Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '3-phosphoinositide-dependent protein kinase 1' and Ligand = 'BDBM139780'   

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))	BDBM139780 (US8895581, II-1) Show SMILES CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cc(C)nn([C@H](C)c2ccc(F)c(F)c2)c1=O |r| Show InChI InChI=1S/C31H28F2N6O2/c1-17(2)38-20(5)36-28-16-35-27-11-8-21(14-23(27)29(28)38)7-6-12-34-30(40)24-13-18(3)37-39(31(24)41)19(4)22-9-10-25(32)26(33)15-22/h8-11,13-17,19H,12H2,1-5H3,(H,34,40)/t19-/m1/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	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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