Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-A2/Cyclin-dependent kinase 2' and Ligand = 'BDBM6286'   

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))	BDBM6286 (8-Cyclohexyl-2-(5-piperazin-1-yl-pyridin-2-ylamino...) Show SMILES O=c1ccc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCCC1 Show InChI InChI=1S/C22H27N7O/c30-20-9-6-16-14-25-22(27-21(16)29(20)17-4-2-1-3-5-17)26-19-8-7-18(15-24-19)28-12-10-23-11-13-28/h6-9,14-15,17,23H,1-5,10-13H2,(H,24,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	835	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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