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 = 'BDBM50378295'   

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))	BDBM50378295 (CHEMBL565490) Show SMILES CC(C)n1cnc2c(NCc3ccc(s3)-c3ccccc3F)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(16.24,-30.97,;17.26,-29.82,;18.77,-30.13,;16.77,-28.36,;17.66,-27.11,;16.75,-25.88,;15.29,-26.36,;13.96,-25.61,;13.95,-24.07,;12.61,-23.3,;11.28,-24.08,;11.13,-25.62,;9.62,-25.95,;8.85,-24.62,;9.87,-23.47,;7.31,-24.62,;6.54,-25.95,;5.01,-25.96,;4.24,-24.62,;5,-23.29,;6.53,-23.29,;7.3,-21.95,;12.63,-26.38,;12.63,-27.92,;11.3,-28.69,;11.31,-30.23,;12.64,-30.99,;12.64,-32.54,;11.31,-33.31,;11.31,-34.85,;9.97,-32.54,;9.97,-31.01,;13.97,-28.68,;15.31,-27.9,)| Show InChI InChI=1S/C25H30FN7S/c1-15(2)33-14-29-22-23(31-25(32-24(22)33)30-17-9-7-16(27)8-10-17)28-13-18-11-12-21(34-18)19-5-3-4-6-20(19)26/h3-6,11-12,14-17H,7-10,13,27H2,1-2H3,(H2,28,30,31,32)/t16-,17-	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0800	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
					More data for this Ligand-Target Pair