Compile Data Set for Download or QSAR

Found 173 hits for UniProtKB: Q15120   

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
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial (Homo sapiens (Human))	BDBM50236522 (CHEMBL4061698) Show SMILES COc1ccc(cc1)N(C)C(=O)c1ccc(O)cc1O Show InChI InChI=1S/C15H15NO4/c1-16(10-3-6-12(20-2)7-4-10)15(19)13-8-5-11(17)9-14(13)18/h3-9,17-18H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd. Curated by ChEMBL					Assay Description Inhibition of fluorescein-labelled VER160364 binding to PDHK3 (unknown origin) after 90 mins by fluorescence polarization assay				J Med Chem 60: 2271-2286 (2017) Article DOI: 10.1021/acs.jmedchem.6b01478 BindingDB Entry DOI: 10.7270/Q2XG9TDJ
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial (Homo sapiens (Human))	BDBM50414944 (CHEMBL121556 | NSC-402538) Show SMILES S=C(SSC(=S)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C10H16N2O2S4/c15-9(11-1-5-13-6-2-11)17-18-10(16)12-3-7-14-8-4-12/h1-8H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem	Article PubMed	2.85E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of PDK3 (unknown origin) using full length His6-tagged PDHA1 as substrate after 30 mins by ELISA				J Med Chem 60: 2227-2244 (2017) Article DOI: 10.1021/acs.jmedchem.6b01245 BindingDB Entry DOI: 10.7270/Q2RN3B3M
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial (Homo sapiens (Human))	BDBM50236039 (CHEMBL4092859) Show SMILES COC[C@@H]1COCCN1C(=S)SSC(=S)N1CCOC[C@H]1COC |r| Show InChI InChI=1S/C14H24N2O4S4/c1-17-7-11-9-19-5-3-15(11)13(21)23-24-14(22)16-4-6-20-10-12(16)8-18-2/h11-12H,3-10H2,1-2H3/t11-,12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	2.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of PDK3 (unknown origin) using full length His6-tagged PDHA1 as substrate after 30 mins by ELISA				J Med Chem 60: 2227-2244 (2017) Article DOI: 10.1021/acs.jmedchem.6b01245 BindingDB Entry DOI: 10.7270/Q2RN3B3M
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial (Homo sapiens (Human))	BDBM50237390 (CHEMBL4099635) Show SMILES S=C(SSC(=S)N1CCCOCC1)N1CCCOCC1 Show InChI InChI=1S/C12H20N2O2S4/c17-11(13-3-1-7-15-9-5-13)19-20-12(18)14-4-2-8-16-10-6-14/h1-10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	7.76E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of PDK3 (unknown origin) using full length His6-tagged PDHA1 as substrate after 30 mins by ELISA				J Med Chem 60: 2227-2244 (2017) Article DOI: 10.1021/acs.jmedchem.6b01245 BindingDB Entry DOI: 10.7270/Q2RN3B3M
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial (Homo sapiens (Human))	BDBM50526770 (CHEMBL4519504) Show SMILES CN(C)C(=O)c1ccc(cc1)N(Cc1ccc(I)o1)C(=O)c1ccc(O)cc1O Show InChI InChI=1S/C21H19IN2O5/c1-23(2)20(27)13-3-5-14(6-4-13)24(12-16-8-10-19(22)29-16)21(28)17-9-7-15(25)11-18(17)26/h3-11,25-26H,12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of PDHK3 (unknown origin) by radiometric biochemical kinase assay				J Med Chem 62: 8461-8479 (2019) Article DOI: 10.1021/acs.jmedchem.9b00565 BindingDB Entry DOI: 10.7270/Q2DB859X
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial (Homo sapiens (Human))	BDBM50472713 (CHEMBL73068) Show SMILES C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)NCC1CC1)C(F)(F)F Show InChI InChI=1S/C14H16ClF3N2O4S/c1-13(22,14(16,17)18)12(21)20-11-5-4-9(6-10(11)15)25(23,24)19-7-8-2-3-8/h4-6,8,19,22H,2-3,7H2,1H3,(H,20,21)/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay				J Med Chem 43: 2248-57 (2000) Article DOI: 10.1021/jm0000923 BindingDB Entry DOI: 10.7270/Q2C82D1Z
