Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 2' and Ligand = 'BDBM50387970'   

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 2 (Homo sapiens (Human))	BDBM50387970 (CHEMBL2057827) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(OCCN=[N+]=[N-])c(c1)N=[N+]=[N-])-c1ccccc1 Show InChI InChI=1S/C21H18N8O2/c22-17-8-6-15(14-4-2-1-3-5-14)12-18(17)26-21(30)16-7-9-20(19(13-16)27-29-24)31-11-10-25-28-23/h1-9,12-13H,10-11,22H2,(H,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	830	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 HDAC2 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 24 hrs 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
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50387970 (CHEMBL2057827) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(OCCN=[N+]=[N-])c(c1)N=[N+]=[N-])-c1ccccc1 Show InChI InChI=1S/C21H18N8O2/c22-17-8-6-15(14-4-2-1-3-5-14)12-18(17)26-21(30)16-7-9-20(19(13-16)27-29-24)31-11-10-25-28-23/h1-9,12-13H,10-11,22H2,(H,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.50E+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 HDAC2 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 2 (Homo sapiens (Human))	BDBM50387970 (CHEMBL2057827) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(OCCN=[N+]=[N-])c(c1)N=[N+]=[N-])-c1ccccc1 Show InChI InChI=1S/C21H18N8O2/c22-17-8-6-15(14-4-2-1-3-5-14)12-18(17)26-21(30)16-7-9-20(19(13-16)27-29-24)31-11-10-25-28-23/h1-9,12-13H,10-11,22H2,(H,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40E+4	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 HDAC2 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