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 = 'BDBM50113740'   

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))	BDBM50113740 (2-{Benzyl-[9-isopropyl-6-(4-methoxy-benzylamino)-9...) Show SMILES COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N(CCO)Cc2ccccc2)cc1 Show InChI InChI=1S/C25H30N6O2/c1-18(2)31-17-27-22-23(26-15-19-9-11-21(33-3)12-10-19)28-25(29-24(22)31)30(13-14-32)16-20-7-5-4-6-8-20/h4-12,17-18,32H,13-16H2,1-3H3,(H,26,28,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	1.00E+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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