Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50278273'   

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))	BDBM50278273 (CHEMBL4173338) Show SMILES ONC(=O)CCCCCCNC(=O)c1ccc(CNC2(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C24H31N3O3/c28-22(27-30)10-6-1-2-7-17-25-23(29)20-13-11-19(12-14-20)18-26-24(15-16-24)21-8-4-3-5-9-21/h3-5,8-9,11-14,26,30H,1-2,6-7,10,15-18H2,(H,25,29)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Xinxiang Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged and C-terminal FLAG-tagged human HDAC1 expressed in baculovirus expression system using Ac-peptide substrate incu...				Eur J Med Chem 140: 392-402 (2017) Article DOI: 10.1016/j.ejmech.2017.09.038 BindingDB Entry DOI: 10.7270/Q2HH6NK6
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