Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase' and Ligand = 'BDBM50517567'   

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 (Homo sapiens (Human))	BDBM50517567 (CHEMBL4545246) Show SMILES COc1ccc2Sc3ccccc3N(Cc3ccc(cc3)C(=O)NO)c2c1 Show InChI InChI=1S/C21H18N2O3S/c1-26-16-10-11-20-18(12-16)23(17-4-2-3-5-19(17)27-20)13-14-6-8-15(9-7-14)21(24)22-25/h2-12,25H,13H2,1H3,(H,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HDAC in human HeLa nuclear extracts using Boc-Lys (acetyl)-AMC as substrate preincubated for 5 mins followed by substrate addition and ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113419 BindingDB Entry DOI: 10.7270/Q2ST7TN4
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