Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50123963'   

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))	BDBM50123963 (3-[4-(Biphenyl-4-sulfonylamino)-phenyl]-propynoic ...) Show SMILES Nc1ccccc1NC(=O)C#Cc1ccc(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C27H21N3O3S/c28-25-8-4-5-9-26(25)29-27(31)19-12-20-10-15-23(16-11-20)30-34(32,33)24-17-13-22(14-18-24)21-6-2-1-3-7-21/h1-11,13-18,30H,28H2,(H,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.00E+3	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))	BDBM50123963 (3-[4-(Biphenyl-4-sulfonylamino)-phenyl]-propynoic ...) Show SMILES Nc1ccccc1NC(=O)C#Cc1ccc(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C27H21N3O3S/c28-25-8-4-5-9-26(25)29-27(31)19-12-20-10-15-23(16-11-20)30-34(32,33)24-17-13-22(14-18-24)21-6-2-1-3-7-21/h1-11,13-18,30H,28H2,(H,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	US Patent	n/a	n/a	3.00E+3	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