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/G1/S-specific cyclin-E2' and Ligand = 'BDBM50378314'   

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/G1/S-specific cyclin-E2 (Homo sapiens (Human))	BDBM50378314 (CHEMBL578256) Show SMILES CC(C)n1cnc2c(NCc3ccc(s3)-c3ccoc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:23.24,wD:26.28,(3.43,-18.99,;4.46,-17.84,;5.96,-18.14,;3.97,-16.37,;4.86,-15.12,;3.95,-13.89,;2.49,-14.38,;1.16,-13.62,;1.15,-12.08,;-.19,-11.32,;-1.52,-12.09,;-1.68,-13.63,;-3.18,-13.96,;-3.96,-12.63,;-2.93,-11.48,;-5.5,-12.63,;-6.4,-13.87,;-7.86,-13.4,;-7.86,-11.86,;-6.4,-11.38,;-.18,-14.39,;-.17,-15.93,;-1.5,-16.71,;-1.49,-18.25,;-.16,-19.01,;-.16,-20.55,;-1.49,-21.33,;-1.49,-22.87,;-2.83,-20.56,;-2.83,-19.02,;1.17,-16.7,;2.5,-15.91,)| Show InChI InChI=1S/C23H29N7OS/c1-14(2)30-13-26-20-21(25-11-18-7-8-19(32-18)15-9-10-31-12-15)28-23(29-22(20)30)27-17-5-3-16(24)4-6-17/h7-10,12-14,16-17H,3-6,11,24H2,1-2H3,(H2,25,27,28,29)/t16-,17-	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of Cdk2/cyclinE				Bioorg Med Chem Lett 19: 6613-7 (2009) Article DOI: 10.1016/j.bmcl.2009.10.011 BindingDB Entry DOI: 10.7270/Q2M32WPQ
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