Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase' and Ligand = 'BDBM50509457'   

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 (Homo sapiens (Human))	BDBM50509457 (CHEMBL4460434) Show SMILES Nc1ccccc1NC(=O)c1ccc(CN(CC(=O)NCc2ccccc2)C(=O)c2cccnc2)cc1 Show InChI InChI=1S/C29H27N5O3/c30-25-10-4-5-11-26(25)33-28(36)23-14-12-22(13-15-23)19-34(29(37)24-9-6-16-31-18-24)20-27(35)32-17-21-7-2-1-3-8-21/h1-16,18H,17,19-20,30H2,(H,32,35)(H,33,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC in human CAL27 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition and measure...				J Med Chem 62: 11260-11279 (2019) Article DOI: 10.1021/acs.jmedchem.9b01489 BindingDB Entry DOI: 10.7270/Q2JW8J5F
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50509457 (CHEMBL4460434) Show SMILES Nc1ccccc1NC(=O)c1ccc(CN(CC(=O)NCc2ccccc2)C(=O)c2cccnc2)cc1 Show InChI InChI=1S/C29H27N5O3/c30-25-10-4-5-11-26(25)33-28(36)23-14-12-22(13-15-23)19-34(29(37)24-9-6-16-31-18-24)20-27(35)32-17-21-7-2-1-3-8-21/h1-16,18H,17,19-20,30H2,(H,32,35)(H,33,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC in human A2780 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition and measure...				J Med Chem 62: 11260-11279 (2019) Article DOI: 10.1021/acs.jmedchem.9b01489 BindingDB Entry DOI: 10.7270/Q2JW8J5F
					More data for this Ligand-Target Pair