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial (Homo sapiens (Human))	BDBM50472668 (CHEMBL74582) Show SMILES C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)NCC=C)C(F)(F)F Show InChI InChI=1S/C13H14ClF3N2O4S/c1-3-6-18-24(22,23)8-4-5-10(9(14)7-8)19-11(20)12(2,21)13(15,16)17/h3-5,7,18,21H,1,6H2,2H3,(H,19,20)/t12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay				J Med Chem 43: 2248-57 (2000) Article DOI: 10.1021/jm0000923 BindingDB Entry DOI: 10.7270/Q2C82D1Z
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial (Homo sapiens (Human))	BDBM50472648 (CHEMBL73204) Show SMILES C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)NC1CCCC(N)C1)C(F)(F)F Show InChI InChI=1S/C16H21ClF3N3O4S/c1-15(25,16(18,19)20)14(24)22-13-6-5-11(8-12(13)17)28(26,27)23-10-4-2-3-9(21)7-10/h5-6,8-10,23,25H,2-4,7,21H2,1H3,(H,22,24)/t9?,10?,15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay				J Med Chem 43: 2248-57 (2000) Article DOI: 10.1021/jm0000923 BindingDB Entry DOI: 10.7270/Q2C82D1Z
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial (Homo sapiens (Human))	BDBM50472670 (CHEMBL75821) Show SMILES C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)NCCN1CCOCC1)C(F)(F)F Show InChI InChI=1S/C16H21ClF3N3O5S/c1-15(25,16(18,19)20)14(24)22-13-3-2-11(10-12(13)17)29(26,27)21-4-5-23-6-8-28-9-7-23/h2-3,10,21,25H,4-9H2,1H3,(H,22,24)/t15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay				J Med Chem 43: 2248-57 (2000) Article DOI: 10.1021/jm0000923 BindingDB Entry DOI: 10.7270/Q2C82D1Z
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial (Homo sapiens (Human))	BDBM50472647 (CHEMBL73099) Show SMILES CC(C)CNS(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1 Show InChI InChI=1S/C14H18ClF3N2O4S/c1-8(2)7-19-25(23,24)9-4-5-11(10(15)6-9)20-12(21)13(3,22)14(16,17)18/h4-6,8,19,22H,7H2,1-3H3,(H,20,21)/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay				J Med Chem 43: 2248-57 (2000) Article DOI: 10.1021/jm0000923 BindingDB Entry DOI: 10.7270/Q2C82D1Z
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial (Homo sapiens (Human))	BDBM50472634 (CHEMBL307687) Show SMILES C[C@@](O)(C(=O)Nc1ccc(cc1Cl)C(=O)N[C@@H](CCc1ccccc1)C(O)=O)C(F)(F)F Show InChI InChI=1S/C21H20ClF3N2O5/c1-20(32,21(23,24)25)19(31)27-15-10-8-13(11-14(15)22)17(28)26-16(18(29)30)9-7-12-5-3-2-4-6-12/h2-6,8,10-11,16,32H,7,9H2,1H3,(H,26,28)(H,27,31)(H,29,30)/t16-,20+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay				J Med Chem 43: 2248-57 (2000) Article DOI: 10.1021/jm0000923 BindingDB Entry DOI: 10.7270/Q2C82D1Z
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial (Homo sapiens (Human))	BDBM50472654 (CHEMBL75507) Show SMILES C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)NCCCN1CCCC1=O)C(F)(F)F Show InChI InChI=1S/C17H21ClF3N3O5S/c1-16(27,17(19,20)21)15(26)23-13-6-5-11(10-12(13)18)30(28,29)22-7-3-9-24-8-2-4-14(24)25/h5-6,10,22,27H,2-4,7-9H2,1H3,(H,23,26)/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay				J Med Chem 43: 2248-57 (2000) Article DOI: 10.1021/jm0000923 BindingDB Entry DOI: 10.7270/Q2C82D1Z
