BindingDB

null

SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc1ccccc1

InChI Key InChIKey=NCNRHFGMJRPRSK-MDZDMXLPSA-N

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 25150

Histone deacetylase 1(Homo sapiens (Human))
Shandong University

BDBM25150((2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2...)copy SMILEScopy InChI

IC50: 34nMAssay Description:To further ascertain HDAC isoform selectivity of 12m, we conducted enzymatic inhibitory assays against HDAC1 (class I), HDAC8 (class I), HDAC6 (class...More data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

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BindingDB Entry DOI: 10.7270/Q2SQ8Z69PubMed

Histone deacetylase 8(Homo sapiens (Human))
Shandong University

BDBM25150((2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2...)copy SMILEScopy InChI

IC50: 353nMAssay Description:To further ascertain HDAC isoform selectivity of 12m, we conducted enzymatic inhibitory assays against HDAC1 (class I), HDAC8 (class I), HDAC6 (class...More data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

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BindingDB Entry DOI: 10.7270/Q2SQ8Z69PubMed

Histone deacetylase 4(Homo sapiens (Human))
Shandong University

BDBM25150((2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2...)copy SMILEScopy InChI

IC50: 9.90E+3nMAssay Description:To further ascertain HDAC isoform selectivity of 12m, we conducted enzymatic inhibitory assays against HDAC1 (class I), HDAC8 (class I), HDAC6 (class...More data for this Ligand-Target Pair

PDB MMDB KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

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BindingDB Entry DOI: 10.7270/Q2SQ8Z69PubMed

Histone deacetylase 6(Homo sapiens (Human))
Shandong University

BDBM25150((2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2...)copy SMILEScopy InChI

IC50: 27nMAssay Description:To further ascertain HDAC isoform selectivity of 12m, we conducted enzymatic inhibitory assays against HDAC1 (class I), HDAC8 (class I), HDAC6 (class...More data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

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BindingDB Entry DOI: 10.7270/Q2SQ8Z69PubMed

Histone deacetylase 11(Homo sapiens (Human))
Shandong University

BDBM25150((2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2...)copy SMILEScopy InChI

IC50: 2.50E+4nMAssay Description:To further ascertain HDAC isoform selectivity of 12m, we conducted enzymatic inhibitory assays against HDAC1 (class I), HDAC8 (class I), HDAC6 (class...More data for this Ligand-Target Pair

NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar

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BindingDB Entry DOI: 10.7270/Q2SQ8Z69PubMed

