Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-A2/Cyclin-dependent kinase 2' and Ligand = 'BDBM6318'   

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))	BDBM6318 (2-({5-[bis(2-methoxyethyl)amino]pyridin-2-yl}amino...) Show SMILES COCCN(CCOC)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1 Show InChI InChI=1S/C26H34N6O4/c1-17-21-16-28-26(29-22-10-9-20(15-27-22)31(11-13-35-3)12-14-36-4)30-24(21)32(19-7-5-6-8-19)25(34)23(17)18(2)33/h9-10,15-16,19H,5-8,11-14H2,1-4H3,(H,27,28,29,30)	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	2.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The enzyme was assayed with substrate GST- retinoblastoma in the presence of 12 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...				J Med Chem 48: 2388-406 (2005) Article DOI: 10.1021/jm049354h BindingDB Entry DOI: 10.7270/Q21J97Z9
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