Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 2' and Ligand = 'BDBM50342753'   

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))	BDBM50342753 (3-(2-(3-(((S)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclo...) Show SMILES ONC(=O)c1cccc(c1)C(=O)NN=Cc1cccc(CN2C[C@@H](OC(=O)CC\C=C\CCC2=O)c2ccccc2)c1 |r,w:14.15,t:30| Show InChI InChI=1S/C32H32N4O6/c37-29-16-6-1-2-7-17-30(38)42-28(25-12-4-3-5-13-25)22-36(29)21-24-11-8-10-23(18-24)20-33-34-31(39)26-14-9-15-27(19-26)32(40)35-41/h1-5,8-15,18-20,28,41H,6-7,16-17,21-22H2,(H,34,39)(H,35,40)/b2-1+,33-20?/t28-/m1/s1	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	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Howard Hughes Medical Institute Curated by ChEMBL					Assay Description Inhibition of full length HDAC2 assessed as 7-amino-4-methylcoumarin release from fluorophore conjugated substrate after 5 mins by fluorescence assay				Bioorg Med Chem Lett 21: 2601-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.134 BindingDB Entry DOI: 10.7270/Q2ZC835M
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