Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50105677'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50105677 ((E)-N-Hydroxy-3-[4-(toluene-4-sulfonylamino)-pheny...) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C16H16N2O4S/c1-12-2-9-15(10-3-12)23(21,22)18-14-7-4-13(5-8-14)6-11-16(19)17-20/h2-11,18,20H,1H3,(H,17,19)/b11-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	37
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))	BDBM50105677 ((E)-N-Hydroxy-3-[4-(toluene-4-sulfonylamino)-pheny...) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C16H16N2O4S/c1-12-2-9-15(10-3-12)23(21,22)18-14-7-4-13(5-8-14)6-11-16(19)17-20/h2-11,18,20H,1H3,(H,17,19)/b11-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50105677 ((E)-N-Hydroxy-3-[4-(toluene-4-sulfonylamino)-pheny...) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C16H16N2O4S/c1-12-2-9-15(10-3-12)23(21,22)18-14-7-4-13(5-8-14)6-11-16(19)17-20/h2-11,18,20H,1H3,(H,17,19)/b11-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50105677 ((E)-N-Hydroxy-3-[4-(toluene-4-sulfonylamino)-pheny...) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C16H16N2O4S/c1-12-2-9-15(10-3-12)23(21,22)18-14-7-4-13(5-8-14)6-11-16(19)17-20/h2-11,18,20H,1H3,(H,17,19)/b11-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50105677 ((E)-N-Hydroxy-3-[4-(toluene-4-sulfonylamino)-pheny...) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C16H16N2O4S/c1-12-2-9-15(10-3-12)23(21,22)18-14-7-4-13(5-8-14)6-11-16(19)17-20/h2-11,18,20H,1H3,(H,17,19)/b11-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/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