Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 2' and Ligand = 'BDBM50246776'   

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))	BDBM50246776 (3-(1,3-Dioxo-1,3-dihydro-2H-indolo[1',7':4,5,6]pyr...) Show SMILES CN=C(N)SCCCn1c(=O)c2c(n3c(cc4ccccc34)c3cccc4ccn2c34)c1=O |w:1.0| Show InChI InChI=1S/C25H21N5O2S/c1-27-25(26)33-13-5-11-29-23(31)21-22(24(29)32)30-18-9-3-2-6-16(18)14-19(30)17-8-4-7-15-10-12-28(21)20(15)17/h2-4,6-10,12,14H,5,11,13H2,1H3,(H2,26,27)	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	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of General Genetics Curated by ChEMBL					Assay Description Inhibition of human CDK2/Cyc2				J Med Chem 51: 7731-6 (2008) Article DOI: 10.1021/jm800758s BindingDB Entry DOI: 10.7270/Q2HD7VH4
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