Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/Glutathione S-transferase P' and Ligand = 'BDBM258878'   

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/G1/S-specific cyclin-E1/Glutathione S-transferase P (Homo sapiens (Human))	BDBM258878 (US9499492, 30) Show SMILES C[S@](=O)(Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)S(F)(F)(F)(F)F)=NC#N |r| Show InChI InChI=1S/C19H13F8N5OS2/c1-34(33,30-10-28)9-11-4-13(7-14(5-11)35(23,24,25,26)27)31-19-29-8-17(22)18(32-19)15-3-2-12(20)6-16(15)21/h2-8H,9H2,1H3,(H,29,31,32)/t34-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	8.0	22
Bayer Pharma Aktiengesellschaft US Patent					Assay Description Method 2: Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sep...				US Patent US9499492 (2016) BindingDB Entry DOI: 10.7270/Q2GH9GW0
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