BDBM14027 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline::5-(1,4-diazepane-1-sulfonyl)isoquinoline::AT877::CHEMBL38380::CHEMBL541388::Fasudil (HA-1077)::HA-1077::US20240246972, Compound Fasudil::US9687483, Fasudil::cid_163751

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

InChI Key InChIKey=NGOGFTYYXHNFQH-UHFFFAOYSA-N

Data  11 KI  66 IC50  3 Kd  1 EC50

PDB links: 15 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 81 hits for monomerid = 14027   

TargetSerine/threonine-protein kinase N1(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
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
PubMed
TargetCell division control protein 42 homolog(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of Cdc42More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetRho-associated protein kinase 1(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
Affinity DataIC50: 4.30E+3nMAssay Description:Inhibition of human ROCK1 by homogenous luciferase assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetRho-associated protein kinase 2(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
Affinity DataIC50: 660nMAssay Description:Inhibition of human ROCK2 by IMAP assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetMyosin light chain kinase, smooth muscle(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
Affinity DataIC50: 3.60E+3nMAssay Description:Inhibition of myosin light chain kinaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetRho-associated protein kinase 2(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
Affinity DataIC50: 158nMAssay Description:Inhibition of ROCK2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetMO15-related protein kinase Pfmrk(malaria parasite P. falciparum)
Institute of Research

Curated by ChEMBL
LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
Affinity DataIC50: 5.00E+5nMAssay Description:Inhibition of Plasmodium falciparum PfmrkMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetRho-associated protein kinase 1/2(Human)
Kirin Brewery

Curated by ChEMBL
LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
Affinity DataIC50: 180nMAssay Description:Inhibition of Rho kinaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetC-C chemokine receptor type 2(Human)
Kirin Brewery

Curated by ChEMBL
LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
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
PubMed
TargetProtein kinase C epsilon type(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of PKCepsilonMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetRho-associated protein kinase 2(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
Affinity DataIC50: 1.90E+3nMAssay Description:Inhibition of Protein kinase ROCK2 (ROCKII)More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetRho-associated protein kinase 1(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
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
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetRibosomal protein S6 kinase alpha-5(Human)
University of Dundee

Curated by ChEMBL
LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of His-tagged human MSK1 expressed in Sf9 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSerine/threonine-protein kinase N2(Human)
University of Dundee

Curated by ChEMBL
LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
Affinity DataIC50: 4.00E+3nMAssay Description:Inhibition of His-tagged human PRK2 expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSerine/threonine-protein kinase N2(Human)
University of Dundee

Curated by ChEMBL
LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
Affinity DataIC50: 780nMAssay Description:Inhibition of Prkcl2More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCell division control protein 42 homolog(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
Affinity DataIC50: 8.00E+3nMAssay Description:Inhibition of CDc42More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProtein kinase C epsilon type(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of PrkceMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetRho-associated protein kinase 1(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
Affinity DataIC50: 660nMAssay Description:Inhibition of ROCK1More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetRho-associated protein kinase 2(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
Affinity DataIC50: 509nMAssay Description:Inhibition of ROCK2 (unknown origin) using 2-biotin as substrate measured after 15 to 60 mins by HTRF assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetRho-associated protein kinase 2(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
Affinity DataIC50: 158nMAssay Description:Inhibition of ROCK2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
Affinity DataIC50: 4.58E+3nMAssay Description:Inhibition of PKA (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetRho-associated protein kinase 2(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
Affinity DataKd:  45nMAssay Description:Compounds were tested using an 11-point curve with 3-fold serial dilutions. IC50 determinations were made using an ATP concentration of 10 uM. The hi...More data for this Ligand-Target Pair
In DepthDetails
US Patent
PDB3D3D Structure (crystal)
TargetRho-associated protein kinase 1(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
Affinity DataKd:  50nMAssay Description:Compounds were tested using an 11-point curve with 3-fold serial dilutions. IC50 determinations were made using an ATP concentration of 10 uM. The hi...More data for this Ligand-Target Pair
In DepthDetails
US Patent
PDB3D3D Structure (crystal)
TargetRho-associated protein kinase 1(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
Affinity DataIC50: 940nMAssay Description:Inhibition of ROCK1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetRho-associated protein kinase 2(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
Affinity DataIC50: 220nMAssay Description:Inhibition of ROCK2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetRho-associated protein kinase 1(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
Affinity DataIC50: 260nMAssay Description:Inhibition of ROCK1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetRho-associated protein kinase 2(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
Affinity DataIC50: 320nMAssay Description:Inhibition of ROCK2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetRho-associated protein kinase 2(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
Affinity DataIC50: 320nMAssay Description:Inhibition of ROCK2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetRho-associated protein kinase 2(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
Affinity DataIC50: 659nMAssay Description:Inhibition of ROCK2 (unknown origin) using 2-biotin as substrate measured after 15 to 60 mins by HTRF assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetRho-associated protein kinase 2(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
Affinity DataIC50: 370nMAssay Description:Inhibition of ROCK2 (unknown origin) using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK-peptide as substrate incubated for 30 mins in presence of [gamma-33P]-ATPMore data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetRho-associated protein kinase 1(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
Affinity DataIC50: 260nMAssay Description:Inhibition of ROCK1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetRho-associated protein kinase 2(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
Affinity DataIC50: 320nMAssay Description:Inhibition of ROCK2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetRho-associated protein kinase 1(Rat)
Bioaxone Biosciences

