Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50047973'   

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))	BDBM50047973 (CHEMBL3314867) Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc(Cc2nnc(Cc3cccc4ccccc34)o2)cc1 Show InChI InChI=1S/C29H24N4O2/c30-25-10-3-4-11-26(25)31-27(34)17-16-20-12-14-21(15-13-20)18-28-32-33-29(35-28)19-23-8-5-7-22-6-1-2-9-24(22)23/h1-17H,18-19,30H2,(H,31,34)/b17-16+	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	4.10E+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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