Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '3-phosphoinositide-dependent protein kinase 1' and Ligand = 'BDBM50184998'   

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))	BDBM50184998 (CHEMBL3823242) Show SMILES OP(O)(=O)OC[C@H]1[C@@H](OCc2ccccc2)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O |r| Show InChI InChI=1S/C14H25O21P5/c15-36(16,17)31-7-9-10(30-6-8-4-2-1-3-5-8)12(33-38(21,22)23)14(35-40(27,28)29)13(34-39(24,25)26)11(9)32-37(18,19)20/h1-5,9-14H,6-7H2,(H2,15,16,17)(H2,18,19,20)(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)/t9-,10+,11+,12+,13-,14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Inhibition of PDK1 (unknown origin)				Eur J Med Chem 118: 47-63 (2016) Article DOI: 10.1016/j.ejmech.2016.04.003 BindingDB Entry DOI: 10.7270/Q2F191NB
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