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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50123975'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50123975
PNG
(3-[4-(biphenyl-4-sulfonylamino)-phenyl]-N-hydroxy-...)
Show SMILES ONC(=O)\C=C\c1ccc(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C21H18N2O4S/c24-21(22-25)15-8-16-6-11-19(12-7-16)23-28(26,27)20-13-9-18(10-14-20)17-4-2-1-3-5-17/h1-15,23,25H,(H,22,24)/b15-8+
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US Patent
n/an/a 10n/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))
BDBM50123975
PNG
(3-[4-(biphenyl-4-sulfonylamino)-phenyl]-N-hydroxy-...)
Show SMILES ONC(=O)\C=C\c1ccc(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C21H18N2O4S/c24-21(22-25)15-8-16-6-11-19(12-7-16)23-28(26,27)20-13-9-18(10-14-20)17-4-2-1-3-5-17/h1-15,23,25H,(H,22,24)/b15-8+
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Article
PubMed
n/an/a 10n/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 1


(Homo sapiens (Human))
BDBM50123975
PNG
(3-[4-(biphenyl-4-sulfonylamino)-phenyl]-N-hydroxy-...)
Show SMILES ONC(=O)\C=C\c1ccc(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C21H18N2O4S/c24-21(22-25)15-8-16-6-11-19(12-7-16)23-28(26,27)20-13-9-18(10-14-20)17-4-2-1-3-5-17/h1-15,23,25H,(H,22,24)/b15-8+
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 10n/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