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' and Ligand = 'BDBM50341878'   

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 (Homo sapiens (Human))	BDBM50341878 ((2R)-2-{[7-(benzylamino)-3-(propan-2-yl)-1H-pyrazo...) Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2n[nH]c(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O/c1-4-14(11-26)21-19-22-16-15(12(2)3)24-25-17(16)18(23-19)20-10-13-8-6-5-7-9-13/h5-9,12,14,26H,4,10-11H2,1-3H3,(H,24,25)(H2,20,21,22,23)/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Palacky£? University and Institute of Experimental Botany ASCR Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK2/cyclin E				J Med Chem 54: 2980-93 (2011) Article DOI: 10.1021/jm200064p BindingDB Entry DOI: 10.7270/Q20K28XN
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