Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50463764'   

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))	BDBM50463764 (CHEMBL4245007) Show SMILES ONC(=O)CCCCCCNc1c(Nc2ccccc2)c(=O)c1=O Show InChI InChI=1S/C17H21N3O4/c21-13(20-24)10-6-1-2-7-11-18-14-15(17(23)16(14)22)19-12-8-4-3-5-9-12/h3-5,8-9,18-19,24H,1-2,6-7,10-11H2,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nestle Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Fluor de Lys as substrate after 2 hrs by fluorescence method				Bioorg Med Chem Lett 28: 2985-2992 (2018) Article DOI: 10.1016/j.bmcl.2018.06.029 BindingDB Entry DOI: 10.7270/Q2M0484T
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