Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-A2/Cyclin-dependent kinase 2' and Ligand = 'BDBM7698'   

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))	BDBM7698 (4-{2-[(3Z)-4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-ox...) Show SMILES NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cccc(C=Cc4ccc(O)cc4)c23)cc1 |w:9.8,19.18| Show InChI InChI=1S/C22H18N4O4S/c23-31(29,30)18-12-8-16(9-13-18)25-26-21-20-15(2-1-3-19(20)24-22(21)28)7-4-14-5-10-17(27)11-6-14/h1-13,25,27H,(H2,23,29,30)(H,24,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...				J Med Chem 44: 4339-58 (2001) Article DOI: 10.1021/jm010117d BindingDB Entry DOI: 10.7270/Q2ST7N10
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