Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50259809'   

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))	BDBM50259809 (CHEMBL4070232) Show SMILES COc1ccc2c(cn(Cc3ccc(\C=C\C(=O)NO)cc3)c2c1)C(=O)c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C29H28N2O7/c1-35-21-10-11-22-23(28(33)20-13-25(36-2)29(38-4)26(14-20)37-3)17-31(24(22)15-21)16-19-7-5-18(6-8-19)9-12-27(32)30-34/h5-15,17,34H,16H2,1-4H3,(H,30,32)/b12-9+	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	130	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 using fluorogenic substrate by fluorescence assay				Eur J Med Chem 125: 1268-1278 (2017) Article DOI: 10.1016/j.ejmech.2016.11.033 BindingDB Entry DOI: 10.7270/Q2XD145D
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