Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50123977'   

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))	BDBM50123977 (3-[4-(5-Dimethylamino-naphthalene-1-sulfonylamino)...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H21N3O4S/c1-24(2)19-7-3-6-18-17(19)5-4-8-20(18)29(27,28)23-16-12-9-15(10-13-16)11-14-21(25)22-26/h3-14,23,26H,1-2H3,(H,22,25)/b14-11+	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	200	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))	BDBM50123977 (3-[4-(5-Dimethylamino-naphthalene-1-sulfonylamino)...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H21N3O4S/c1-24(2)19-7-3-6-18-17(19)5-4-8-20(18)29(27,28)23-16-12-9-15(10-13-16)11-14-21(25)22-26/h3-14,23,26H,1-2H3,(H,22,25)/b14-11+	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	280	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