null

SMILES O=S(=O)(N1CCCNCC1)c1cccc2cnccc12

InChI Key InChIKey=NGOGFTYYXHNFQH-UHFFFAOYSA-N

PDB links: 15 PDB IDs match this monomer. 6 PDB IDs contain this monomer as substructures. 6 PDB IDs contain 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 77 hits for monomerid = 14027   

TargetRho-associated protein kinase 1(Homo sapiens (Human))
MSD

Curated by ChEMBL
LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataKi:  100nMAssay Description:Inhibition of ROCK-1More data for this Ligand-Target Pair
TargetRho-associated protein kinase 1/2(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataKi:  330nMAssay Description:Inhibition of ROCK (unknown origin)More data for this Ligand-Target Pair
TargetRho-associated protein kinase 1(Homo sapiens (Human))
MSD

Curated by ChEMBL
LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataKi:  330nMAssay Description:In vitro inhibition of angiotensin I converting enzyme in rabbit lung with hippuryl-histidyl-leucine as substrateMore data for this Ligand-Target Pair
TargetRho-associated protein kinase 2(Homo sapiens (Human))TBA
LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataKi:  330nMMore data for this Ligand-Target Pair
TargetRho-associated protein kinase 2(Rattus norvegicus (Rat))
Temple University

Curated by PDSP Ki Database
LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataKi:  330nMMore data for this Ligand-Target Pair
TargetcAMP-dependent protein kinase catalytic subunit alpha(Mus musculus (mouse))
Vertex Pharmaceuticals

LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataKi:  460nM ΔG°:  -8.78kcal/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
TargetRho-associated protein kinase 1(Homo sapiens (Human))
MSD

Curated by ChEMBL
LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataKi:  530nM ΔG°:  -8.70kcal/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
TargetRho-associated protein kinase 1(Homo sapiens (Human))
MSD

Curated by ChEMBL
LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataKi:  530nMAssay Description:Inhibition of human leukocytic ROCK1 expressed in insect cells using KKRNRTLSV as substrate after 10 mins by pyruvate kinase/lactate dehydrogenase co...More data for this Ligand-Target Pair
LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataKi:  1.60E+3nMMore data for this Ligand-Target Pair
TargetcGMP-dependent protein kinase 1(Homo sapiens (Human))
Temple University

Curated by PDSP Ki Database
LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataKi:  1.60E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PN9464PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
MSD

Curated by ChEMBL
LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataKi:  2.51E+4nMAssay Description:Displacement of [3H]dofetilide from human ERGMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q29W0GQKPubMed
TargetRho-associated protein kinase 1(Homo sapiens (Human))
MSD

Curated by ChEMBL
LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataIC50: 3.16E+3nMAssay Description:Inhibition of ROCK-1 by Immobilized metal ion affinity-based fluorescence polarization assayMore data for this Ligand-Target Pair
TargetRho-associated protein kinase 2(Homo sapiens (Human))TBA
LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataIC50: 1.35E+3nMAssay Description:Inhibition of ROCK-2 by Immobilized metal ion affinity-based fluorescence polarization assayMore data for this Ligand-Target Pair
TargetC-C motif chemokine 2(Homo sapiens (Human))
MSD

Curated by ChEMBL
LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataIC50: 6.92E+3nMAssay Description:Inhibition of MCP1-mediated human THP cell migrationMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q29W0GQKPubMed
TargetcAMP-dependent protein kinase catalytic subunit alpha(Bos taurus (bovine))
German Cancer Research Center

LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataIC50: 1.49E+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

LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataIC50: 893nMpH: 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](Bos taurus (bovine))
German Cancer Research Center

LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataIC50: 7.61E+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 [T183A](Bos taurus (bovine))
German Cancer Research Center

LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataIC50: 607nMAssay 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

LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataIC50: 2.45E+3nMAssay 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

LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataIC50: 541nMAssay 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

LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataIC50: 1.35E+3nMAssay 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

LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataIC50: 870nMAssay 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

LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataIC50: 1.95E+3nMAssay 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,Q181K,T183A](Bos taurus (bovine))
German Cancer Research Center

LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataIC50: 1.13E+3nMAssay 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

LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataIC50: 2.28E+3nMAssay 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

LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataIC50: 485nMAssay 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(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataIC50: 853nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
TargetRho-associated protein kinase 2(Homo sapiens (Human))TBA
LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataIC50: 71nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase 33(Homo sapiens (Human))
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataEC50:  9.58E+3nMAssay Description:Keywords: STK33 Kinase, Non-ATP Competitive Inhibitor Assay Overview: Purified STK33 Kinase is preincubated with potential inhibitors and allowed to ...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2B27SRFPCBioAssay
TargetRho-associated protein kinase 2(Rattus norvegicus (Rat))
Temple University

Curated by PDSP Ki Database
LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataIC50: 1.90E+3nMAssay Description:Inhibition of rat ROCK2 expressed in Sf9 cellsMore data for this Ligand-Target Pair
TargetRho-associated protein kinase 2(Homo sapiens (Human))TBA
LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataKd:  78nMAssay Description:Displacement of fluorescent-ARC-1063 from His6-tagged recombinant human ROCK2 by luminescence intensity assayMore data for this Ligand-Target Pair
TargetMyosin light chain kinase, smooth muscle(Homo sapiens (Human))
Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL
LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataIC50: 2.16E+4nMAssay Description:Inhibition of MLCK by HTRF assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22F7NQNPubMed
TargetMyotonin-protein kinase(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataIC50: 8.00E+3nMAssay Description:Inhibition of DMPKMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q21N819ZPubMed
TargetRho-associated protein kinase 2(Homo sapiens (Human))TBA
LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataIC50: 400nMAssay Description:Inhibition of ROCK2More data for this Ligand-Target Pair
TargetRho-associated protein kinase 1(Homo sapiens (Human))
MSD

Curated by ChEMBL
LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataIC50: 4.30E+3nMAssay Description:Inhibition of human ROCK1 by homogenous luciferase assayMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Kirin Brewery Co. Ltd.

Curated by ChEMBL
LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataIC50: 3.50E+4nMAssay Description:Inhibition of MCP1-induced chemotaxis in U937 cells overexpressing CCR2More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XS5V1MPubMed
TargetRho-associated protein kinase 1/2(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataIC50: 180nMAssay Description:Inhibition of Rho kinaseMore data for this Ligand-Target Pair
TargetRho-associated protein kinase 1(Homo sapiens (Human))
MSD

Curated by ChEMBL
LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataIC50: 260nMAssay Description:Inhibition of ROCK1 (unknown origin)More data for this Ligand-Target Pair
TargetRho-associated protein kinase 2(Homo sapiens (Human))TBA
LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataIC50: 320nMAssay Description:Inhibition of ROCK2 (unknown origin)More data for this Ligand-Target Pair
TargetRho-associated protein kinase 1(Homo sapiens (Human))
MSD

Curated by ChEMBL
LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataIC50: 660nMAssay Description:Inhibition of ROCK1More data for this Ligand-Target Pair
TargetProtein kinase C epsilon type(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of PrkceMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q21N819ZPubMed
TargetCell division control protein 42 homolog(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataIC50: 8.00E+3nMAssay Description:Inhibition of CDc42More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q21N819ZPubMed
TargetSerine/threonine-protein kinase N2(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataIC50: 780nMAssay Description:Inhibition of Prkcl2More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q21N819ZPubMed
TargetSerine/threonine-protein kinase N2(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataIC50: 4.00E+3nMAssay Description:Inhibition of His-tagged human PRK2 expressed in HEK293 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
LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+3nMAssay 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
TargetRho-associated protein kinase 1(Homo sapiens (Human))
MSD

Curated by ChEMBL
LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataIC50: 300nMAssay Description:Inhibition of human recombinant N-terminal his-tagged ROCK1 (3-543) expressed in baculovirus infected Sf9 cells using Biotin-Ahx-AKRRLSSLRA-CONH2 sub...More data for this Ligand-Target Pair
TargetRho-associated protein kinase 2(Homo sapiens (Human))TBA
LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataIC50: 1.90E+3nMAssay Description:Inhibition of Protein kinase ROCK2 (ROCKII)More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase N1(Homo sapiens (Human))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataIC50: 1.70E+3nMAssay Description:Inhibition of Protein kinase C related kinase 1 (PRK1)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2R78FZTPubMed
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Kirin Brewery Co. Ltd.

Curated by ChEMBL
LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataIC50: 3.50E+4nMAssay Description:Inhibition of MCP1-induced cell migration in U937 cells expressing CCR2 by chemotaxis assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T43TW5PubMed
TargetRho-associated protein kinase 1/2(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)copy SMILEScopy InChI
Affinity DataIC50: 180nMAssay Description:Inhibition of Rho kinaseMore data for this Ligand-Target Pair
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