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 = 'BDBM50214794'   

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))	BDBM50214794 (CHEMBL3706627) Show SMILES CC(C)n1cnc2c(NCc3ccc(cc3)C3=CC(=S)CC=C3)nc(nc12)N(CCO)CCO |c:22,t:17| Show InChI InChI=1S/C25H30N6O2S/c1-17(2)31-16-27-22-23(28-25(29-24(22)31)30(10-12-32)11-13-33)26-15-18-6-8-19(9-7-18)20-4-3-5-21(34)14-20/h3-4,6-9,14,16-17,32-33H,5,10-13,15H2,1-2H3,(H,26,28,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E				Bioorg Med Chem Lett 7: 2697-2702 (1997) Article DOI: 10.1016/S0960-894X(97)10076-2 BindingDB Entry DOI: 10.7270/Q2FJ2H8Q
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