Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-A2/Cyclin-dependent kinase 2' and Ligand = 'BDBM50463033'   

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))	BDBM50463033 (CHEMBL4244860) Show SMILES ON1C(=O)C(=C(C1=O)c1cn(CCCCCC#N)c2ccccc12)c1cn(CCCCCC#N)c2ccccc12 |c:4| Show InChI InChI=1S/C32H31N5O3/c33-17-9-1-3-11-19-35-21-25(23-13-5-7-15-27(23)35)29-30(32(39)37(40)31(29)38)26-22-36(20-12-4-2-10-18-34)28-16-8-6-14-24(26)28/h5-8,13-16,21-22,40H,1-4,9-12,19-20H2	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	>1.00E+4	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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