Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2' and Ligand = 'BDBM50329919'   

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-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50329919 (1-(3-(3-carbamoyl-1-methyl-4,5-dihydro-1H-pyrazolo...) Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)[N+]4([O-])CC[N+](C)([O-])CC4)nc3-c12 |(40.62,-1.5,;41.66,-.36,;43.19,-.53,;43.83,.88,;45.36,.88,;46.14,-.45,;46.13,2.21,;42.69,1.92,;42.69,3.47,;41.34,4.25,;40,3.47,;38.67,4.24,;37.34,3.47,;37.34,1.92,;36,1.15,;36,-.38,;37.33,-1.15,;37.34,-2.68,;36,-3.46,;34.67,-2.69,;34.67,-1.15,;33.34,-.38,;32,-1.15,;30.67,-.38,;32,-2.69,;30.67,-1.9,;38.67,-3.45,;38.27,-1.95,;38.67,-4.98,;40,-5.75,;41.33,-4.98,;42.81,-5.38,;41.32,-6.52,;41.33,-3.44,;40,-2.67,;38.67,1.15,;40,1.92,;41.34,1.15,)| Show InChI InChI=1S/C23H25F3N8O4/c1-32-20-15(19(31-32)21(27)35)5-3-13-12-28-22(30-18(13)20)29-16-11-14(4-6-17(16)38-23(24,25)26)34(37)9-7-33(2,36)8-10-34/h4,6,11-12H,3,5,7-10H2,1-2H3,(H2,27,35)(H,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences srl Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin A				Bioorg Med Chem Lett 20: 6489-94 (2010) Article DOI: 10.1016/j.bmcl.2010.09.060 BindingDB Entry DOI: 10.7270/Q2VT1T39
					More data for this Ligand-Target Pair