Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 6' and Ligand = 'BDBM50514469'   

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 6 (Homo sapiens (Human))	BDBM50514469 (CHEMBL4435503) Show SMILES C[C@H](NC(=O)c1nc(sc1C1CC1)-c1ncc(C)s1)c1ccc(cc1)C(=O)NO |r| Show InChI InChI=1S/C20H20N4O3S2/c1-10-9-21-19(28-10)20-23-15(16(29-20)13-5-6-13)18(26)22-11(2)12-3-7-14(8-4-12)17(25)24-27/h3-4,7-9,11,13,27H,5-6H2,1-2H3,(H,22,26)(H,24,25)/t11-/m0/s1	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	19	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant His6/GST-tagged human HDAC6 expressed in baculovirus infected High5 insect cells using Boc-Lys(epsion-acetyl)-AMC as substr...				J Med Chem 63: 804-815 (2020) Article DOI: 10.1021/acs.jmedchem.9b01792 BindingDB Entry DOI: 10.7270/Q21839VR
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