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BDBM50105686 (E)-N-Hydroxy-3-[4-(toluene-3-sulfonylamino)-phenyl]-acrylamide::CHEMBL96966::N-hydroxy-3-(4-(3-methylphenylsulfonamido)phenyl)acrylamide::US8796330, 115

SMILES: Cc1cccc(c1)S(=O)(=O)Nc1ccc(\C=C\C(=O)NO)cc1

InChI Key: InChIKey=ULRPDWFEDWSIRY-JXMROGBWSA-N

Data: 3 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50105686   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50105686
PNG
((E)-N-Hydroxy-3-[4-(toluene-3-sulfonylamino)-pheny...)
Show SMILES Cc1cccc(c1)S(=O)(=O)Nc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C16H16N2O4S/c1-12-3-2-4-15(11-12)23(21,22)18-14-8-5-13(6-9-14)7-10-16(19)17-20/h2-11,18,20H,1H3,(H,17,19)/b10-7+
PDB
MMDB

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US Patent
n/an/a 100n/an/an/an/an/a37



Methylgene Inc.

US Patent


Assay Description
For deacetylase assays, 20,000 cpm of the [3H]-metabolically labeled acetylated histone substrate (M. Yoshida et al., J. Biol. Chem. 265(28): 17174-1...


US Patent US8796330 (2014)


BindingDB Entry DOI: 10.7270/Q22B8WQW
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50105686
PNG
((E)-N-Hydroxy-3-[4-(toluene-3-sulfonylamino)-pheny...)
Show SMILES Cc1cccc(c1)S(=O)(=O)Nc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C16H16N2O4S/c1-12-3-2-4-15(11-12)23(21,22)18-14-8-5-13(6-9-14)7-10-16(19)17-20/h2-11,18,20H,1H3,(H,17,19)/b10-7+
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Article
n/an/a 100n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50105686
PNG
((E)-N-Hydroxy-3-[4-(toluene-3-sulfonylamino)-pheny...)
Show SMILES Cc1cccc(c1)S(=O)(=O)Nc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C16H16N2O4S/c1-12-3-2-4-15(11-12)23(21,22)18-14-8-5-13(6-9-14)7-10-16(19)17-20/h2-11,18,20H,1H3,(H,17,19)/b10-7+
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PubMed
n/an/a 100n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of partially purified recombinant human Histone deacetylase 1


Bioorg Med Chem Lett 11: 2847-50 (2001)


BindingDB Entry DOI: 10.7270/Q2SF2VF5
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50105686
PNG
((E)-N-Hydroxy-3-[4-(toluene-3-sulfonylamino)-pheny...)
Show SMILES Cc1cccc(c1)S(=O)(=O)Nc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C16H16N2O4S/c1-12-3-2-4-15(11-12)23(21,22)18-14-8-5-13(6-9-14)7-10-16(19)17-20/h2-11,18,20H,1H3,(H,17,19)/b10-7+
PDB
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PubMed
n/an/an/an/a 1.20E+4n/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Concentration of compound required for acetylation of histone-4 in human T24 cancer cells


Bioorg Med Chem Lett 11: 2847-50 (2001)


BindingDB Entry DOI: 10.7270/Q2SF2VF5
More data for this
Ligand-Target Pair