Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '3-phosphoinositide-dependent protein kinase 1' and Ligand = 'BDBM139840'   

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 (Homo sapiens (Human))	BDBM139840 (US8895581, III-26) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn([C@@H](CO)c2cccc(F)c2)c1=O |r,wU:6.9,wD:33.36,3.2,(2.18,-2.84,;1.09,-1.75,;1.49,-.26,;-.39,-2.14,;-1.48,-1.06,;-2.97,-1.45,;-3.37,-2.94,;-2.28,-4.03,;-.79,-3.63,;-4.86,-3.34,;-5.48,-4.75,;-7.02,-4.59,;-7.34,-3.08,;-8.67,-2.31,;-8.67,-.77,;-7.34,,;-7.34,1.54,;-6,2.31,;-4.67,1.54,;-4.67,,;-6,-.77,;-6,-2.31,;-3.33,2.31,;-2,3.08,;-.67,3.85,;.67,3.08,;2,3.85,;2,5.39,;3.33,3.08,;4.67,3.85,;6,3.08,;6,1.54,;4.67,.77,;4.67,-.77,;3.33,-1.54,;3.33,-3.08,;6,-1.54,;7.34,-.77,;8.67,-1.54,;8.67,-3.08,;7.34,-3.85,;7.34,-5.39,;6,-3.08,;3.33,1.54,;2,.77,)| Show InChI InChI=1S/C35H35FN6O3/c1-40(2)26-11-13-27(14-12-26)42-22-39-31-20-38-30-15-10-23(18-29(30)33(31)42)6-4-16-37-34(44)28-9-5-17-41(35(28)45)32(21-43)24-7-3-8-25(36)19-24/h3,5,7-10,15,17-20,22,26-27,32,43H,11-14,16,21H2,1-2H3,(H,37,44)/t26-,27-,32-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Recombinant human PDK1 enzyme (aa 52-556) linked at its N-terminal end to His6 is isolated from baculovirus-infected insect cells. Purified enzyme ma...				US Patent US8895581 (2014) BindingDB Entry DOI: 10.7270/Q2HM5742
					More data for this Ligand-Target Pair