Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 6' and Ligand = 'BDBM50386461'   

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))	BDBM50386461 (CHEMBL2047668) Show SMILES CO\N=C(/Cc1ccc(OC)c(Br)c1)C(=O)NCCSSCCNC(=O)C(\Cc1ccc(OC)c(Br)c1)=N\OC Show InChI InChI=1S/C26H32Br2N4O6S2/c1-35-23-7-5-17(13-19(23)27)15-21(31-37-3)25(33)29-9-11-39-40-12-10-30-26(34)22(32-38-4)16-18-6-8-24(36-2)20(28)14-18/h5-8,13-14H,9-12,15-16H2,1-4H3,(H,29,33)(H,30,34)/b31-21+,32-22+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
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