Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 8' and Ligand = 'BDBM50113954'   

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))	BDBM50113954 (CHEMBL3605507) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@@H](Cc3c[nH]cn3)CO2)cc1 |r,t:17| Show InChI InChI=1S/C21H22N6O2/c22-18-3-1-2-4-19(18)27-20(28)15-7-5-14(6-8-15)10-24-21-26-17(12-29-21)9-16-11-23-13-25-16/h1-8,11,13,17H,9-10,12,22H2,(H,23,25)(H,24,26)(H,27,28)/t17-/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	1.79E+5	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of His-flagged recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21 pre-incubated for 15 mins before substrate addition b...				J Med Chem 58: 6803-18 (2015) Article DOI: 10.1021/acs.jmedchem.5b00545 BindingDB Entry DOI: 10.7270/Q26T0PFV
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