Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 8' and Ligand = 'BDBM50129135'   

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))	BDBM50129135 (CHEMBL3628323) Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2cn(C)cn2)NC(=O)[C@H](NC(=O)C[C@H](OC(=O)Cn2cc1nn2)\C=C\CCSC(C)=O)C(C)C |r| Show InChI InChI=1S/C29H42N8O6S/c1-17(2)26-23-14-37(35-34-23)15-25(40)43-21(9-7-8-10-44-19(5)38)12-24(39)32-27(18(3)4)29(42)31-22(28(41)33-26)11-20-13-36(6)16-30-20/h7,9,13-14,16-18,21-22,26-27H,8,10-12,15H2,1-6H3,(H,31,42)(H,32,39)(H,33,41)/b9-7+/t21-,22-,26-,27-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ronzoni Institute for Chemical and Biochem. Research Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin) incubated for 1 hr by fluor de lys substrate based fluorescence method				Bioorg Med Chem 23: 6785-93 (2015) Article DOI: 10.1016/j.bmc.2015.10.004 BindingDB Entry DOI: 10.7270/Q21N82XF
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