Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 8' and Ligand = 'BDBM50308306'   

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))	BDBM50308306 ((S)-tert-Butyl 7-(2-(hydroxyamino)-2-oxoethoxy)-3-...) Show SMILES CC(C)(C)OC(=O)N1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1cccc2ccccc12 |r| Show InChI InChI=1S/C27H29N3O6/c1-27(2,3)36-26(33)30-15-19-13-20(35-16-24(31)29-34)12-11-18(19)14-23(30)25(32)28-22-10-6-8-17-7-4-5-9-21(17)22/h4-13,23,34H,14-16H2,1-3H3,(H,28,32)(H,29,31)/t23-/m0/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	4.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay				Bioorg Med Chem 18: 1761-72 (2010) Article DOI: 10.1016/j.bmc.2010.01.060 BindingDB Entry DOI: 10.7270/Q2JD4WX3
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