Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50229190'   

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))	BDBM50229190 (CHEMBL253869 | N-(4-amino-biphenyl-3-yl)-4-[(3-pyr...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)CCc2cccnc2)cc1)-c1ccccc1 Show InChI InChI=1S/C28H26N4O2/c29-25-14-13-24(22-6-2-1-3-7-22)17-26(25)32-28(34)23-11-8-21(9-12-23)19-31-27(33)15-10-20-5-4-16-30-18-20/h1-9,11-14,16-18H,10,15,19,29H2,(H,31,33)(H,32,34)	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	11	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))	BDBM50229190 (CHEMBL253869 | N-(4-amino-biphenyl-3-yl)-4-[(3-pyr...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)CCc2cccnc2)cc1)-c1ccccc1 Show InChI InChI=1S/C28H26N4O2/c29-25-14-13-24(22-6-2-1-3-7-22)17-26(25)32-28(34)23-11-8-21(9-12-23)19-31-27(33)15-10-20-5-4-16-30-18-20/h1-9,11-14,16-18H,10,15,19,29H2,(H,31,33)(H,32,34)	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	11	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))	BDBM50229190 (CHEMBL253869 | N-(4-amino-biphenyl-3-yl)-4-[(3-pyr...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)CCc2cccnc2)cc1)-c1ccccc1 Show InChI InChI=1S/C28H26N4O2/c29-25-14-13-24(22-6-2-1-3-7-22)17-26(25)32-28(34)23-11-8-21(9-12-23)19-31-27(33)15-10-20-5-4-16-30-18-20/h1-9,11-14,16-18H,10,15,19,29H2,(H,31,33)(H,32,34)	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	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
					More data for this Ligand-Target Pair