Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 3' and Ligand = 'BDBM50102494'   

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 3 (Homo sapiens (Human))	BDBM50102494 (CHEMBL3339015) Show SMILES ONC(=O)CCCCCCC(=O)Nc1cc2c(Nc3ccc(F)cc3F)ncnc2s1 Show InChI InChI=1S/C20H21F2N5O3S/c21-12-7-8-15(14(22)9-12)25-19-13-10-18(31-20(13)24-11-23-19)26-16(28)5-3-1-2-4-6-17(29)27-30/h7-11,30H,1-6H2,(H,26,28)(H,27,29)(H,23,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
The Walter and Eliza Hall Institute of Medical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant full length HDAC3 using (Ac)-Lys-Tyr-Lys(-acetyl)-AMC substrate after 30 mins				Bioorg Med Chem 22: 6146-55 (2014) Article DOI: 10.1016/j.bmc.2014.08.030 BindingDB Entry DOI: 10.7270/Q2VQ34F7
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