Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 6' and Ligand = 'BDBM50078747'   

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))	BDBM50078747 (CHEMBL3415628) Show SMILES CC1(CCN(C1=O)c1ccc2ncccc2c1)Nc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C21H20N4O3/c1-21(23-16-6-4-14(5-7-16)19(26)24-28)10-12-25(20(21)27)17-8-9-18-15(13-17)3-2-11-22-18/h2-9,11,13,23,28H,10,12H2,1H3,(H,24,26)	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	18	n/a	n/a	n/a	n/a	n/a	n/a
Roche Innovation Center Shanghai Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) using RHKK(Ac)AMC as substrate				J Med Chem 58: 2809-20 (2015) Article DOI: 10.1021/jm502011f BindingDB Entry DOI: 10.7270/Q2B56MF0
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50078747 (CHEMBL3415628) Show SMILES CC1(CCN(C1=O)c1ccc2ncccc2c1)Nc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C21H20N4O3/c1-21(23-16-6-4-14(5-7-16)19(26)24-28)10-12-25(20(21)27)17-8-9-18-15(13-17)3-2-11-22-18/h2-9,11,13,23,28H,10,12H2,1H3,(H,24,26)	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	n/a	n/a	360	n/a	n/a	n/a	n/a
Roche Innovation Center Shanghai Curated by ChEMBL					Assay Description Inhibition of HDAC6 in human A549 cells assessed as induction of tubulin acetylation after 17 to 18 hrs by ELISA				J Med Chem 58: 2809-20 (2015) Article DOI: 10.1021/jm502011f BindingDB Entry DOI: 10.7270/Q2B56MF0
					More data for this Ligand-Target Pair