Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 6' and Ligand = 'BDBM50468978'   

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))	BDBM50468978 (CHEMBL4291778) Show SMILES CC(C)(C)OC(=O)N1CCC2(CN(Cc3ccc(cc3)C(=O)NO)c3ccccc23)CC1 Show InChI InChI=1S/C25H31N3O4/c1-24(2,3)32-23(30)27-14-12-25(13-15-27)17-28(21-7-5-4-6-20(21)25)16-18-8-10-19(11-9-18)22(29)26-31/h4-11,31H,12-17H2,1-3H3,(H,26,29)	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	42	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full length N-terminal GST-tagged human HDAC6 expressed in baculovirus expression system using ZMAL as substrate incubated for 90 mins ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00395 BindingDB Entry DOI: 10.7270/Q27S7SG5
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Histone deacetylase 6 (Homo sapiens (Human))	BDBM50468978 (CHEMBL4291778) Show SMILES CC(C)(C)OC(=O)N1CCC2(CN(Cc3ccc(cc3)C(=O)NO)c3ccccc23)CC1 Show InChI InChI=1S/C25H31N3O4/c1-24(2,3)32-23(30)27-14-12-25(13-15-27)17-28(21-7-5-4-6-20(21)25)16-18-8-10-19(11-9-18)22(29)26-31/h4-11,31H,12-17H2,1-3H3,(H,26,29)	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	42	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal GST-tagged full length HDAC6 expressed in insect SF9 cells using fluorogenic ZMAL as substrate after 90 mi...				Eur J Med Chem 157: 127-138 (2018) Article DOI: 10.1016/j.ejmech.2018.07.069 BindingDB Entry DOI: 10.7270/Q2PZ5CJ3
					More data for this Ligand-Target Pair