Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50114811'   

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))	BDBM50114811 (8-Oxo-8-[4-(4-phenyl-piperazin-1-yl)-phenyl]-octan...) Show SMILES ONC(=O)CCCCCCC(=O)c1ccc(cc1)N1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C24H31N3O3/c28-23(10-6-1-2-7-11-24(29)25-30)20-12-14-22(15-13-20)27-18-16-26(17-19-27)21-8-4-3-5-9-21/h3-5,8-9,12-15,30H,1-2,6-7,10-11,16-19H2,(H,25,29)	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	4.5	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human HDAC1				Eur J Med Chem 44: 2868-76 (2009) Article DOI: 10.1016/j.ejmech.2008.12.008 BindingDB Entry DOI: 10.7270/Q2HM58HD
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50114811 (8-Oxo-8-[4-(4-phenyl-piperazin-1-yl)-phenyl]-octan...) Show SMILES ONC(=O)CCCCCCC(=O)c1ccc(cc1)N1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C24H31N3O3/c28-23(10-6-1-2-7-11-24(29)25-30)20-12-14-22(15-13-20)27-18-16-26(17-19-27)21-8-4-3-5-9-21/h3-5,8-9,12-15,30H,1-2,6-7,10-11,16-19H2,(H,25,29)	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	4.5	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition against partially purified human histone deacetylase 1 (HDAC-1)				J Med Chem 45: 2877-85 (2002) BindingDB Entry DOI: 10.7270/Q29W0DT3
					More data for this Ligand-Target Pair