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 = 'BDBM12606'   

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))	BDBM12606 (2,4-Diamino-5-ketopyrimidine 24 | 5-[(2-methoxyphe...) Show SMILES COc1ccccc1C(=O)c1cnc(NC2CCN(C)CC2)nc1N Show InChI InChI=1S/C18H23N5O2/c1-23-9-7-12(8-10-23)21-18-20-11-14(17(19)22-18)16(24)13-5-3-4-6-15(13)25-2/h3-6,11-12H,7-10H2,1-2H3,(H3,19,20,21,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	>-29.7	n/a	n/a	n/a	n/a	n/a	7.0	37
Hoffmann-La Roche Inc.					Assay Description Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respectiv...				J Med Chem 49: 6549-60 (2006) Article DOI: 10.1021/jm0606138 BindingDB Entry DOI: 10.7270/Q2QR4VB2
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