Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50024678'   

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))	BDBM50024678 (CHEMBL3335006) Show SMILES CCN(CC)Cc1ccc2cc(CN3CCN(C3=O)c3ccc(cc3)C(=O)NO)ccc2c1 Show InChI InChI=1S/C26H30N4O3/c1-3-28(4-2)17-19-5-7-23-16-20(6-8-22(23)15-19)18-29-13-14-30(26(29)32)24-11-9-21(10-12-24)25(31)27-33/h5-12,15-16,33H,3-4,13-14,17-18H2,1-2H3,(H,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Huilun Life Sciences& Technology Co. Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) using Boc-Lys(Ac)-AMC as substrate by fluorescence assay				Bioorg Med Chem Lett 24: 4768-72 (2014) Article DOI: 10.1016/j.bmcl.2014.06.080 BindingDB Entry DOI: 10.7270/Q2J67JG6
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