Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 2' and Ligand = 'BDBM50184454'   

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))	BDBM50184454 (CHEMBL3822962) Show SMILES CCc1c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)cnn1C1CCN(CC1)C(C)=O Show InChI InChI=1S/C23H25ClN8O/c1-3-20-19(14-27-32(20)16-7-10-30(11-8-16)15(2)33)28-23-25-13-18(24)22(29-23)17-12-26-31-9-5-4-6-21(17)31/h4-6,9,12-14,16H,3,7-8,10-11H2,1-2H3,(H,25,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	832	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				J Med Chem 59: 4859-66 (2016) Article DOI: 10.1021/acs.jmedchem.6b00203 BindingDB Entry DOI: 10.7270/Q2KS6TG9
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