US Patent
LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
Affinity DataIC50: 2.10E+3nMT: 2°CAssay Description:The inhibitor potency of BA-1049 (racemic mixture) and Fasudil (Calbiochem) were compared by fluorescent polarization assays performed using a Biomek...More data for this Ligand-Target Pair
In DepthDetails
US Patent
PDB3D3D Structure (crystal)
TargetRho-associated protein kinase 2(Rat)
Bioaxone Biosciences

US Patent
LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
Affinity DataIC50: 820nMT: 2°CAssay Description:The inhibitor potency of BA-1049 (racemic mixture) and Fasudil (Calbiochem) were compared by fluorescent polarization assays performed using a Biomek...More data for this Ligand-Target Pair
In DepthDetails
US Patent
PDB3D3D Structure (crystal)
TargetRho-associated protein kinase 2(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
Affinity DataIC50: 1.17E+4nMAssay Description:Displacement of fluorescent-ARC-1063 from His6-tagged recombinant human ROCK2 by luminescence intensity assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetSerine/threonine-protein kinase N2(Human)
University of Dundee

Curated by ChEMBL
LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
Affinity DataIC50: 780nMAssay Description:Inhibition of PKN2More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetcAMP-dependent protein kinase catalytic subunit alpha [E127D](Bovine)
German Cancer Research Center

LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
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
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetRho-associated protein kinase 1(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
Affinity DataIC50: 367nMAssay Description:Compounds as a powder were dissolved in dimethyl sulfoxide to make a 10 mM stock. Compounds were tested in 10-dose IC50 triplicate mode with a 3-fold...More data for this Ligand-Target Pair
In DepthDetails
US Patent
PDB3D3D Structure (crystal)
TargetRho-associated protein kinase 2(Bovine)
German Cancer Research Center

LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
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
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
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
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
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
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
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
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
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
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
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
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
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
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetRho-associated protein kinase 2(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
Affinity DataIC50: 164nMAssay Description:Compounds as a powder were dissolved in dimethyl sulfoxide to make a 10 mM stock. Compounds were tested in 10-dose IC50 triplicate mode with a 3-fold...More data for this Ligand-Target Pair
In DepthDetails
US Patent
PDB3D3D Structure (crystal)
TargetcAMP-dependent protein kinase catalytic subunit alpha [T183A](Bovine)
German Cancer Research Center

LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
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
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetcAMP-dependent protein kinase catalytic subunit alpha [V123M](Bovine)
German Cancer Research Center

LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
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
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetcAMP-dependent protein kinase catalytic subunit alpha [L49I](Bovine)
German Cancer Research Center

LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
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
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetcAMP-dependent protein kinase catalytic subunit alpha(Bovine)
German Cancer Research Center

LigandPNGBDBM14027(AT877 | CHEMBL38380 | 5-(1,4-diazepan-1-ylsulfonyl...)
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
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
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