Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-A2/Cyclin-dependent kinase 2' and Ligand = 'BDBM50261212'   

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))	BDBM50261212 (CHEMBL4087174) Show SMILES FC(F)(F)c1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NCc3cccnc3)ncnc12 |r,wU:15.18,13.13,(34.82,-21.98,;33.34,-21.59,;32.94,-20.11,;34.42,-20.49,;32.26,-22.68,;30.77,-22.28,;29.68,-23.37,;30.08,-24.85,;31.57,-25.26,;32.66,-24.17,;31.96,-26.74,;33.47,-27.06,;30.93,-27.89,;29.43,-27.57,;28.14,-28.41,;27.29,-27.12,;28.59,-26.27,;25.79,-26.79,;25.17,-25.39,;23.64,-25.55,;23.31,-27.06,;21.98,-27.82,;20.65,-27.06,;19.32,-27.82,;17.98,-27.06,;16.64,-27.82,;15.31,-27.06,;15.31,-25.52,;16.64,-24.74,;17.98,-25.52,;21.98,-29.36,;23.31,-30.14,;24.65,-29.36,;24.65,-27.82,)| Show InChI InChI=1S/C22H19F3N8O/c23-22(24,25)17-5-1-4-16(32-17)21(34)31-14-7-15(8-14)33-12-30-18-19(28-11-29-20(18)33)27-10-13-3-2-6-26-9-13/h1-6,9,11-12,14-15H,7-8,10H2,(H,31,34)(H,27,28,29)/t14-,15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	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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