Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM213176'   

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 1 (Homo sapiens (Human))	BDBM213176 (US9278963, 023) Show SMILES ONC(=O)c1cnc(NC2(CCN(CC2)S(=O)(=O)c2ccccc2)c2ccccc2)nc1 Show InChI InChI=1S/C22H23N5O4S/c28-20(26-29)17-15-23-21(24-16-17)25-22(18-7-3-1-4-8-18)11-13-27(14-12-22)32(30,31)19-9-5-2-6-10-19/h1-10,15-16,29H,11-14H2,(H,26,28)(H,23,24,25)	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	844	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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