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 = 'BDBM5610'   

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))	BDBM5610 (3-(4-(N,N-Dimethylamino)phenyl)-5-(morpholinoaceta...) Show SMILES CN(C)c1ccc(cc1)-c1[nH]nc2-c3cccc(NC(=O)CN4CCOCC4)c3C(=O)c12 Show InChI InChI=1S/C24H25N5O3/c1-28(2)16-8-6-15(7-9-16)22-21-23(27-26-22)17-4-3-5-18(20(17)24(21)31)25-19(30)14-29-10-12-32-13-11-29/h3-9H,10-14H2,1-2H3,(H,25,30)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...				J Med Chem 45: 5233-48 (2002) Article DOI: 10.1021/jm0201722 BindingDB Entry DOI: 10.7270/Q2MG7MQJ
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