Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 6' and Ligand = 'BDBM41558'   

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))	BDBM41558 (US8871728, 162f) Show SMILES Oc1cccn(CCCCCCCn2cc(nn2)-c2ccccc2)c1=S Show InChI InChI=1S/C22H20ClFN4O2/c1-22(2,3)14-7-8-18-16(10-14)19(27-30-18)21(29)26-17-11-25-28(20(17)23)12-13-5-4-6-15(24)9-13/h4-11H,12H2,1-3H3,(H,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	955	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) expressed in Escherichia coli BL21 (DE3) using GRKacYGC as substrate after 60 mins by SAMDI mass spectrometric a...				J Med Chem 56: 9969-81 (2013) Article DOI: 10.1021/jm401225q BindingDB Entry DOI: 10.7270/Q2W95D4F
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