Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase UHRF1' and Ligand = 'BDBM50440598'   

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
E3 ubiquitin-protein ligase UHRF1 (Homo sapiens (Human))	BDBM50440598 (CHEMBL2426483) Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccc(CN2CCC(CC2)N2CCCC2)cc1 Show InChI InChI=1S/C26H40N4O/c31-26(30-19-11-25(12-20-30)29-15-3-4-16-29)23-7-5-22(6-8-23)21-27-17-9-24(10-18-27)28-13-1-2-14-28/h5-8,24-25H,1-4,9-21H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of UHRF1 (unknown origin) after 30 mins by AlphaScreen assay				J Med Chem 56: 7358-71 (2013) Article DOI: 10.1021/jm400919p BindingDB Entry DOI: 10.7270/Q2B27WRP
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