Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '3-phosphoinositide-dependent protein kinase 1' and Ligand = 'BDBM50321382'   

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))	BDBM50321382 (2-(3-(4-chlorophenyl)-3-oxo-1-phenylpropylthio)ace...) Show SMILES OC(=O)CSC(CC(=O)c1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C17H15ClO3S/c18-14-8-6-12(7-9-14)15(19)10-16(22-11-17(20)21)13-4-2-1-3-5-13/h1-9,16H,10-11H2,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Competitive binding affinity to GST-PDK1 (unknown origin) preincubated for 1 to 10 mins by surface plasmon resonance in presence of biotin-PIFtide				J Med Chem 56: 2726-37 (2013) Article DOI: 10.1021/jm4000227 BindingDB Entry DOI: 10.7270/Q24Q7WCF
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50321382 (2-(3-(4-chlorophenyl)-3-oxo-1-phenylpropylthio)ace...) Show SMILES OC(=O)CSC(CC(=O)c1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C17H15ClO3S/c18-14-8-6-12(7-9-14)15(19)10-16(22-11-17(20)21)13-4-2-1-3-5-13/h1-9,16H,10-11H2,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Displacement of PIFtide from His-tagged PDK1 by HTRF assay				Bioorg Med Chem Lett 20: 3897-902 (2010) Article DOI: 10.1016/j.bmcl.2010.05.019 BindingDB Entry DOI: 10.7270/Q2Z60Q1H
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50321382 (2-(3-(4-chlorophenyl)-3-oxo-1-phenylpropylthio)ace...) Show SMILES OC(=O)CSC(CC(=O)c1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C17H15ClO3S/c18-14-8-6-12(7-9-14)15(19)10-16(22-11-17(20)21)13-4-2-1-3-5-13/h1-9,16H,10-11H2,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to PDK1 (unknown origin) by isothermal titration calorimetric assay				J Med Chem 56: 2726-37 (2013) Article DOI: 10.1021/jm4000227 BindingDB Entry DOI: 10.7270/Q24Q7WCF
					More data for this Ligand-Target Pair