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 = 'BDBM5644'   

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))	BDBM5644 (3-Cyclohexyl-5-(carbamoylamino)indeno[1,2-c]pyrazo...) Show SMILES NC(=O)Nc1cccc2-c3n[nH]c(C4CCCCC4)c3C(=O)c12 Show InChI InChI=1S/C17H18N4O2/c18-17(23)19-11-8-4-7-10-12(11)16(22)13-14(20-21-15(10)13)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,20,21)(H3,18,19,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	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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