Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '3-phosphoinositide-dependent protein kinase 1' and Ligand = 'BDBM50125790'   

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))	BDBM50125790 (CHEMBL3623846) Show SMILES OP(O)(=O)[C@H](NC[C@@H]1CCCc2ccccc12)c1ccc(F)cc1 |r| Show InChI InChI=1S/C18H21FNO3P/c19-16-10-8-14(9-11-16)18(24(21,22)23)20-12-15-6-3-5-13-4-1-2-7-17(13)15/h1-2,4,7-11,15,18,20H,3,5-6,12H2,(H2,21,22,23)/t15-,18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.94E+4	n/a	n/a	n/a	n/a	n/a
Bioinformatics Institute (BII) Curated by ChEMBL					Assay Description Displacement of PIFtide from human PDK1 PIF pocket after 1 hr by fluorescence polarization assay				J Med Chem 58: 8285-91 (2015) Article DOI: 10.1021/acs.jmedchem.5b01216 BindingDB Entry DOI: 10.7270/Q2NS0WR2
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50125790 (CHEMBL3623846) Show SMILES OP(O)(=O)[C@H](NC[C@@H]1CCCc2ccccc12)c1ccc(F)cc1 |r| Show InChI InChI=1S/C18H21FNO3P/c19-16-10-8-14(9-11-16)18(24(21,22)23)20-12-15-6-3-5-13-4-1-2-7-17(13)15/h1-2,4,7-11,15,18,20H,3,5-6,12H2,(H2,21,22,23)/t15-,18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a
Bioinformatics Institute (BII) Curated by ChEMBL					Assay Description Activation of human PDK1 catalytic activity using PIFtide as substrate after 1 hr by phosphor imager analysis in presence of [gamma-32P]-ATP relative...				J Med Chem 58: 8285-91 (2015) Article DOI: 10.1021/acs.jmedchem.5b01216 BindingDB Entry DOI: 10.7270/Q2NS0WR2
					More data for this Ligand-Target Pair