Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50026454'   

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))	BDBM50026454 (CHEMBL2381733) Show SMILES ONC(=O)CCCCc1cn(Cc2cccc(c2)-c2ccccc2)nn1 Show InChI InChI=1S/C20H22N4O2/c25-20(22-26)12-5-4-11-19-15-24(23-21-19)14-16-7-6-10-18(13-16)17-8-2-1-3-9-17/h1-3,6-10,13,15,26H,4-5,11-12,14H2,(H,22,25)	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	58	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 incubated for 10 mins prior to substrate addition measured after 60 mins by spectrophotometric analysis				Bioorg Med Chem Lett 23: 3295-9 (2013) Article DOI: 10.1016/j.bmcl.2013.03.102 BindingDB Entry DOI: 10.7270/Q2Z322J3
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50026454 (CHEMBL2381733) Show SMILES ONC(=O)CCCCc1cn(Cc2cccc(c2)-c2ccccc2)nn1 Show InChI InChI=1S/C20H22N4O2/c25-20(22-26)12-5-4-11-19-15-24(23-21-19)14-16-7-6-10-18(13-16)17-8-2-1-3-9-17/h1-3,6-10,13,15,26H,4-5,11-12,14H2,(H,22,25)	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	112	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 after 60 mins by fluorimetric assay				Eur J Med Chem 86: 639-52 (2014) Article DOI: 10.1016/j.ejmech.2014.09.024 BindingDB Entry DOI: 10.7270/Q2NV9KTB
					More data for this Ligand-Target Pair