Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-A2/Cyclin-dependent kinase 2' and Ligand = 'BDBM50261198'   

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-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50261198 (CHEMBL4091242) Show SMILES COc1ccc(Nc2ncnc3n(cnc23)[C@@H]2C[C@@H](C2)NC(=O)c2cccc(C)n2)cc1OC |r,wU:16.17,18.22,(11.31,-24.61,;12.65,-25.37,;13.98,-24.58,;13.97,-23.04,;15.29,-22.27,;16.63,-23.02,;17.96,-22.24,;19.3,-22.99,;19.32,-24.53,;20.66,-25.29,;21.98,-24.5,;21.96,-22.96,;23.1,-21.92,;22.46,-20.52,;20.93,-20.7,;20.62,-22.21,;24.61,-22.23,;25.46,-23.51,;26.74,-22.66,;25.9,-21.38,;28.25,-22.96,;29.28,-21.81,;30.79,-22.12,;28.86,-20.33,;27.37,-19.94,;26.95,-18.46,;28.03,-17.36,;29.52,-17.75,;30.61,-16.65,;29.94,-19.23,;16.65,-24.56,;15.33,-25.34,;15.34,-26.89,;14.02,-27.66,)| Show InChI InChI=1S/C24H25N7O3/c1-14-5-4-6-18(28-14)24(32)30-16-9-17(10-16)31-13-27-21-22(25-12-26-23(21)31)29-15-7-8-19(33-2)20(11-15)34-3/h4-8,11-13,16-17H,9-10H2,1-3H3,(H,30,32)(H,25,26,29)/t16-,17+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of CDK2/CyclinA (unknown origin) using ULingt-4E-BP as substrate after 1 hr in presence of ATP by fluorescence assay				Bioorg Med Chem Lett 27: 4399-4404 (2017) Article DOI: 10.1016/j.bmcl.2017.08.018 BindingDB Entry DOI: 10.7270/Q2W66P60
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