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial (Homo sapiens (Human))	BDBM50472671 (CHEMBL450618) Show SMILES C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)NS(=O)(=O)c1ccc(CCN)cc1)C(F)(F)F Show InChI InChI=1S/C18H19ClF3N3O6S2/c1-17(27,18(20,21)22)16(26)24-15-7-6-13(10-14(15)19)33(30,31)25-32(28,29)12-4-2-11(3-5-12)8-9-23/h2-7,10,25,27H,8-9,23H2,1H3,(H,24,26)/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay				J Med Chem 43: 2248-57 (2000) Article DOI: 10.1021/jm0000923 BindingDB Entry DOI: 10.7270/Q2C82D1Z
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial (Homo sapiens (Human))	BDBM50236533 (CHEMBL316388) Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)c1ccc(cc1)C#N)C(=O)[C@@](C)(O)C(F)(F)F |r| Show InChI InChI=1S/C18H20F3N3O3/c1-11-10-24(16(26)17(3,27)18(19,20)21)12(2)9-23(11)15(25)14-6-4-13(8-22)5-7-14/h4-7,11-12,27H,9-10H2,1-3H3/t11-,12+,17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against Pyruvate dehydrogenase kinase by primary enzymatic assay				J Med Chem 42: 2741-6 (1999) Article DOI: 10.1021/jm9902584 BindingDB Entry DOI: 10.7270/Q2G73HG0
					More data for this Ligand-Target Pair				3D Structure (crystal)
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial (Homo sapiens (Human))	BDBM50472692 (CHEMBL306972) Show SMILES CCOCCCNS(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1 Show InChI InChI=1S/C15H20ClF3N2O5S/c1-3-26-8-4-7-20-27(24,25)10-5-6-12(11(16)9-10)21-13(22)14(2,23)15(17,18)19/h5-6,9,20,23H,3-4,7-8H2,1-2H3,(H,21,22)/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay				J Med Chem 43: 2248-57 (2000) Article DOI: 10.1021/jm0000923 BindingDB Entry DOI: 10.7270/Q2C82D1Z
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial (Homo sapiens (Human))	BDBM50472676 (CHEMBL72298) Show SMILES CC(C)(C)CCNS(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1 Show InChI InChI=1S/C16H22ClF3N2O4S/c1-14(2,3)7-8-21-27(25,26)10-5-6-12(11(17)9-10)22-13(23)15(4,24)16(18,19)20/h5-6,9,21,24H,7-8H2,1-4H3,(H,22,23)/t15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay				J Med Chem 43: 2248-57 (2000) Article DOI: 10.1021/jm0000923 BindingDB Entry DOI: 10.7270/Q2C82D1Z
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial (Homo sapiens (Human))	BDBM50472697 (CHEMBL308151) Show SMILES C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)NCc1ccccn1)C(F)(F)F Show InChI InChI=1S/C16H15ClF3N3O4S/c1-15(25,16(18,19)20)14(24)23-13-6-5-11(8-12(13)17)28(26,27)22-9-10-4-2-3-7-21-10/h2-8,22,25H,9H2,1H3,(H,23,24)/t15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay				J Med Chem 43: 2248-57 (2000) Article DOI: 10.1021/jm0000923 BindingDB Entry DOI: 10.7270/Q2C82D1Z
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial (Homo sapiens (Human))	BDBM50472310 (CHEMBL84231) Show SMILES C[C@@H]1CN(CCN1C(=O)OCc1ccccc1)C(=O)[C@@](C)(O)C(F)(F)F Show InChI InChI=1S/C17H21F3N2O4/c1-12-10-21(14(23)16(2,25)17(18,19)20)8-9-22(12)15(24)26-11-13-6-4-3-5-7-13/h3-7,12,25H,8-11H2,1-2H3/t12-,16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against Pyruvate dehydrogenase kinase by primary enzymatic assay				J Med Chem 42: 2741-6 (1999) Article DOI: 10.1021/jm9902584 BindingDB Entry DOI: 10.7270/Q2G73HG0
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial (Homo sapiens (Human))	BDBM50472718 (CHEMBL72567) Show SMILES C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)N1CCC(N)C1)C(F)(F)F Show InChI InChI=1S/C14H17ClF3N3O4S/c1-13(23,14(16,17)18)12(22)20-11-3-2-9(6-10(11)15)26(24,25)21-5-4-8(19)7-21/h2-3,6,8,23H,4-5,7,19H2,1H3,(H,20,22)/t8?,13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay				J Med Chem 43: 2248-57 (2000) Article DOI: 10.1021/jm0000923 BindingDB Entry DOI: 10.7270/Q2C82D1Z
