Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50195130'   

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))	BDBM50195130 ((S)-N-(1-(biphenyl-3-ylamino)-1,8-dioxononan-2-yl)...) Show SMILES CC(=O)CCCCC[C@H](NC(=O)c1cncs1)C(=O)Nc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C25H27N3O3S/c1-18(29)9-4-2-7-14-22(28-25(31)23-16-26-17-32-23)24(30)27-21-13-8-12-20(15-21)19-10-5-3-6-11-19/h3,5-6,8,10-13,15-17,22H,2,4,7,9,14H2,1H3,(H,27,30)(H,28,31)/t22-/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	55	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC1 (mean IC50)				Bioorg Med Chem Lett 16: 5948-52 (2006) Article DOI: 10.1016/j.bmcl.2006.09.002 BindingDB Entry DOI: 10.7270/Q2RN38PD
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