Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50275995'   

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))	BDBM50275995 ((S)-3-nitro-N-(7-oxo-1-(5-phenyl-1H-imidazol-2-yl)...) Show SMILES CC(=O)CCCCC[C@H](NS(=O)(=O)c1cccc(c1)[N+]([O-])=O)c1nc(c[nH]1)-c1ccccc1 |r| Show InChI InChI=1S/C23H26N4O5S/c1-17(28)9-4-2-7-14-21(23-24-16-22(25-23)18-10-5-3-6-11-18)26-33(31,32)20-13-8-12-19(15-20)27(29)30/h3,5-6,8,10-13,15-16,21,26H,2,4,7,9,14H2,1H3,(H,24,25)/t21-/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 human recombinant C-terminally flag tagged HDAC1				Bioorg Med Chem Lett 18: 5528-32 (2008) Article DOI: 10.1016/j.bmcl.2008.09.003 BindingDB Entry DOI: 10.7270/Q24T6K81
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