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial (Homo sapiens (Human))	BDBM50236530 (CHEMBL3727577) Show SMILES Cc1cnc(Cl)nc1-c1ccc(cc1)N(Cc1ccc(CNC(=O)C(F)F)cc1)C(=O)c1ccc(O)cc1O Show InChI InChI=1S/C28H23ClF2N4O4/c1-16-13-33-28(29)34-24(16)19-6-8-20(9-7-19)35(27(39)22-11-10-21(36)12-23(22)37)15-18-4-2-17(3-5-18)14-32-26(38)25(30)31/h2-13,25,36-37H,14-15H2,1H3,(H,32,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of PDHK3 (unknown origin) by radiometric biochemical kinase assay				J Med Chem 62: 8461-8479 (2019) Article DOI: 10.1021/acs.jmedchem.9b00565 BindingDB Entry DOI: 10.7270/Q2DB859X
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial (Homo sapiens (Human))	BDBM50472699 (CHEMBL306835) Show SMILES C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)NCCCO)C(F)(F)F Show InChI InChI=1S/C13H16ClF3N2O5S/c1-12(22,13(15,16)17)11(21)19-10-4-3-8(7-9(10)14)25(23,24)18-5-2-6-20/h3-4,7,18,20,22H,2,5-6H2,1H3,(H,19,21)/t12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay				J Med Chem 43: 2248-57 (2000) Article DOI: 10.1021/jm0000923 BindingDB Entry DOI: 10.7270/Q2C82D1Z
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial (Homo sapiens (Human))	BDBM50472637 (CHEMBL73551) Show SMILES CN(C)CCNS(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1 Show InChI InChI=1S/C14H19ClF3N3O4S/c1-13(23,14(16,17)18)12(22)20-11-5-4-9(8-10(11)15)26(24,25)19-6-7-21(2)3/h4-5,8,19,23H,6-7H2,1-3H3,(H,20,22)/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay				J Med Chem 43: 2248-57 (2000) Article DOI: 10.1021/jm0000923 BindingDB Entry DOI: 10.7270/Q2C82D1Z
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial (Homo sapiens (Human))	BDBM50472674 (CHEMBL72021) Show SMILES [Na;v0+].[#6][C@@]([#8])([#6](=O)-[#7]-c1ccc(cc1Cl)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#8-])=O)C(F)(F)F |r| Show InChI InChI=1S/C20H18ClF3N2O5.Na/c1-19(31,20(22,23)24)18(30)26-14-8-7-12(10-13(14)21)16(27)25-15(17(28)29)9-11-5-3-2-4-6-11;/h2-8,10,15,31H,9H2,1H3,(H,25,27)(H,26,30)(H,28,29);/q;+1/p-1/t15-,19+;/m0./s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay				J Med Chem 43: 2248-57 (2000) Article DOI: 10.1021/jm0000923 BindingDB Entry DOI: 10.7270/Q2C82D1Z
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial (Homo sapiens (Human))	BDBM50472633 (CHEMBL72204) Show SMILES C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)NCCc1ccc(F)cc1)C(F)(F)F Show InChI InChI=1S/C18H17ClF4N2O4S/c1-17(27,18(21,22)23)16(26)25-15-7-6-13(10-14(15)19)30(28,29)24-9-8-11-2-4-12(20)5-3-11/h2-7,10,24,27H,8-9H2,1H3,(H,25,26)/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay				J Med Chem 43: 2248-57 (2000) Article DOI: 10.1021/jm0000923 BindingDB Entry DOI: 10.7270/Q2C82D1Z
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial (Homo sapiens (Human))	BDBM50236530 (CHEMBL3727577) Show SMILES Cc1cnc(Cl)nc1-c1ccc(cc1)N(Cc1ccc(CNC(=O)C(F)F)cc1)C(=O)c1ccc(O)cc1O Show InChI InChI=1S/C28H23ClF2N4O4/c1-16-13-33-28(29)34-24(16)19-6-8-20(9-7-19)35(27(39)22-11-10-21(36)12-23(22)37)15-18-4-2-17(3-5-18)14-32-26(38)25(30)31/h2-13,25,36-37H,14-15H2,1H3,(H,32,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd. Curated by ChEMBL					Assay Description Inhibition of PDHK3 (unknown origin) assessed as decrease in phosphorylation of E1alpha subunit at serine 293 residue after 1 hr by DELFIA				J Med Chem 60: 2271-2286 (2017) Article DOI: 10.1021/acs.jmedchem.6b01478 BindingDB Entry DOI: 10.7270/Q2XG9TDJ
