Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '3-phosphoinositide-dependent protein kinase 1' and Ligand = 'BDBM139788'   

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))	BDBM139788 (US8895581, II-9) Show SMILES CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn([C@H](CO)c2ccc(F)c(F)c2)c1=O |r| Show InChI InChI=1S/C31H27F2N5O3/c1-18(2)38-19(3)36-27-16-35-26-11-8-20(14-23(26)29(27)38)6-4-12-34-30(40)22-7-5-13-37(31(22)41)28(17-39)21-9-10-24(32)25(33)15-21/h5,7-11,13-16,18,28,39H,12,17H2,1-3H3,(H,34,40)/t28-/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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