Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '3-phosphoinositide-dependent protein kinase 1 [48-359]' and Ligand = 'BDBM32449'   

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
3-phosphoinositide-dependent protein kinase 1 [48-359] (Homo sapiens (Human))	BDBM32449 (Benzo[c][2,7]naphthyridine, 41) Show SMILES COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(Nc2ccccc2N)c1 Show InChI InChI=1S/C25H22N6O2/c1-32-23-9-17-16-8-21(31-25(27)18(16)13-29-22(17)10-24(23)33-2)14-7-15(12-28-11-14)30-20-6-4-3-5-19(20)26/h3-13,30H,26H2,1-2H3,(H2,27,31)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description A homogeneous in vitro assay based on a LANCE format was first used for high-throughput screening. Those compounds that showed the largest differenti...				Bioorg Med Chem Lett 19: 5225-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.007 BindingDB Entry DOI: 10.7270/Q2XK8CXJ
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