Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50187085'   

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))	BDBM50187085 (6-(4-methoxybenzylamino)-N-(2-aminophenyl)nicotina...) Show SMILES COc1ccc(CNc2ccc(cn2)C(=O)Nc2ccccc2N)cc1 Show InChI InChI=1S/C20H20N4O2/c1-26-16-9-6-14(7-10-16)12-22-19-11-8-15(13-23-19)20(25)24-18-5-3-2-4-17(18)21/h2-11,13H,12,21H2,1H3,(H,22,23)(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche Curated by ChEMBL					Assay Description Inhibition of HDAC1				J Med Chem 51: 1505-29 (2008) Article DOI: 10.1021/jm7011408 BindingDB Entry DOI: 10.7270/Q2M32WMT
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50187085 (6-(4-methoxybenzylamino)-N-(2-aminophenyl)nicotina...) Show SMILES COc1ccc(CNc2ccc(cn2)C(=O)Nc2ccccc2N)cc1 Show InChI InChI=1S/C20H20N4O2/c1-26-16-9-6-14(7-10-16)12-22-19-11-8-15(13-23-19)20(25)24-18-5-3-2-4-17(18)21/h2-11,13H,12,21H2,1H3,(H,22,23)(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1				Bioorg Med Chem Lett 16: 4048-52 (2006) Article DOI: 10.1016/j.bmcl.2006.05.005 BindingDB Entry DOI: 10.7270/Q2CF9PP5
					More data for this Ligand-Target Pair