Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50229196'   

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))	BDBM50229196 (CHEMBL253227 | N-(4-amino-biphenyl-3-yl)-4-[(cyclo...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)C2CCCCC2)cc1)-c1ccccc1 Show InChI InChI=1S/C27H29N3O2/c28-24-16-15-23(20-7-3-1-4-8-20)17-25(24)30-27(32)22-13-11-19(12-14-22)18-29-26(31)21-9-5-2-6-10-21/h1,3-4,7-8,11-17,21H,2,5-6,9-10,18,28H2,(H,29,31)(H,30,32)	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	20	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))	BDBM50229196 (CHEMBL253227 | N-(4-amino-biphenyl-3-yl)-4-[(cyclo...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)C2CCCCC2)cc1)-c1ccccc1 Show InChI InChI=1S/C27H29N3O2/c28-24-16-15-23(20-7-3-1-4-8-20)17-25(24)30-27(32)22-13-11-19(12-14-22)18-29-26(31)21-9-5-2-6-10-21/h1,3-4,7-8,11-17,21H,2,5-6,9-10,18,28H2,(H,29,31)(H,30,32)	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	20	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))	BDBM50229196 (CHEMBL253227 | N-(4-amino-biphenyl-3-yl)-4-[(cyclo...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)C2CCCCC2)cc1)-c1ccccc1 Show InChI InChI=1S/C27H29N3O2/c28-24-16-15-23(20-7-3-1-4-8-20)17-25(24)30-27(32)22-13-11-19(12-14-22)18-29-26(31)21-9-5-2-6-10-21/h1,3-4,7-8,11-17,21H,2,5-6,9-10,18,28H2,(H,29,31)(H,30,32)	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	42	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