Compile Data Set for Download or QSAR

Found 6 hits of ec50 for UniProtKB: Q15118   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial (Homo sapiens (Human))	BDBM50503709 (CHEMBL4588123) Show SMILES OCCn1nc(nc1[C@@H]1CCCCN1Cc1ccccc1)C1CCOCC1 |r| Show InChI InChI=1S/C21H30N4O2/c26-13-12-25-21(22-20(23-25)18-9-14-27-15-10-18)19-8-4-5-11-24(19)16-17-6-2-1-3-7-17/h1-3,6-7,18-19,26H,4-5,8-16H2/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	420	n/a	n/a	n/a	n/a
Shaanxi Province Tuberculosis Prevention and Treatment Institute Curated by ChEMBL					Assay Description Inhibition of PDK1 (unknown origin) using PDH E1 as substrate measured after 30 mins by kinase-glo assay				Bioorg Med Chem Lett 29: 291-296 (2019) Article DOI: 10.1016/j.bmcl.2018.11.035 BindingDB Entry DOI: 10.7270/Q26M3B2V
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial (Homo sapiens (Human))	BDBM50503710 (CHEMBL4475584) Show SMILES CN(Cc1cnc2ccccn12)C(=O)c1cc(COc2ccc3OCOc3c2)[nH]n1 Show InChI InChI=1S/C21H19N5O4/c1-25(11-15-10-22-20-4-2-3-7-26(15)20)21(27)17-8-14(23-24-17)12-28-16-5-6-18-19(9-16)30-13-29-18/h2-10H,11-13H2,1H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	500	n/a	n/a	n/a	n/a
Shaanxi Province Tuberculosis Prevention and Treatment Institute Curated by ChEMBL					Assay Description Inhibition of PDK1 (unknown origin) using PDH E1 as substrate measured after 30 mins by kinase-glo assay				Bioorg Med Chem Lett 29: 291-296 (2019) Article DOI: 10.1016/j.bmcl.2018.11.035 BindingDB Entry DOI: 10.7270/Q26M3B2V
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial (Homo sapiens (Human))	BDBM50503708 (CHEMBL4457385) Show SMILES CCCCN(Cc1ccncc1)C(=O)c1cc(n[nH]1)-c1ccccc1O Show InChI InChI=1S/C20H22N4O2/c1-2-3-12-24(14-15-8-10-21-11-9-15)20(26)18-13-17(22-23-18)16-6-4-5-7-19(16)25/h4-11,13,25H,2-3,12,14H2,1H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.99E+3	n/a	n/a	n/a	n/a
Shaanxi Province Tuberculosis Prevention and Treatment Institute Curated by ChEMBL					Assay Description Inhibition of PDK1 (unknown origin) using PDH E1 as substrate measured after 30 mins by kinase-glo assay				Bioorg Med Chem Lett 29: 291-296 (2019) Article DOI: 10.1016/j.bmcl.2018.11.035 BindingDB Entry DOI: 10.7270/Q26M3B2V
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial (Homo sapiens (Human))	BDBM50503711 (CHEMBL4447072) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-c2c(-[#6])n(-[#6])n(-c3ccccc3)c2=O)-[#6]-[#6@@H]-1-[#6]-[#6]-[#8] |r| Show InChI InChI=1S/C23H34N4O2/c1-18(2)10-12-26-14-13-25(16-21(26)11-15-28)17-22-19(3)24(4)27(23(22)29)20-8-6-5-7-9-20/h5-10,21,28H,11-17H2,1-4H3/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.64E+3	n/a	n/a	n/a	n/a
Shaanxi Province Tuberculosis Prevention and Treatment Institute Curated by ChEMBL					Assay Description Inhibition of PDK1 (unknown origin) using PDH E1 as substrate measured after 30 mins by kinase-glo assay				Bioorg Med Chem Lett 29: 291-296 (2019) Article DOI: 10.1016/j.bmcl.2018.11.035 BindingDB Entry DOI: 10.7270/Q26M3B2V
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial (Homo sapiens (Human))	BDBM50525863 (CHEMBL1708524) Show SMILES CC(C)NC(=O)COc1coc(CN2CCN(CC2)c2ccccc2F)cc1=O Show InChI InChI=1S/C21H26FN3O4/c1-15(2)23-21(27)14-29-20-13-28-16(11-19(20)26)12-24-7-9-25(10-8-24)18-6-4-3-5-17(18)22/h3-6,11,13,15H,7-10,12,14H2,1-2H3,(H,23,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.17E+4	n/a	n/a	n/a	n/a
Capital Medical University Curated by ChEMBL					Assay Description Inhibition of PDK1 (unknown origin) using PDCE1 as substrate incubated for 30 mins by kinase-Glo reagent based luminescence assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126665 BindingDB Entry DOI: 10.7270/Q2JD516Q
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial (Homo sapiens (Human))	BDBM50177027 (CPC-211 | Ceresine | DCA | Sodium dichloroacetate) Show SMILES [Na+].[O-]C(=O)C(Cl)Cl Show InChI InChI=1S/C2H2Cl2O2.Na/c3-1(4)2(5)6;/h1H,(H,5,6);/q;+1/p-1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.70E+6	n/a	n/a	n/a	n/a
Shaanxi Province Tuberculosis Prevention and Treatment Institute Curated by ChEMBL					Assay Description Inhibition of PDK1 (unknown origin) using PDH E1 as substrate measured after 30 mins by kinase-glo assay				Bioorg Med Chem Lett 29: 291-296 (2019) Article DOI: 10.1016/j.bmcl.2018.11.035 BindingDB Entry DOI: 10.7270/Q26M3B2V
					More data for this Ligand-Target Pair