Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50187096'   

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))	BDBM50187096 (CHEMBL214271 | N-(2-aminophenyl)-3-(6-((3,4,5-trim...) Show SMILES COc1cc(NCc2ccc(\C=C\C(=O)Nc3ccccc3N)cn2)cc(OC)c1OC Show InChI InChI=1S/C24H26N4O4/c1-30-21-12-18(13-22(31-2)24(21)32-3)27-15-17-10-8-16(14-26-17)9-11-23(29)28-20-7-5-4-6-19(20)25/h4-14,27H,15,25H2,1-3H3,(H,28,29)/b11-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.00E+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))	BDBM50187096 (CHEMBL214271 | N-(2-aminophenyl)-3-(6-((3,4,5-trim...) Show SMILES COc1cc(NCc2ccc(\C=C\C(=O)Nc3ccccc3N)cn2)cc(OC)c1OC Show InChI InChI=1S/C24H26N4O4/c1-30-21-12-18(13-22(31-2)24(21)32-3)27-15-17-10-8-16(14-26-17)9-11-23(29)28-20-7-5-4-6-19(20)25/h4-14,27H,15,25H2,1-3H3,(H,28,29)/b11-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.00E+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