Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 6' and Ligand = 'BDBM50382634'   

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))	BDBM50382634 (CHEMBL2023526) Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](NCc6ccc(NC(=O)CCCCCCC(=O)NO)cc6)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O |r| Show InChI InChI=1S/C42H49N3O13/c1-21-37(49)27(43-20-23-13-15-24(16-14-23)44-30(47)11-6-4-5-7-12-31(48)45-55)17-32(57-21)58-29-19-42(54,22(2)46)18-26-34(29)41(53)36-35(39(26)51)38(50)25-9-8-10-28(56-3)33(25)40(36)52/h8-10,13-16,21,27,29,32,37,43,49,51,53-55H,4-7,11-12,17-20H2,1-3H3,(H,44,47)(H,45,48)/t21-,27-,29-,32-,37+,42-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC6 in human HeLa cell nuclear extract using Fluor de Lys as substrate after 15 mins by fluorometric analysis				J Med Chem 55: 1465-77 (2012) Article DOI: 10.1021/jm200799p BindingDB Entry DOI: 10.7270/Q24F1RRP
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