Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM172802'   

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))	BDBM172802 (US9096559, 14c | US9096559, 34) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)Cc2ccccc2)cc1)-c1ccccc1 Show InChI InChI=1S/C28H25N3O2/c29-25-16-15-24(22-9-5-2-6-10-22)18-26(25)31-28(33)23-13-11-21(12-14-23)19-30-27(32)17-20-7-3-1-4-8-20/h1-16,18H,17,19,29H2,(H,30,32)(H,31,33)	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	17	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
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM172802 (US9096559, 14c | US9096559, 34) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)Cc2ccccc2)cc1)-c1ccccc1 Show InChI InChI=1S/C28H25N3O2/c29-25-16-15-24(22-9-5-2-6-10-22)18-26(25)31-28(33)23-13-11-21(12-14-23)19-30-27(32)17-20-7-3-1-4-8-20/h1-16,18H,17,19,29H2,(H,30,32)(H,31,33)	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	72	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
					More data for this Ligand-Target Pair