Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50387967'   

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))	BDBM50387967 (CHEMBL2057823) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(cc1)N=[N+]=[N-])-c1ccccc1 Show InChI InChI=1S/C19H15N5O/c20-17-11-8-15(13-4-2-1-3-5-13)12-18(17)22-19(25)14-6-9-16(10-7-14)23-24-21/h1-12H,20H2,(H,22,25)	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	140	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 3 hrs measured after 35 mins by spectroflu...				Bioorg Med Chem Lett 22: 5025-30 (2012) Article DOI: 10.1016/j.bmcl.2012.06.017 BindingDB Entry DOI: 10.7270/Q2F76DNT
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50387967 (CHEMBL2057823) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(cc1)N=[N+]=[N-])-c1ccccc1 Show InChI InChI=1S/C19H15N5O/c20-17-11-8-15(13-4-2-1-3-5-13)12-18(17)22-19(25)14-6-9-16(10-7-14)23-24-21/h1-12H,20H2,(H,22,25)	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	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 5 mins measured after 35 mins by spectrofl...				Bioorg Med Chem Lett 22: 5025-30 (2012) Article DOI: 10.1016/j.bmcl.2012.06.017 BindingDB Entry DOI: 10.7270/Q2F76DNT
					More data for this Ligand-Target Pair