Targets 22 ▿
- Histone deacetylase 1 13
- Histone deacetylase 6 12
- Histone deacetylase 8 11
- Histone deacetylase 4 8
- Histone deacetylase 6
- Histone deacetylase 2 6
- Histone deacetylase 3 6
- Aspartyl/asparaginyl beta-hydroxylase 4
- Histone deacetylase 9 4
- Histone deacetylase 7 4
- Histone deacetylase 1/2/3/8 4
- Histone deacetylase 11 4
- Histone deacetylase 5 3
- Leukotriene A-4 hydrolase 2
- Polyamine deacetylase HDAC10 2
- Potassium voltage-gated channel subfamily H member 2 2
- Bromodomain-containing protein 4 1
- Platelet-derived growth factor receptor alpha/beta 1
- Histone deacetylase (HDAC1 and HDAC2) 1
- Histone deacetylase 4 [653-1084,H976Y] 1
- Histone deacetylase 6 [440-798] 1
- Cytochrome P450 3A4 1
- ...
Publications 22 ▿
- J Med Chem 54: 4694-720 (2011) 12
- Bioorg Med Chem 23: 5151-5 (2015) 9
- Eur J Med Chem 134: 13-23 (2017) 5
- Chem Biol Drug Des 88: 574-84 (2016) 5
- Bioorg Med Chem Lett 18: 1814-9 (2008) 5
- Chem Biol Drug Des 89: 38-46 (2017) 5
- Eur J Med Chem 122: 92-101 (2016) 4
- Eur J Med Chem 150: 282-291 (2018) 4
- Bioorg Med Chem 27: 1595-1604 (2019) 4
- Bioorg Med Chem Lett 21: 4909-12 (2011) 3
- J Med Chem 60: 1817-1828 (2017) 2
- Nat Chem Biol 12: 741-747 (2016) 1
- J Med Chem 60: 4780-4804 (2017) 1
- Bioorg Med Chem Lett 29: 2581-2586 (2019) 1
- Bioorg Med Chem Lett 23: 3200-3 (2013) 1
- Eur J Med Chem 85: 468-79 (2014) 1
- J Med Chem 63: 23-39 (2020) 1
- Bioorg Med Chem Lett 27: 4051-4055 (2017) 1
- J Med Chem 54: 4752-72 (2011) 1
- ACS Med Chem Lett 9: 149-154 (2018) 1
- Eur J Med Chem 183: (2019) 1
- Eur J Med Chem 164: 214-240 (2019) 1
Institutions 17 ▿
- [Shandong University] 18
- [S*BIO Pte Ltd.] 12
- [St Jude Children's Research Hospital] 9
- [Taipei Medical University (TMU), Taipei Medical University, IRBM/Merck] 5
- [Taipei Medical University (TMU), Taipei Medical University, IRBM/Merck] 5
- [Taipei Medical University (TMU), Taipei Medical University, IRBM/Merck] 5
- [Novartis Institutes for Biomedical Research] 4
- [East China University of Science and Technology] 2
- [The University of Sydney, Central South University, Jadavpur University, Dipartimento di Chimica e Tecnologie del Farmaco "Sapienza" Universit£ di Roma, University of Pennsylvania,, University of Naples Federico II, Xavier University of Louisiana, Hunan University of Science and Technology, Sichuan University and Collaborative Innovation Center] 1
- [The University of Sydney, Central South University, Jadavpur University, Dipartimento di Chimica e Tecnologie del Farmaco "Sapienza" Universit£ di Roma, University of Pennsylvania,, University of Naples Federico II, Xavier University of Louisiana, Hunan University of Science and Technology, Sichuan University and Collaborative Innovation Center] 1
- [The University of Sydney, Central South University, Jadavpur University, Dipartimento di Chimica e Tecnologie del Farmaco "Sapienza" Universit£ di Roma, University of Pennsylvania,, University of Naples Federico II, Xavier University of Louisiana, Hunan University of Science and Technology, Sichuan University and Collaborative Innovation Center] 1
- [The University of Sydney, Central South University, Jadavpur University, Dipartimento di Chimica e Tecnologie del Farmaco "Sapienza" Universit£ di Roma, University of Pennsylvania,, University of Naples Federico II, Xavier University of Louisiana, Hunan University of Science and Technology, Sichuan University and Collaborative Innovation Center] 1
- [The University of Sydney, Central South University, Jadavpur University, Dipartimento di Chimica e Tecnologie del Farmaco "Sapienza" Universit£ di Roma, University of Pennsylvania,, University of Naples Federico II, Xavier University of Louisiana, Hunan University of Science and Technology, Sichuan University and Collaborative Innovation Center] 1
- [The University of Sydney, Central South University, Jadavpur University, Dipartimento di Chimica e Tecnologie del Farmaco "Sapienza" Universit£ di Roma, University of Pennsylvania,, University of Naples Federico II, Xavier University of Louisiana, Hunan University of Science and Technology, Sichuan University and Collaborative Innovation Center] 1
- [The University of Sydney, Central South University, Jadavpur University, Dipartimento di Chimica e Tecnologie del Farmaco "Sapienza" Universit£ di Roma, University of Pennsylvania,, University of Naples Federico II, Xavier University of Louisiana, Hunan University of Science and Technology, Sichuan University and Collaborative Innovation Center] 1
- [The University of Sydney, Central South University, Jadavpur University, Dipartimento di Chimica e Tecnologie del Farmaco "Sapienza" Universit£ di Roma, University of Pennsylvania,, University of Naples Federico II, Xavier University of Louisiana, Hunan University of Science and Technology, Sichuan University and Collaborative Innovation Center] 1
- [The University of Sydney, Central South University, Jadavpur University, Dipartimento di Chimica e Tecnologie del Farmaco "Sapienza" Universit£ di Roma, University of Pennsylvania,, University of Naples Federico II, Xavier University of Louisiana, Hunan University of Science and Technology, Sichuan University and Collaborative Innovation Center] 1
Affinity: 0.90 to 3.0E+4 nM▿
- Ki 21
- IC50 67
- EC50 9
- Affinity ≤ nM
Xtal structures: 0
Docked structures: 0
Catalog Cmpds: 1