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

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

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

InChI Key InChIKey=NGOGFTYYXHNFQH-UHFFFAOYSA-N

Data 11 KI 62 IC50 3 Kd 1 EC50

PDB links: 15 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 14027

cAMP-dependent protein kinase catalytic subunit alpha [V123M,T183A](Bos taurus (bovine))
German Cancer Research Center

BDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)

IC50: 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

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3D Structure (crystal)

Filter my 77 hits

Targets 30▿
- Rho-associated protein kinase 2 23
- Rho-associated protein kinase 1 15
- Rho-associated protein kinase 1/2 3
- cAMP-dependent protein kinase catalytic subunit alpha 3
- Serine/threonine-protein kinase N2 3
- Protein kinase C epsilon type 2
- cAMP-dependent protein kinase catalytic subunit gamma 2
- C-C chemokine receptor type 2 2
- Myosin light chain kinase, smooth muscle 2
- Cell division control protein 42 homolog 2
- Platelet-derived growth factor receptor alpha/beta 1
- cAMP-dependent protein kinase catalytic subunit alpha [L49I,V123M,E127D,Q181K,T183A] 1
- Myotonin-protein kinase 1
- MO15-related protein kinase Pfmrk 1
- C-C motif chemokine 2 1
- cAMP-dependent protein kinase catalytic subunit beta 1
- Potassium voltage-gated channel subfamily H member 2 1
- cAMP-dependent protein kinase catalytic subunit alpha [V123M] 1
- Serine/threonine-protein kinase N1 1
- Ribosomal protein S6 kinase alpha-5 1
- cAMP-dependent protein kinase catalytic subunit alpha [T183A] 1
- Serine/threonine-protein kinase 33 1
- cAMP-dependent protein kinase catalytic subunit alpha [V123M,T183A] 1
- cAMP-dependent protein kinase catalytic subunit alpha [L49I] 1
- cAMP-dependent protein kinase catalytic subunit alpha [L49I,Q181K,T183A] 1
- cAMP-dependent protein kinase catalytic subunit alpha [V123M,Q181K,T183A] 1
- cAMP-dependent protein kinase catalytic subunit alpha [E127D] 1
- cAMP-dependent protein kinase catalytic subunit alpha [L49I,V123M,Q181K,T183A] 1
- cGMP-dependent protein kinase 1 1
- cAMP-dependent protein kinase catalytic subunit alpha [Q181K,T183A] 1
Publications 30▿
- J Biol Chem 281: 24818-30 (2006) 12
- J Med Chem 53: 759-77 (2010) 6
- Bioorg Med Chem Lett 20: 3235-9 (2010) 6
- Bioorg Med Chem Lett 21: 97-101 (2010) 5
- J Pharmacol Exp Ther 316: 869-74 (2006) 3
- Biochem J 351: 95-105 (2001) 3
- J Med Chem 46: 1478-83 (2003) 2
- Bioorg Med Chem Lett 30: 127474 (2020) 2
- Bioorg Med Chem 15: 350-64 (2006) 2
- Bioorg Med Chem Lett 22: 3425-30 (2012) 2
- J Med Chem 63: 10533-10593 (2020) 2
- Bioorg Med Chem 15: 1022-33 (2006) 2
- Bioorg Med Chem Lett 29: 1812-1818 (2019) 2
- J Med Chem 59: 788-809 (2016) 2
- J Biol Chem 281: 260-8 (2006) 2
- Medchemcomm 3: 699-709 (2012) 2
- Eur J Med Chem 216: (2021) 2
- US Patent US11198680 (2021) 2
- US Patent US9687483 (2017) 2
- PubChem Bioassay (2007) 1
- PubChem Bioassay (2007) 1
- Eur J Med Chem 70: 613-22 (2013) 1
- Eur J Med Chem 180: 449-456 (2019) 1
- J Med Chem 65: 1867-1882 (2022) 1
- Proc Natl Acad Sci U S A 104: 20523-8 (2007) 1
- PubChem Bioassay (2010) 1
- J Pharmacol Exp Ther 320: 89-98 (2006) 1
- Bioorg Med Chem Lett 17: 4961-6 (2007) 1
- J Med Chem 58: 5028-37 (2015) 1
- Bioorg Med Chem 19: 429-39 (2011) 1
Institutions 25▿
- German Cancer Research Center 12
- Boehringer Ingelheim Pharmaceuticals 12
- Msd 5
- Kirin Brewery 4
- Bioaxone Biosciences 4
- Vertex Pharmaceuticals 3
- University Of Dundee 3
- Temple University 3
- University Of Tartu 2
- Bristol Myers Squibb 2
- Cha University 2
- Northwestern University 2
- Taipei Medical University 2
- Moffitt Cancer Center 2
- The First Affiliated Hospital Of Nanjing Medical University 2
- The Scripps Research Institute Molecular Screening Center 2
- Georgia Institute Of Technology 2
- Glaxosmithkline 1
- Purdue University 1
- University Of Oxford 1
- Institute Of Research 1
- Broad Institute 1
- Chemical Genomics Centre Of The Max Planck Society 1
- Sun Yat-Sen University 1
- Universidad Complutense 1
Affinity: 45 to 5.0E+5 nM▿
- Ki 11
- IC50 62
- Kd 3
- EC50 1
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 3
Catalog Cmpds: 1