Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 2' and Ligand = 'BDBM50389116'   

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))	BDBM50389116 (CHEMBL2064561) Show SMILES CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)c3ccccc3)[nH]nc2C1(C)C)c1ccccc1 |r| Show InChI InChI=1S/C25H29N5O3/c1-25(2)21-19(22(28-27-21)26-23(31)18-13-9-6-10-14-18)15-30(25)24(32)33-20(16-29(3)4)17-11-7-5-8-12-17/h5-14,20H,15-16H2,1-4H3,(H2,26,27,28,31)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of CDK2				J Med Chem 55: 4728-39 (2012) Article DOI: 10.1021/jm300204j BindingDB Entry DOI: 10.7270/Q2BZ673W
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