Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 2' and Ligand = 'BDBM50081180'   

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))	BDBM50081180 (CHEMBL3421969) Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1c[nH]c2cnc(C)cc12)N1CCN(C)CC1 Show InChI InChI=1S/C24H27N7O/c1-16-12-18-19(14-27-22(18)15-26-16)20-6-7-25-24(28-20)29-21-5-4-17(13-23(21)32-3)31-10-8-30(2)9-11-31/h4-7,12-15,27H,8-11H2,1-3H3,(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	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant full length C-terminal His6-tagged CDK2 expressed in baculovirus infected Sf21 insect cells using fluorescence substr...				J Med Chem 58: 2834-44 (2015) Article DOI: 10.1021/acs.jmedchem.5b00098 BindingDB Entry DOI: 10.7270/Q23B61VW
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