Found 77 hits for monomerid = 14027 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
MO15-related protein kinase Pfmrk
(Plasmodium falciparum) | BDBM14027
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2 | UniProtKB/TrEMBL
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| Article PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Research
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum Pfmrk |
Bioorg Med Chem Lett 17: 4961-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.032 BindingDB Entry DOI: 10.7270/Q2GX4CC8 |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM14027
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2 | PDB MMDB
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| n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-Sen University
Curated by ChEMBL
| Assay Description Inhibition of ROCK2 (unknown origin) |
Eur J Med Chem 70: 613-22 (2013)
Article DOI: 10.1016/j.ejmech.2013.10.048 BindingDB Entry DOI: 10.7270/Q2MG7QZX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Myosin light chain kinase, smooth muscle
(Homo sapiens (Human)) | BDBM14027
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2 | PDB MMDB
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| Article PubMed
| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description Inhibition of myosin light chain kinase |
Proc Natl Acad Sci USA 104: 20523-8 (2007)
Checked by Author Article DOI: 10.1073/pnas.0708800104 BindingDB Entry DOI: 10.7270/Q2DB82RH |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM14027
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2 | PDB MMDB
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| PDB Article PubMed
| n/a | n/a | 660 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ROCK2 by IMAP assay |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM14027
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2 | PDB MMDB
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| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ROCK1 by homogenous luciferase assay |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cell division control protein 42 homolog
(Homo sapiens (Human)) | BDBM14027
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2 | PDB MMDB
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| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Cdc42 |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | |
Protein kinase C epsilon type
(Homo sapiens (Human)) | BDBM14027
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2 | PDB MMDB
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| Article PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of PKCepsilon |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase N2
(Homo sapiens (Human)) | BDBM14027
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2 | PDB
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| Article PubMed
| n/a | n/a | 780 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of PKN2 |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM14027
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2 | PDB MMDB
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| n/a | n/a | 1.17E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tartu
Curated by ChEMBL
| Assay Description Displacement of fluorescent-ARC-1063 from His6-tagged recombinant human ROCK2 by luminescence intensity assay |
Bioorg Med Chem Lett 22: 3425-30 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.101 BindingDB Entry DOI: 10.7270/Q2GT5P5N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Rho-associated protein kinase 2
(Rattus norvegicus (Rat)) | BDBM14027
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2 | PDB
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| PDB US Patent
| n/a | n/a | 820 | n/a | n/a | n/a | n/a | n/a | 23 |
BIOAXONE BIOSCIENCES, INC.
US Patent
| Assay Description The inhibitor potency of BA-1049 (racemic mixture) and Fasudil (Calbiochem) were compared by fluorescent polarization assays performed using a Biomek... |
US Patent US9687483 (2017)
BindingDB Entry DOI: 10.7270/Q2H993CZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Rho-associated protein kinase 1
(Rattus norvegicus (Rat)) | BDBM14027
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2 | PDB
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| PDB US Patent
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | 23 |
BIOAXONE BIOSCIENCES, INC.
US Patent
| Assay Description The inhibitor potency of BA-1049 (racemic mixture) and Fasudil (Calbiochem) were compared by fluorescent polarization assays performed using a Biomek... |
US Patent US9687483 (2017)
BindingDB Entry DOI: 10.7270/Q2H993CZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM14027
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2 | PDB MMDB
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| PDB Article PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Moffitt Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of ROCK2 (unknown origin) |
Medchemcomm 3: 699-709 (2012)
Article DOI: 10.1039/c2md00320a BindingDB Entry DOI: 10.7270/Q2571G0R |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM14027
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2 | PDB MMDB
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| DrugBank PDB Article PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Moffitt Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of ROCK1 (unknown origin) |
Medchemcomm 3: 699-709 (2012)
Article DOI: 10.1039/c2md00320a BindingDB Entry DOI: 10.7270/Q2571G0R |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM14027
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2 | PDB MMDB
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| n/a | n/a | 659 | n/a | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Nanjing Medical University
Curated by ChEMBL
| Assay Description Inhibition of ROCK2 (unknown origin) using 2-biotin as substrate measured after 15 to 60 mins by HTRF assay |
Bioorg Med Chem Lett 29: 1812-1818 (2019)
Article DOI: 10.1016/j.bmcl.2019.05.006 BindingDB Entry DOI: 10.7270/Q2TX3JNN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM14027
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2 | PDB MMDB
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| n/a | n/a | 509 | n/a | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Nanjing Medical University
Curated by ChEMBL
| Assay Description Inhibition of ROCK2 (unknown origin) using 2-biotin as substrate measured after 15 to 60 mins by HTRF assay |
Bioorg Med Chem Lett 29: 1812-1818 (2019)
Article DOI: 10.1016/j.bmcl.2019.05.006 BindingDB Entry DOI: 10.7270/Q2TX3JNN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM14027
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2 | PDB MMDB
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| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of ROCK2 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.9b01033 BindingDB Entry DOI: 10.7270/Q2ZK5M83 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM14027
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank PDB Article PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of ROCK1 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.9b01033 BindingDB Entry DOI: 10.7270/Q2ZK5M83 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM14027
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2 | PDB MMDB
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| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of ROCK2 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127474 BindingDB Entry DOI: 10.7270/Q25142V2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM14027
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2 | PDB MMDB
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| DrugBank PDB Article PubMed
| n/a | n/a | 940 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of ROCK1 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127474 BindingDB Entry DOI: 10.7270/Q25142V2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM14027
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2 | PDB MMDB
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| DrugBank PDB US Patent
| n/a | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay 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... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DV1P2H |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM14027
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2 | PDB MMDB
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| n/a | n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay 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... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DV1P2H |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cAMP-dependent protein kinase catalytic subunit gamma
(Homo sapiens (Human)) | BDBM14027
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2 | KEGG
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| Article PubMed
| n/a | n/a | 4.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113318 BindingDB Entry DOI: 10.7270/Q25Q5115 |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM14027
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2 | PDB MMDB
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| n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113318 BindingDB Entry DOI: 10.7270/Q25Q5115 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM14027
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2 | PDB MMDB
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Similars
| PDB Article PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01255 BindingDB Entry DOI: 10.7270/Q2M90DR4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM14027
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2 | PDB MMDB
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B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
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| PDB Article
| n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description In vitro inhibition of angiotensin I converting enzyme in rabbit lung with hippuryl-histidyl-leucine as substrate |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02221 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cAMP-dependent protein kinase catalytic subunit gamma
(Homo sapiens (Human)) | BDBM14027
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2 | KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
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| Article
| n/a | n/a | 4.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description In vitro inhibition of angiotensin I converting enzyme in rabbit lung with hippuryl-histidyl-leucine as substrate |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02221 |
More data for this Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM14027
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2 | MMDB
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DrugBank GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article
| n/a | n/a | 1.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description In vitro inhibition of angiotensin I converting enzyme in rabbit lung with hippuryl-histidyl-leucine as substrate |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02221 |
More data for this Ligand-Target Pair | |