Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 3' and Ligand = 'BDBM50299972'   

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 3 (Homo sapiens (Human))	BDBM50299972 (CHEMBL585164 | Octanedioic Acid [4-(3-Azido-5-azid...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(OCc2cc(CN=[N+]=[N-])cc(c2)N=[N+]=[N-])cc1 Show InChI InChI=1S/C22H26N8O4/c23-29-25-14-16-11-17(13-19(12-16)27-30-24)15-34-20-9-7-18(8-10-20)26-21(31)5-3-1-2-4-6-22(32)28-33/h7-13,33H,1-6,14-15H2,(H,26,31)(H,28,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	740	n/a	n/a	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 HDAC3 using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 min...				Bioorg Med Chem Lett 22: 6621-7 (2012) Article DOI: 10.1016/j.bmcl.2012.08.104 BindingDB Entry DOI: 10.7270/Q2GX4CQR
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50299972 (CHEMBL585164 | Octanedioic Acid [4-(3-Azido-5-azid...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(OCc2cc(CN=[N+]=[N-])cc(c2)N=[N+]=[N-])cc1 Show InChI InChI=1S/C22H26N8O4/c23-29-25-14-16-11-17(13-19(12-16)27-30-24)15-34-20-9-7-18(8-10-20)26-21(31)5-3-1-2-4-6-22(32)28-33/h7-13,33H,1-6,14-15H2,(H,26,31)(H,28,32)	PDB 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	1.48E+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 HDAC3 using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 min...				Bioorg Med Chem Lett 22: 6621-7 (2012) Article DOI: 10.1016/j.bmcl.2012.08.104 BindingDB Entry DOI: 10.7270/Q2GX4CQR
					More data for this Ligand-Target Pair