Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50522145'   

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))	BDBM50522145 (CHEMBL4463774) Show SMILES COc1ccc(OC)c(CNCc2ccc(\C=C\C(=O)NO)cc2)c1 Show InChI InChI=1S/C19H22N2O4/c1-24-17-8-9-18(25-2)16(11-17)13-20-12-15-5-3-14(4-6-15)7-10-19(22)21-23/h3-11,20,23H,12-13H2,1-2H3,(H,21,22)/b10-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before substrate addition and measured after 30 mins by fluorescence based assay				Bioorg Med Chem Lett 29: 2581-2586 (2019) Article DOI: 10.1016/j.bmcl.2019.08.002 BindingDB Entry DOI: 10.7270/Q2T43XG1
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