Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 2' and Ligand = 'BDBM50317647'   

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))	BDBM50317647 ((3S,6S,9S,14aR)-6-((1H-indol-3-yl)methyl)-9-benzyl...) Show SMILES C[C@H](O)C(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |r| Show InChI InChI=1S/C35H43N5O6/c1-22(41)31(42)17-7-3-6-15-27-32(43)38-28(20-24-21-36-26-14-9-8-13-25(24)26)33(44)39-29(19-23-11-4-2-5-12-23)35(46)40-18-10-16-30(40)34(45)37-27/h2,4-5,8-9,11-14,21-22,27-30,36,41H,3,6-7,10,15-20H2,1H3,(H,37,45)(H,38,43)(H,39,44)/t22-,27-,28-,29-,30+/m0/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	179	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Salerno Curated by ChEMBL					Assay Description Inhibition of full length HDAC2 expressed in HEK293 cells after 15 mins by fluorescence assay				Bioorg Med Chem 18: 3252-60 (2010) Article DOI: 10.1016/j.bmc.2010.03.022 BindingDB Entry DOI: 10.7270/Q2BC3ZP6
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