Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM27769'   

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))	BDBM27769 (N-(2-amino-5-phenylphenyl)-4-[(pyridin-4-ylamino)m...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNc2ccncc2)cc1)-c1ccccc1 Show InChI InChI=1S/C25H22N4O/c26-23-11-10-21(19-4-2-1-3-5-19)16-24(23)29-25(30)20-8-6-18(7-9-20)17-28-22-12-14-27-15-13-22/h1-16H,17,26H2,(H,27,28)(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	10	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))	BDBM27769 (N-(2-amino-5-phenylphenyl)-4-[(pyridin-4-ylamino)m...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNc2ccncc2)cc1)-c1ccccc1 Show InChI InChI=1S/C25H22N4O/c26-23-11-10-21(19-4-2-1-3-5-19)16-24(23)29-25(30)20-8-6-18(7-9-20)17-28-22-12-14-27-15-13-22/h1-16H,17,26H2,(H,27,28)(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	8.0	37
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					More data for this Ligand-Target Pair