Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 8' and Ligand = 'BDBM50534337'   

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))	BDBM50534337 (CHEMBL4566086) Show SMILES ONC(=O)[C@H](Cc1c[nH]c2ccccc12)n1nnc(c1C#CC1CC1)-c1ccccc1 |r| Show InChI InChI=1S/C24H21N5O2/c30-24(27-31)22(14-18-15-25-20-9-5-4-8-19(18)20)29-21(13-12-16-10-11-16)23(26-28-29)17-6-2-1-3-7-17/h1-9,15-16,22,25,31H,10-11,14H2,(H,27,30)/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	7	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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