Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50285590'   

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))	BDBM50285590 (CHEMBL4172420) Show SMILES COc1cc2ccn(CCCCOc3cccc(NC(=O)CCCCCCC(=O)NO)c3)c2c(OC)c1OC Show InChI InChI=1S/C29H39N3O7/c1-36-24-19-21-15-17-32(27(21)29(38-3)28(24)37-2)16-8-9-18-39-23-12-10-11-22(20-23)30-25(33)13-6-4-5-7-14-26(34)31-35/h10-12,15,17,19-20,35H,4-9,13-14,16,18H2,1-3H3,(H,30,33)(H,31,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal FLAG/His-tagged full length recombinant human HDAC1 expressed in baculovirus infected Sf9 insect cells using KI 177 as subst...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
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