Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase' and Ligand = 'BDBM50525666'   

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))	BDBM50525666 (CHEMBL4526080) Show SMILES ONC(=O)\C=C\c1ccc(CONC(=O)c2nccc3ccccc23)cc1 Show InChI InChI=1S/C20H17N3O4/c24-18(22-26)10-9-14-5-7-15(8-6-14)13-27-23-20(25)19-17-4-2-1-3-16(17)11-12-21-19/h1-12,26H,13H2,(H,22,24)(H,23,25)/b10-9+	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	1.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University 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 further...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50525666 (CHEMBL4526080) Show SMILES ONC(=O)\C=C\c1ccc(CONC(=O)c2nccc3ccccc23)cc1 Show InChI InChI=1S/C20H17N3O4/c24-18(22-26)10-9-14-5-7-15(8-6-14)13-27-23-20(25)19-17-4-2-1-3-16(17)11-12-21-19/h1-12,26H,13H2,(H,22,24)(H,23,25)/b10-9+	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	4.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University 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 further...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					More data for this Ligand-Target Pair