Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-A2/Cyclin-dependent kinase 2' and Ligand = 'BDBM50463026'   

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))	BDBM50463026 (CHEMBL4240779) Show SMILES Cn1cc(C2=C(C(=O)N(O)C2=O)c2cn(CCCCCC(O)=O)c3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C27H25N3O5/c1-28-15-19(17-9-4-6-11-21(17)28)24-25(27(34)30(35)26(24)33)20-16-29(14-8-2-3-13-23(31)32)22-12-7-5-10-18(20)22/h4-7,9-12,15-16,35H,2-3,8,13-14H2,1H3,(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University College Cork Curated by ChEMBL					Assay Description Inhibition of full length human CDK2/cyclin A using histone H1 as substrate in presence of [gamma-33P]ATP				Bioorg Med Chem 26: 4209-4224 (2018) Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T
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