Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 6' and Ligand = 'BDBM50148628'   

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))	BDBM50148628 (CHEMBL3769629) Show SMILES [H][C@]12CCCN1C(=O)[C@]1([H])CCCN1C(=O)C[C@@H](NC(=O)[C@@H](NC2=O)C(C)C)C(=O)NCCCC(=O)NO |r| Show InChI InChI=1S/C23H36N6O7/c1-13(2)19-22(34)25-14(20(32)24-9-3-8-17(30)27-36)12-18(31)28-10-5-7-16(28)23(35)29-11-4-6-15(29)21(33)26-19/h13-16,19,36H,3-12H2,1-2H3,(H,24,32)(H,25,34)(H,26,33)(H,27,30)/t14-,15-,16+,19+/m1/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	7.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human KDAC6 using FITC-histone 4 acetylated peptide substrate incubated for 60 mins by microfluidic chip-based assay				J Med Chem 59: 1613-33 (2016) Article DOI: 10.1021/acs.jmedchem.5b01632 BindingDB Entry DOI: 10.7270/Q2SB47MP
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