Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 8' and Ligand = 'BDBM50538732'   

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))	BDBM50538732 (CHEMBL4642817) Show SMILES Cc1ccc(NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)c2ccc(cc2)C(=O)NO)cc1 Show InChI InChI=1S/C26H24N4O4/c1-16-6-12-20(13-7-16)28-26(33)23(14-19-15-27-22-5-3-2-4-21(19)22)29-24(31)17-8-10-18(11-9-17)25(32)30-34/h2-13,15,23,27,34H,14H2,1H3,(H,28,33)(H,29,31)(H,30,32)	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	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jadavpur University Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin)				Eur J Med Chem 164: 214-240 (2019) Article DOI: 10.1016/j.ejmech.2018.12.039 BindingDB Entry DOI: 10.7270/Q2445R1P
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