Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-A2 [171-432]/Cyclin-dependent kinase 2' and Ligand = 'BDBM5571'   

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 [171-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5571 ((2S)-2-{[(2,6-diamino-5-nitrosopyrimidin-4-yl)oxy]...) Show SMILES Nc1nc(N)c(N=O)c(OC[C@@H]2NCCC2=O)n1 |r| Show InChI InChI=1S/C9H12N6O3/c10-7-6(15-17)8(14-9(11)13-7)18-3-4-5(16)1-2-12-4/h4,12H,1-3H2,(H4,10,11,13,14)/t4-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.50E+4	n/a	n/a	n/a	n/a	7.5	30
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				Bioorg Med Chem Lett 13: 217-22 (2003) Article DOI: 10.1016/s0960-894x(02)00884-3 BindingDB Entry DOI: 10.7270/Q2W09433
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