Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 6' and Ligand = 'BDBM50465051'   

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))	BDBM50465051 (CHEMBL4285950) Show SMILES CC1(C)OB(OC1(C)C)c1ccc(CONC(=O)\C=C\c2cccc(c2)S(=O)(=O)Nc2ccccc2)cc1 Show InChI InChI=1S/C28H31BN2O6S/c1-27(2)28(3,4)37-29(36-27)23-16-13-22(14-17-23)20-35-30-26(32)18-15-21-9-8-12-25(19-21)38(33,34)31-24-10-6-5-7-11-24/h5-19,31H,20H2,1-4H3,(H,30,32)/b18-15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.02E+4	n/a	n/a	n/a	n/a
Xavier University of Louisiana Curated by ChEMBL					Assay Description Inhibition of human HDAC6 using RHKK(Ac)AMC as substrate				ACS Med Chem Lett 9: 149-154 (2018) Article DOI: 10.1021/acsmedchemlett.7b00504 BindingDB Entry DOI: 10.7270/Q2S75K03
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