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 = 'BDBM5535'   

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))	BDBM5535 (6-(cyclohexylmethoxy)-N-(3-ethylphenyl)-9H-purin-2...) Show SMILES CCc1cccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)c1 Show InChI InChI=1S/C20H25N5O/c1-2-14-9-6-10-16(11-14)23-20-24-18-17(21-13-22-18)19(25-20)26-12-15-7-4-3-5-8-15/h6,9-11,13,15H,2-5,7-8,12H2,1H3,(H2,21,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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 ...				J Med Chem 47: 3710-22 (2004) Article DOI: 10.1021/jm0311442 BindingDB Entry DOI: 10.7270/Q24J0C9Z
					More data for this Ligand-Target Pair