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial (Homo sapiens (Human))	BDBM50472693 (CHEMBL73100) Show SMILES CN(CCCO)C(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1 Show InChI InChI=1S/C15H18ClF3N2O4/c1-14(25,15(17,18)19)13(24)20-11-5-4-9(8-10(11)16)12(23)21(2)6-3-7-22/h4-5,8,22,25H,3,6-7H2,1-2H3,(H,20,24)/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay				J Med Chem 43: 2248-57 (2000) Article DOI: 10.1021/jm0000923 BindingDB Entry DOI: 10.7270/Q2C82D1Z
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial (Homo sapiens (Human))	BDBM50472314 (CHEMBL421689) Show SMILES C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)N1CCNCC1)C(F)(F)F Show InChI InChI=1S/C14H17ClF3N3O4S/c1-13(23,14(16,17)18)12(22)20-11-3-2-9(8-10(11)15)26(24,25)21-6-4-19-5-7-21/h2-3,8,19,23H,4-7H2,1H3,(H,20,22)/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against Pyruvate dehydrogenase kinase by primary enzymatic assay				J Med Chem 42: 2741-6 (1999) Article DOI: 10.1021/jm9902584 BindingDB Entry DOI: 10.7270/Q2G73HG0
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial (Homo sapiens (Human))	BDBM50526757 (CHEMBL4575355) Show SMILES CN(C)C(=O)c1ccc(cc1)N(Cc1ccc(Br)o1)C(=O)c1ccc(O)cc1O Show InChI InChI=1S/C21H19BrN2O5/c1-23(2)20(27)13-3-5-14(6-4-13)24(12-16-8-10-19(22)29-16)21(28)17-9-7-15(25)11-18(17)26/h3-11,25-26H,12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of PDHK3 (unknown origin) by radiometric biochemical kinase assay				J Med Chem 62: 8461-8479 (2019) Article DOI: 10.1021/acs.jmedchem.9b00565 BindingDB Entry DOI: 10.7270/Q2DB859X
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial (Homo sapiens (Human))	BDBM50472635 (CHEMBL74399) Show SMILES CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1 Show InChI InChI=1S/C14H18ClF3N2O4S/c1-4-20(5-2)25(23,24)9-6-7-11(10(15)8-9)19-12(21)13(3,22)14(16,17)18/h6-8,22H,4-5H2,1-3H3,(H,19,21)/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay				J Med Chem 43: 2248-57 (2000) Article DOI: 10.1021/jm0000923 BindingDB Entry DOI: 10.7270/Q2C82D1Z
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial (Homo sapiens (Human))	BDBM50526772 (CHEMBL4461160) Show SMILES CN(C)C(=O)c1ccc(cc1)N(Cc1ncc(Br)s1)C(=O)c1ccc(O)cc1O Show InChI InChI=1S/C20H18BrN3O4S/c1-23(2)19(27)12-3-5-13(6-4-12)24(11-18-22-10-17(21)29-18)20(28)15-8-7-14(25)9-16(15)26/h3-10,25-26H,11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of PDHK3 (unknown origin) by radiometric biochemical kinase assay				J Med Chem 62: 8461-8479 (2019) Article DOI: 10.1021/acs.jmedchem.9b00565 BindingDB Entry DOI: 10.7270/Q2DB859X
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial (Homo sapiens (Human))	BDBM50472661 (CHEMBL415267) Show SMILES CCN(CC)CCCNS(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1 Show InChI InChI=1S/C17H25ClF3N3O4S/c1-4-24(5-2)10-6-9-22-29(27,28)12-7-8-14(13(18)11-12)23-15(25)16(3,26)17(19,20)21/h7-8,11,22,26H,4-6,9-10H2,1-3H3,(H,23,25)/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay				J Med Chem 43: 2248-57 (2000) Article DOI: 10.1021/jm0000923 BindingDB Entry DOI: 10.7270/Q2C82D1Z
