Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '3-phosphoinositide-dependent protein kinase 1' and Ligand = 'BDBM139785'   

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))	BDBM139785 (US8895581, II-6) Show SMILES CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn([C@H](CO)c2cccc(F)c2)c1=O |r| Show InChI InChI=1S/C31H28FN5O3/c1-19(2)37-20(3)35-27-17-34-26-12-11-21(15-25(26)29(27)37)7-5-13-33-30(39)24-10-6-14-36(31(24)40)28(18-38)22-8-4-9-23(32)16-22/h4,6,8-12,14-17,19,28,38H,13,18H2,1-3H3,(H,33,39)/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	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
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