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 = 'BDBM50378307'   

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))	BDBM50378307 (CHEMBL566329) Show SMILES CC(C)n1cnc2c(NCc3coc(c3)-c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(-.19,-30.09,;.83,-28.94,;2.34,-29.25,;.34,-27.48,;1.24,-26.23,;.32,-25,;-1.13,-25.48,;-2.47,-24.73,;-2.48,-23.19,;-3.81,-22.42,;-5.14,-23.2,;-6.55,-22.59,;-7.57,-23.74,;-6.8,-25.07,;-5.29,-24.74,;-7.55,-26.41,;-9.09,-26.42,;-9.84,-27.76,;-9.06,-29.09,;-7.51,-29.07,;-6.76,-27.72,;-3.8,-25.5,;-3.79,-27.04,;-5.12,-27.82,;-5.12,-29.36,;-3.79,-30.12,;-3.78,-31.66,;-5.12,-32.43,;-5.12,-33.97,;-6.45,-31.66,;-6.46,-30.13,;-2.45,-27.8,;-1.12,-27.02,)| Show InChI InChI=1S/C25H31N7O/c1-16(2)32-15-28-22-23(27-13-17-12-21(33-14-17)18-6-4-3-5-7-18)30-25(31-24(22)32)29-20-10-8-19(26)9-11-20/h3-7,12,14-16,19-20H,8-11,13,26H2,1-2H3,(H2,27,29,30,31)/t19-,20-	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.150	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