Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 2' and Ligand = 'BDBM50250137'   

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-dependent kinase 2 (Homo sapiens (Human))	BDBM50250137 (1-Isatin-4-(4'methoxyphenyl)thiosemicarbazone | CH...) Show SMILES COc1ccc(NC(=S)NN=C2C(=O)Nc3ccccc23)cc1 |w:10.9| Show InChI InChI=1S/C16H14N4O2S/c1-22-11-8-6-10(7-9-11)17-16(23)20-19-14-12-4-2-3-5-13(12)18-15(14)21/h2-9H,1H3,(H2,17,20,23)(H,18,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclinA				J Med Chem 52: 3191-204 (2009) Article DOI: 10.1021/jm800861c BindingDB Entry DOI: 10.7270/Q23J3DWT
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