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BDBM50123974 CHEMBL149534::N-Hydroxy-3-(4-p-tolylsulfamoyl-phenyl)-acrylamide::US8796330, 161

SMILES: Cc1ccc(NS(=O)(=O)c2ccc(\C=C\C(=O)NO)cc2)cc1

InChI Key: InChIKey=DQBCBVSLJCVWJK-IZZDOVSWSA-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 = 50123974   
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))
BDBM50123974
PNG
(CHEMBL149534 | N-Hydroxy-3-(4-p-tolylsulfamoyl-phe...)
Show SMILES Cc1ccc(NS(=O)(=O)c2ccc(\C=C\C(=O)NO)cc2)cc1
Show InChI InChI=1S/C16H16N2O4S/c1-12-2-7-14(8-3-12)18-23(21,22)15-9-4-13(5-10-15)6-11-16(19)17-20/h2-11,18,20H,1H3,(H,17,19)/b11-6+
PDB
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Similars

US Patent
n/an/a 50n/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 1


(Homo sapiens (Human))
BDBM50123974
PNG
(CHEMBL149534 | N-Hydroxy-3-(4-p-tolylsulfamoyl-phe...)
Show SMILES Cc1ccc(NS(=O)(=O)c2ccc(\C=C\C(=O)NO)cc2)cc1
Show InChI InChI=1S/C16H16N2O4S/c1-12-2-7-14(8-3-12)18-23(21,22)15-9-4-13(5-10-15)6-11-16(19)17-20/h2-11,18,20H,1H3,(H,17,19)/b11-6+
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Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Aton Pharma, Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Histone deacetylase 1


J Med Chem 46: 5097-116 (2003)


Article DOI: 10.1021/jm0303094
BindingDB Entry DOI: 10.7270/Q2MP5413
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50123974
PNG
(CHEMBL149534 | N-Hydroxy-3-(4-p-tolylsulfamoyl-phe...)
Show SMILES Cc1ccc(NS(=O)(=O)c2ccc(\C=C\C(=O)NO)cc2)cc1
Show InChI InChI=1S/C16H16N2O4S/c1-12-2-7-14(8-3-12)18-23(21,22)15-9-4-13(5-10-15)6-11-16(19)17-20/h2-11,18,20H,1H3,(H,17,19)/b11-6+
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KEGG

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Article
PubMed
n/an/an/an/a 1.00E+3n/an/an/an/a



Aton Pharma, Inc

Curated by ChEMBL


Assay Description
Inhibition of acetylation of histone-4 in human T-24 cancer cells


J Med Chem 46: 5097-116 (2003)


Article DOI: 10.1021/jm0303094
BindingDB Entry DOI: 10.7270/Q2MP5413
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50123974
PNG
(CHEMBL149534 | N-Hydroxy-3-(4-p-tolylsulfamoyl-phe...)
Show SMILES Cc1ccc(NS(=O)(=O)c2ccc(\C=C\C(=O)NO)cc2)cc1
Show InChI InChI=1S/C16H16N2O4S/c1-12-2-7-14(8-3-12)18-23(21,22)15-9-4-13(5-10-15)6-11-16(19)17-20/h2-11,18,20H,1H3,(H,17,19)/b11-6+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity on partially purified recombinant human Histone deacetylase 1 (HDAC-1)


J Med Chem 46: 820-30 (2003)


Article DOI: 10.1021/jm020377a
BindingDB Entry DOI: 10.7270/Q22V2FG8
More data for this
Ligand-Target Pair