Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 2' and Ligand = 'BDBM213179'   

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 2 (Homo sapiens (Human))	BDBM213179 (US9278963, 028) Show SMILES ONC(=O)c1cnc(NC2(CCN(CC2)C(=O)Cc2c[nH]c3ccccc23)c2ccccc2)nc1 Show InChI InChI=1S/C26H26N6O3/c33-23(14-18-15-27-22-9-5-4-8-21(18)22)32-12-10-26(11-13-32,20-6-2-1-3-7-20)30-25-28-16-19(17-29-25)24(34)31-35/h1-9,15-17,27,35H,10-14H2,(H,31,34)(H,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	25
Acetylon Pharmaceuticals, Inc. US Patent					Assay Description The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 20 uM TCEP) to 6 fold their final concentrat...				US Patent US9278963 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M0K
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