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 = 'BDBM6343'   

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))	BDBM6343 (1-(4-{4-[(8-cyclopentyl-7-methoxyquinazolin-2-yl)a...) Show SMILES COc1ccc2cnc(Nc3ccc(cc3)N3CCN(CC3)C(C)=O)nc2c1C1CCCC1 Show InChI InChI=1S/C26H31N5O2/c1-18(32)30-13-15-31(16-14-30)22-10-8-21(9-11-22)28-26-27-17-20-7-12-23(33-2)24(25(20)29-26)19-5-3-4-6-19/h7-12,17,19H,3-6,13-16H2,1-2H3,(H,27,28,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	265	n/a	n/a	n/a	n/a	n/a	n/a
NAEJA Pharmaceutical Inc.					Assay Description The enzyme was assayed with substrate GST- retinoblastoma in the presence of 12 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...				Bioorg Med Chem Lett 15: 3881-5 (2005) Article DOI: 10.1016/j.bmcl.2005.05.131 BindingDB Entry DOI: 10.7270/Q2WW7FVW
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