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial (Homo sapiens (Human))	BDBM50526758 (CHEMBL4570690) Show SMILES CN(C)C(=O)c1ccc(cc1)N(Cc1ccco1)C(=O)c1ccc(O)cc1O Show InChI InChI=1S/C21H20N2O5/c1-22(2)20(26)14-5-7-15(8-6-14)23(13-17-4-3-11-28-17)21(27)18-10-9-16(24)12-19(18)25/h3-12,24-25H,13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of PDHK3 (unknown origin) by radiometric biochemical kinase assay				J Med Chem 62: 8461-8479 (2019) Article DOI: 10.1021/acs.jmedchem.9b00565 BindingDB Entry DOI: 10.7270/Q2DB859X
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial (Homo sapiens (Human))	BDBM50472694 (CHEMBL73048) Show SMILES C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C11H11ClF3NO4S/c1-10(18,11(13,14)15)9(17)16-8-4-3-6(5-7(8)12)21(2,19)20/h3-5,18H,1-2H3,(H,16,17)/t10-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay				J Med Chem 43: 2248-57 (2000) Article DOI: 10.1021/jm0000923 BindingDB Entry DOI: 10.7270/Q2C82D1Z
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial (Homo sapiens (Human))	BDBM50472314 (CHEMBL421689) Show SMILES C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)N1CCNCC1)C(F)(F)F Show InChI InChI=1S/C14H17ClF3N3O4S/c1-13(23,14(16,17)18)12(22)20-11-3-2-9(8-10(11)15)26(24,25)21-6-4-19-5-7-21/h2-3,8,19,23H,4-7H2,1H3,(H,20,22)/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay				J Med Chem 43: 2248-57 (2000) Article DOI: 10.1021/jm0000923 BindingDB Entry DOI: 10.7270/Q2C82D1Z
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial (Homo sapiens (Human))	BDBM50472641 (CHEMBL306522) Show SMILES C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)N1CCN(CC1)c1ccccn1)C(F)(F)F Show InChI InChI=1S/C19H20ClF3N4O4S/c1-18(29,19(21,22)23)17(28)25-15-6-5-13(12-14(15)20)32(30,31)27-10-8-26(9-11-27)16-4-2-3-7-24-16/h2-7,12,29H,8-11H2,1H3,(H,25,28)/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay				J Med Chem 43: 2248-57 (2000) Article DOI: 10.1021/jm0000923 BindingDB Entry DOI: 10.7270/Q2C82D1Z
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial (Homo sapiens (Human))	BDBM50472707 (CHEMBL70898) Show SMILES CC(O)(C(=O)Nc1ccc(cc1Cl)S(F)(=O)=O)C(F)(F)F Show InChI InChI=1S/C10H8ClF4NO4S/c1-9(18,10(12,13)14)8(17)16-7-3-2-5(4-6(7)11)21(15,19)20/h2-4,18H,1H3,(H,16,17)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay				J Med Chem 43: 2248-57 (2000) Article DOI: 10.1021/jm0000923 BindingDB Entry DOI: 10.7270/Q2C82D1Z
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial (Homo sapiens (Human))	BDBM50472662 (CHEMBL306281) Show SMILES C[C@@](O)(C(=O)Nc1ccc(cc1Cl)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O)C(F)(F)F Show InChI InChI=1S/C26H22ClF3N2O5/c1-25(37,26(28,29)30)24(36)32-20-12-11-18(14-19(20)27)22(33)31-21(23(34)35)13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-12,14,21,37H,13H2,1H3,(H,31,33)(H,32,36)(H,34,35)/t21-,25+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay				J Med Chem 43: 2248-57 (2000) Article DOI: 10.1021/jm0000923 BindingDB Entry DOI: 10.7270/Q2C82D1Z
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial (Homo sapiens (Human))	BDBM50472315 (CHEMBL93805) Show SMILES C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(F)(=O)=O)C(F)(F)F Show InChI InChI=1S/C10H8ClF4NO4S/c1-9(18,10(12,13)14)8(17)16-7-3-2-5(4-6(7)11)21(15,19)20/h2-4,18H,1H3,(H,16,17)/t9-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against Pyruvate dehydrogenase kinase by primary enzymatic assay				J Med Chem 42: 2741-6 (1999) Article DOI: 10.1021/jm9902584 BindingDB Entry DOI: 10.7270/Q2G73HG0
