Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50229195'   

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))	BDBM50229195 (CHEMBL398617 | N-(4-amino-biphenyl-3-yl)-4-(propio...) Show SMILES CCC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccccc1 Show InChI InChI=1S/C23H23N3O2/c1-2-22(27)25-15-16-8-10-18(11-9-16)23(28)26-21-14-19(12-13-20(21)24)17-6-4-3-5-7-17/h3-14H,2,15,24H2,1H3,(H,25,27)(H,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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))	BDBM50229195 (CHEMBL398617 | N-(4-amino-biphenyl-3-yl)-4-(propio...) Show SMILES CCC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccccc1 Show InChI InChI=1S/C23H23N3O2/c1-2-22(27)25-15-16-8-10-18(11-9-16)23(28)26-21-14-19(12-13-20(21)24)17-6-4-3-5-7-17/h3-14H,2,15,24H2,1H3,(H,25,27)(H,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC1				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50229195 (CHEMBL398617 | N-(4-amino-biphenyl-3-yl)-4-(propio...) Show SMILES CCC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccccc1 Show InChI InChI=1S/C23H23N3O2/c1-2-22(27)25-15-16-8-10-18(11-9-16)23(28)26-21-14-19(12-13-20(21)24)17-6-4-3-5-7-17/h3-14H,2,15,24H2,1H3,(H,25,27)(H,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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