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 = 'BDBM50154929'   

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))	BDBM50154929 (CHEMBL3775677) Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(NCC(O)CO)nc12 Show InChI InChI=1S/C23H27N7O2/c1-14(2)19-20-21(30-29-19)22(28-23(27-20)26-12-17(32)13-31)25-11-15-6-8-16(9-7-15)18-5-3-4-10-24-18/h3-10,14,17,31-32H,11-13H2,1-2H3,(H,29,30)(H2,25,26,27,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
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