Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-A2/Cyclin-dependent kinase 2' and Ligand = 'BDBM50239777'   

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))	BDBM50239777 (CHEMBL4100748) Show SMILES Cc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2c1 |r| Show InChI InChI=1S/C25H27N3O8/c1-12-6-7-16-14(10-12)18(24(33)27-16)20-19(13-4-2-3-5-15(13)26-20)28-35-9-8-34-25-23(32)22(31)21(30)17(11-29)36-25/h2-7,10,17,21-23,25-26,29-32H,8-9,11H2,1H3,(H,27,33)/b20-18-,28-19+/t17-,21-,22+,23-,25-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kaiserslautern Curated by ChEMBL					Assay Description Inhibition of full length human C-terminal His6-tagged CDK2/N-terminal GST-tagged CyclinA expressed in baculovirus infected sf21 cells after 10 mins ...				J Med Chem 60: 4949-4962 (2017) Article DOI: 10.1021/acs.jmedchem.7b00324 BindingDB Entry DOI: 10.7270/Q2HM5BMK
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