Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-A2/Cyclin-dependent kinase 2' and Ligand = 'BDBM6317'   

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))	BDBM6317 (6-Bromo-8-cyclopentyl-5-methyl-2-(5-morpholin-4-yl...) Show SMILES Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cn3)N3CCOCC3)ncc12 Show InChI InChI=1S/C22H25BrN6O2/c1-14-17-13-25-22(26-18-7-6-16(12-24-18)28-8-10-31-11-9-28)27-20(17)29(21(30)19(14)23)15-4-2-3-5-15/h6-7,12-13,15H,2-5,8-11H2,1H3,(H,24,25,26,27)	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	>5.00E+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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