Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50188889'   

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))	BDBM50188889 (CHEMBL3828289) Show SMILES COc1ccc(cc1-c1nc(N2CCOCC2)c2nc(CN(C)c3ncc(cn3)C(=O)NO)n(C)c2n1)C(F)(F)F Show InChI InChI=1S/C25H26F3N9O4/c1-35(24-29-11-14(12-30-24)23(38)34-39)13-18-31-19-21(36(18)2)32-20(33-22(19)37-6-8-41-9-7-37)16-10-15(25(26,27)28)4-5-17(16)40-3/h4-5,10-12,39H,6-9,13H2,1-3H3,(H,34,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
West China Hospital of Sichuan University Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His/FLAG-tagged human recombinant HDAC1 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC ...				J Med Chem 59: 5488-504 (2016) Article DOI: 10.1021/acs.jmedchem.6b00579 BindingDB Entry DOI: 10.7270/Q2T155K0
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