

LigandPNGBDBM14028((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)copy SMILEScopy InChI
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
TargetcAMP-dependent protein kinase catalytic subunit alpha [L49I,V123M,E127D,Q181K,T183A](Bos taurus (bovine))
German Cancer Research Center

LigandPNGBDBM14028((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)copy SMILEScopy InChI
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
TargetRho-associated protein kinase 2(Bos taurus (bovine))
German Cancer Research Center

LigandPNGBDBM14028((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PG1PZVPubMed
TargetcAMP-dependent protein kinase catalytic subunit alpha [T183A](Bos taurus (bovine))
German Cancer Research Center

LigandPNGBDBM14028((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)copy SMILEScopy InChI
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
TargetcAMP-dependent protein kinase catalytic subunit alpha [V123M](Bos taurus (bovine))
German Cancer Research Center

LigandPNGBDBM14028((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)copy SMILEScopy InChI
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
TargetcAMP-dependent protein kinase catalytic subunit alpha [L49I](Bos taurus (bovine))
German Cancer Research Center

LigandPNGBDBM14028((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)copy SMILEScopy InChI
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
TargetRho-associated protein kinase 1(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM14028((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)copy SMILEScopy InChI
Affinity DataIC50: 5nMAssay Description:Inhibition of ROCK-1 (unknown origin)More data for this Ligand-Target Pair
TargetRho-associated protein kinase 2(Homo sapiens (Human))TBA
LigandPNGBDBM14028((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MP54VVPubMed
TargetRho-associated protein kinase 2(Homo sapiens (Human))TBA
LigandPNGBDBM14028((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KK9DP3PubMed
TargetRho-associated protein kinase 1(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM14028((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)copy SMILEScopy InChI
Affinity DataIC50: 30nMAssay Description:Inhibition of ROCK1 assessed as ATP cunsumptionMore data for this Ligand-Target Pair
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
The University of Sydney

Curated by ChEMBL
LigandPNGBDBM14028((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27P90SDPubMed
TargetRho-associated protein kinase 2(Homo sapiens (Human))TBA
LigandPNGBDBM14028((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)copy SMILEScopy InChI
Affinity DataIC50: 12nMAssay Description:Inhibition of human ROCK2 by IMAP assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2V125RDPubMed
TargetcAMP-dependent protein kinase catalytic subunit alpha(Bos taurus (bovine))
German Cancer Research Center

LigandPNGBDBM14028((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)copy SMILEScopy InChI
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
TargetcAMP-dependent protein kinase catalytic subunit alpha [V123M,Q181K,T183A](Bos taurus (bovine))
German Cancer Research Center

LigandPNGBDBM14028((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)copy SMILEScopy InChI
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
TargetcAMP-dependent protein kinase catalytic subunit alpha [L49I,Q181K,T183A](Bos taurus (bovine))
German Cancer Research Center

LigandPNGBDBM14028((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)copy SMILEScopy InChI
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
TargetcAMP-dependent protein kinase catalytic subunit alpha [E127D](Bos taurus (bovine))
German Cancer Research Center

LigandPNGBDBM14028((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)copy SMILEScopy InChI
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
TargetcAMP-dependent protein kinase catalytic subunit alpha [Q181K,T183A](Bos taurus (bovine))
German Cancer Research Center

LigandPNGBDBM14028((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)copy SMILEScopy InChI
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
TargetcAMP-dependent protein kinase catalytic subunit alpha [V123M,T183A](Bos taurus (bovine))
German Cancer Research Center

LigandPNGBDBM14028((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)copy SMILEScopy InChI
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