Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50047968'   

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))	BDBM50047968 (CHEMBL3314862) Show SMILES ONC(=O)c1ccc(cc1)-c1nnc(Cc2cccc3ccccc23)o1 Show InChI InChI=1S/C20H15N3O3/c24-19(23-25)14-8-10-15(11-9-14)20-22-21-18(26-20)12-16-6-3-5-13-4-1-2-7-17(13)16/h1-11,25H,12H2,(H,23,24)	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	9.90E+3	n/a	n/a	n/a	n/a	n/a	25
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using histone H3 substrate pre-incubated at room temperature for 15 mins before substrate addition by fluorimet...				J Med Chem 57: 6259-65 (2014) Article DOI: 10.1021/jm500303u BindingDB Entry DOI: 10.7270/Q2KK9DFZ
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