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 = 'BDBM50290598'   

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))	BDBM50290598 (2-{(2-Hydroxy-ethyl)-[6-(4-methoxy-benzylamino)-9-...) Show SMILES COc1ccc(CNc2nc(nc3n(Cc4ccc5ccccc5c4)cnc23)N(CCO)CCO)cc1 Show InChI InChI=1S/C28H30N6O3/c1-37-24-10-7-20(8-11-24)17-29-26-25-27(32-28(31-26)33(12-14-35)13-15-36)34(19-30-25)18-21-6-9-22-4-2-3-5-23(22)16-21/h2-11,16,19,35-36H,12-15,17-18H2,1H3,(H,29,31,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	5.00E+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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