Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 2/G1/S-specific cyclin-E1' and Ligand = 'BDBM50016157'   

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
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50016157 (CHEMBL3261508) Show SMILES CCOC(=O)c1sc(nc1O)-c1ccc(OC)cc1 Show InChI InChI=1S/C13H13NO4S/c1-3-18-13(16)10-11(15)14-12(19-10)8-4-6-9(17-2)7-5-8/h4-7,15H,3H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.25E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin-E (unknown origin) using maltose binding protein as substrate by HTRF assay				Eur J Med Chem 80: 364-82 (2014) Article DOI: 10.1016/j.ejmech.2014.04.013 BindingDB Entry DOI: 10.7270/Q2NC62R8
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