Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 6' and Ligand = 'BDBM50382631'   

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))	BDBM50382631 (CHEMBL2023530) Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](NCc6ccc(cc6)-c6cn(CCCCCCCC(=O)NO)nn6)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O |r| Show InChI InChI=1S/C44H51N5O12/c1-23-39(52)29(45-21-25-13-15-26(16-14-25)30-22-49(48-46-30)17-8-6-4-5-7-12-33(51)47-58)18-34(60-23)61-32-20-44(57,24(2)50)19-28-36(32)43(56)38-37(41(28)54)40(53)27-10-9-11-31(59-3)35(27)42(38)55/h9-11,13-16,22-23,29,32,34,39,45,52,54,56-58H,4-8,12,17-21H2,1-3H3,(H,47,51)/t23-,29-,32-,34-,39+,44-/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	19	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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