Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM172807'   

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))	BDBM172807 (US9096559, 41) Show SMILES CC(C)(C)C(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C23H25N3O2S/c1-23(2,3)22(28)25-14-15-6-8-16(9-7-15)21(27)26-19-13-17(10-11-18(19)24)20-5-4-12-29-20/h4-13H,14,24H2,1-3H3,(H,25,28)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou...				US Patent US9096559 (2015) BindingDB Entry DOI: 10.7270/Q2K07317
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