Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '3-phosphoinositide-dependent protein kinase 1' and Ligand = 'BDBM139842'   

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))	BDBM139842 (US8895581, III-28) Show SMILES Cc1nc2cnc3ccc(cc3c2n1C1CCCOC1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O Show InChI InChI=1S/C31H26F2N6O3/c1-19-37-28-15-36-27-9-7-20(12-23(27)29(28)39(19)22-5-3-11-42-17-22)4-2-10-35-30(40)24-14-34-18-38(31(24)41)16-21-6-8-25(32)26(33)13-21/h6-9,12-15,18,22H,3,5,10-11,16-17H2,1H3,(H,35,40)	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	2	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
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