Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50341842'   

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 1 (Homo sapiens (Human))	BDBM50341842 ((S)-2-(Hydroxyimino)-8-((4-methoxybenzyl)amino)-N1...) Show SMILES CNC(=O)C(CCCCC[C@H](NCc1ccc(OC)cc1)C(=O)Nc1ccccc1)N=O |r| Show InChI InChI=1S/C24H32N4O4/c1-25-23(29)22(28-31)12-8-4-7-11-21(24(30)27-19-9-5-3-6-10-19)26-17-18-13-15-20(32-2)16-14-18/h3,5-6,9-10,13-16,21-22,26H,4,7-8,11-12,17H2,1-2H3,(H,25,29)(H,27,30)/t21-,22?/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	1.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human HDAC1 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay				J Med Chem 54: 2165-82 (2011) Article DOI: 10.1021/jm101373a BindingDB Entry DOI: 10.7270/Q2CR5TNZ
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