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 = 'BDBM5612'   

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))	BDBM5612 (2-[4-(aminomethyl)piperidin-1-yl]-N-{3-[4-(dimethy...) Show SMILES CN(C)c1ccc(cc1)-c1[nH]nc2-c3cccc(NC(=O)CN4CCC(CN)CC4)c3C(=O)c12 Show InChI InChI=1S/C26H30N6O2/c1-31(2)18-8-6-17(7-9-18)24-23-25(30-29-24)19-4-3-5-20(22(19)26(23)34)28-21(33)15-32-12-10-16(14-27)11-13-32/h3-9,16H,10-15,27H2,1-2H3,(H,28,33)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	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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