Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50047972'   

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))	BDBM50047972 (CHEMBL3314866) Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)-c1nnc(Cc2c[nH]c3ccccc23)o1 Show InChI InChI=1S/C26H21N5O2/c27-21-6-2-4-8-23(21)29-24(32)14-11-17-9-12-18(13-10-17)26-31-30-25(33-26)15-19-16-28-22-7-3-1-5-20(19)22/h1-14,16,28H,15,27H2,(H,29,32)/b14-11+	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	1.50E+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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