Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 8' and Ligand = 'BDBM50534343'   

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 8 (Homo sapiens (Human))	BDBM50534343 (CHEMBL4529036) Show SMILES COc1cc(OC)cc(c1)-c1nnn([C@@H](Cc2ccccc2)C(=O)NO)c1C#CC1CC1 |r| Show InChI InChI=1S/C24H24N4O4/c1-31-19-13-18(14-20(15-19)32-2)23-21(11-10-16-8-9-16)28(27-25-23)22(24(29)26-30)12-17-6-4-3-5-7-17/h3-7,13-16,22,30H,8-9,12H2,1-2H3,(H,26,29)/t22-/m0/s1	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Boston University Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin) using fluorophore-conjugated substrate by fluorescence assay				ACS Med Chem Lett 7: 929-932 (2016) Article DOI: 10.1021/acsmedchemlett.6b00239 BindingDB Entry DOI: 10.7270/Q2QC0718
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