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial (Homo sapiens (Human))	BDBM50472318 (CHEMBL304292) Show SMILES C[C@@H]1CN(CCN1C(=O)c1ccc(cc1)C#N)C(=O)[C@@](C)(O)C(F)(F)F Show InChI InChI=1S/C17H18F3N3O3/c1-11-10-22(15(25)16(2,26)17(18,19)20)7-8-23(11)14(24)13-5-3-12(9-21)4-6-13/h3-6,11,26H,7-8,10H2,1-2H3/t11-,16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against Pyruvate dehydrogenase kinase by primary enzymatic assay				J Med Chem 42: 2741-6 (1999) Article DOI: 10.1021/jm9902584 BindingDB Entry DOI: 10.7270/Q2G73HG0
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial (Homo sapiens (Human))	BDBM50526756 (CHEMBL4591977) Show SMILES CN(C)C(=O)c1ccc(cc1)N(Cc1cc(Br)cs1)C(=O)c1ccc(O)cc1O Show InChI InChI=1S/C21H19BrN2O4S/c1-23(2)20(27)13-3-5-15(6-4-13)24(11-17-9-14(22)12-29-17)21(28)18-8-7-16(25)10-19(18)26/h3-10,12,25-26H,11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of PDHK3 (unknown origin) by radiometric biochemical kinase assay				J Med Chem 62: 8461-8479 (2019) Article DOI: 10.1021/acs.jmedchem.9b00565 BindingDB Entry DOI: 10.7270/Q2DB859X
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial (Homo sapiens (Human))	BDBM50472316 (CHEMBL82385) Show SMILES C[C@@H]1CN([C@@H](C)CN1Cc1ccccc1)C(=O)[C@@](C)(O)C(F)(F)F Show InChI InChI=1S/C17H23F3N2O2/c1-12-10-22(15(23)16(3,24)17(18,19)20)13(2)9-21(12)11-14-7-5-4-6-8-14/h4-8,12-13,24H,9-11H2,1-3H3/t12-,13+,16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against Pyruvate dehydrogenase kinase by primary enzymatic assay				J Med Chem 42: 2741-6 (1999) Article DOI: 10.1021/jm9902584 BindingDB Entry DOI: 10.7270/Q2G73HG0
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial (Homo sapiens (Human))	BDBM50472710 (CHEMBL76189) Show SMILES C[C@@](O)(C(=O)Nc1ccc(cc1Cl)C(=O)NCCCO)C(F)(F)F Show InChI InChI=1S/C14H16ClF3N2O4/c1-13(24,14(16,17)18)12(23)20-10-4-3-8(7-9(10)15)11(22)19-5-2-6-21/h3-4,7,21,24H,2,5-6H2,1H3,(H,19,22)(H,20,23)/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay				J Med Chem 43: 2248-57 (2000) Article DOI: 10.1021/jm0000923 BindingDB Entry DOI: 10.7270/Q2C82D1Z
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial (Homo sapiens (Human))	BDBM50526780 (CHEMBL4551410) Show SMILES CN(C)C(=O)c1ccc(cc1)N(Cc1ccc(Br)s1)C(=O)c1ccc(O)cc1O Show InChI InChI=1S/C21H19BrN2O4S/c1-23(2)20(27)13-3-5-14(6-4-13)24(12-16-8-10-19(22)29-16)21(28)17-9-7-15(25)11-18(17)26/h3-11,25-26H,12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of PDHK3 (unknown origin) by radiometric biochemical kinase assay				J Med Chem 62: 8461-8479 (2019) Article DOI: 10.1021/acs.jmedchem.9b00565 BindingDB Entry DOI: 10.7270/Q2DB859X
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial (Homo sapiens (Human))	BDBM50472313 (CHEMBL310927) Show SMILES C[C@@](O)(C(=O)Nc1ccc(cc1Cl)C(O)=O)C(F)(F)F Show InChI InChI=1S/C11H9ClF3NO4/c1-10(20,11(13,14)15)9(19)16-7-3-2-5(8(17)18)4-6(7)12/h2-4,20H,1H3,(H,16,19)(H,17,18)/t10-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against Pyruvate dehydrogenase kinase by primary enzymatic assay				J Med Chem 42: 2741-6 (1999) Article DOI: 10.1021/jm9902584 BindingDB Entry DOI: 10.7270/Q2G73HG0
