Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-A2/Cyclin-dependent kinase 2' and Ligand = 'BDBM50261169'   

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))	BDBM50261169 (CHEMBL4076545) Show SMILES CC(=O)N[C@H]1CC[C@@H](CC1)Nc1ncnc2n(cnc12)[C@@H]1C[C@@H](C1)NC(=O)c1cccc(C)n1 |r,wU:7.10,20.22,22.27,wD:4.3,(16.83,-30.61,;16.84,-32.15,;15.51,-32.93,;18.17,-32.92,;19.5,-32.14,;20.84,-32.91,;22.17,-32.13,;22.16,-30.59,;20.83,-29.83,;19.5,-30.6,;23.5,-29.82,;24.83,-30.58,;24.84,-32.12,;26.18,-32.88,;27.5,-32.11,;27.5,-30.57,;28.64,-29.53,;28.01,-28.13,;26.48,-28.3,;26.16,-29.8,;30.14,-29.85,;30.99,-31.14,;32.28,-30.29,;31.43,-29,;33.79,-30.6,;34.81,-29.46,;36.32,-29.77,;34.4,-27.97,;32.91,-27.58,;32.52,-26.09,;33.6,-25,;35.09,-25.39,;36.17,-24.3,;35.49,-26.87,)| Show InChI InChI=1S/C24H30N8O2/c1-14-4-3-5-20(28-14)24(34)31-18-10-19(11-18)32-13-27-21-22(25-12-26-23(21)32)30-17-8-6-16(7-9-17)29-15(2)33/h3-5,12-13,16-19H,6-11H2,1-2H3,(H,29,33)(H,31,34)(H,25,26,30)/t16-,17-,18-,19+	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	160	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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