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 = 'BDBM50113727'   

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))	BDBM50113727 (2-[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-purin-...) Show SMILES COc1ccc(CNc2nc(NCCO)nc3n(cnc23)C(C)C)cc1 Show InChI InChI=1S/C18H24N6O2/c1-12(2)24-11-21-15-16(22-18(19-8-9-25)23-17(15)24)20-10-13-4-6-14(26-3)7-5-13/h4-7,11-12,25H,8-10H2,1-3H3,(H2,19,20,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.50E+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
					More data for this Ligand-Target Pair