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial (Homo sapiens (Human))	BDBM50472313 (CHEMBL310927) Show SMILES C[C@@](O)(C(=O)Nc1ccc(cc1Cl)C(O)=O)C(F)(F)F Show InChI InChI=1S/C11H9ClF3NO4/c1-10(20,11(13,14)15)9(19)16-7-3-2-5(8(17)18)4-6(7)12/h2-4,20H,1H3,(H,16,19)(H,17,18)/t10-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay				J Med Chem 43: 2248-57 (2000) Article DOI: 10.1021/jm0000923 BindingDB Entry DOI: 10.7270/Q2C82D1Z
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial (Homo sapiens (Human))	BDBM50526759 (CHEMBL4452536) Show SMILES CN(C)C(=O)c1ccc(cc1)N(Cc1cnc(Br)s1)C(=O)c1ccc(O)cc1O Show InChI InChI=1S/C20H18BrN3O4S/c1-23(2)18(27)12-3-5-13(6-4-12)24(11-15-10-22-20(21)29-15)19(28)16-8-7-14(25)9-17(16)26/h3-10,25-26H,11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of PDHK3 (unknown origin) by radiometric biochemical kinase assay				J Med Chem 62: 8461-8479 (2019) Article DOI: 10.1021/acs.jmedchem.9b00565 BindingDB Entry DOI: 10.7270/Q2DB859X
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial (Homo sapiens (Human))	BDBM50472675 (CHEMBL70916) Show SMILES CC(C)CNS(=O)(=O)c1ccc(NC(=O)C(C)(C)O)c(Cl)c1 Show InChI InChI=1S/C14H21ClN2O4S/c1-9(2)8-16-22(20,21)10-5-6-12(11(15)7-10)17-13(18)14(3,4)19/h5-7,9,16,19H,8H2,1-4H3,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay				J Med Chem 43: 2248-57 (2000) Article DOI: 10.1021/jm0000923 BindingDB Entry DOI: 10.7270/Q2C82D1Z
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial (Homo sapiens (Human))	BDBM50526771 (CHEMBL4513465) Show SMILES CN(C)C(=O)c1ccc(cc1)N(Cc1ccc(s1)C#N)C(=O)c1ccc(O)cc1O Show InChI InChI=1S/C22H19N3O4S/c1-24(2)21(28)14-3-5-15(6-4-14)25(13-18-9-8-17(12-23)30-18)22(29)19-10-7-16(26)11-20(19)27/h3-11,26-27H,13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of PDHK3 (unknown origin) by radiometric biochemical kinase assay				J Med Chem 62: 8461-8479 (2019) Article DOI: 10.1021/acs.jmedchem.9b00565 BindingDB Entry DOI: 10.7270/Q2DB859X
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial (Homo sapiens (Human))	BDBM50236530 (CHEMBL3727577) Show SMILES Cc1cnc(Cl)nc1-c1ccc(cc1)N(Cc1ccc(CNC(=O)C(F)F)cc1)C(=O)c1ccc(O)cc1O Show InChI InChI=1S/C28H23ClF2N4O4/c1-16-13-33-28(29)34-24(16)19-6-8-20(9-7-19)35(27(39)22-11-10-21(36)12-23(22)37)15-18-4-2-17(3-5-18)14-32-26(38)25(30)31/h2-13,25,36-37H,14-15H2,1H3,(H,32,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged PDK3 expressed in Escherichia coli using PDH E1 as substrate measured after 30 mins by Kinase-Glo luminesc...				Eur J Med Chem 164: 252-262 (2019) Article DOI: 10.1016/j.ejmech.2018.12.051 BindingDB Entry DOI: 10.7270/Q2183B0Z
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial (Homo sapiens (Human))	BDBM50236530 (CHEMBL3727577) Show SMILES Cc1cnc(Cl)nc1-c1ccc(cc1)N(Cc1ccc(CNC(=O)C(F)F)cc1)C(=O)c1ccc(O)cc1O Show InChI InChI=1S/C28H23ClF2N4O4/c1-16-13-33-28(29)34-24(16)19-6-8-20(9-7-19)35(27(39)22-11-10-21(36)12-23(22)37)15-18-4-2-17(3-5-18)14-32-26(38)25(30)31/h2-13,25,36-37H,14-15H2,1H3,(H,32,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged PDK3 expressed in Escherichia coli using PDH E1 as substrate measured after 30 mins by Kinase-Glo luminesc...				Eur J Med Chem 164: 252-262 (2019) Article DOI: 10.1016/j.ejmech.2018.12.051 BindingDB Entry DOI: 10.7270/Q2183B0Z
					More data for this Ligand-Target Pair

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