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/G1/S-specific cyclin-E2' and Ligand = 'BDBM50290590'   

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/G1/S-specific cyclin-E2 (Homo sapiens (Human))	BDBM50290590 (2-[6-(4-Methoxy-benzylamino)-9-methyl-9H-purin-2-y...) Show SMILES COc1ccc(CNc2nc(NCCO)nc3n(C)cnc23)cc1 Show InChI InChI=1S/C16H20N6O2/c1-22-10-19-13-14(20-16(17-7-8-23)21-15(13)22)18-9-11-3-5-12(24-2)6-4-11/h3-6,10,23H,7-9H2,1-2H3,(H2,17,18,20,21)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E				Bioorg Med Chem Lett 7: 2697-2702 (1997) Article DOI: 10.1016/S0960-894X(97)10076-2 BindingDB Entry DOI: 10.7270/Q2FJ2H8Q
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