Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50187097'   

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))	BDBM50187097 (3-(6-(4-methoxybenzylamino)pyridin-3-yl)-N-(2-amin...) Show SMILES COc1ccc(CNc2ccc(\C=C\C(=O)Nc3ccccc3N)cn2)cc1 Show InChI InChI=1S/C22H22N4O2/c1-28-18-10-6-16(7-11-18)14-24-21-12-8-17(15-25-21)9-13-22(27)26-20-5-3-2-4-19(20)23/h2-13,15H,14,23H2,1H3,(H,24,25)(H,26,27)/b13-9+	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	2.00E+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))	BDBM50187097 (3-(6-(4-methoxybenzylamino)pyridin-3-yl)-N-(2-amin...) Show SMILES COc1ccc(CNc2ccc(\C=C\C(=O)Nc3ccccc3N)cn2)cc1 Show InChI InChI=1S/C22H22N4O2/c1-28-18-10-6-16(7-11-18)14-24-21-12-8-17(15-25-21)9-13-22(27)26-20-5-3-2-4-19(20)23/h2-13,15H,14,23H2,1H3,(H,24,25)(H,26,27)/b13-9+	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	2.00E+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