BindingDB Reactant_set_id Ligand SMILES Ligand InChI Ligand InChI Key BindingDB MonomerID BindingDB Ligand Name Target Name Target Source Organism According to Curator or DataSource Ki (nM) IC50 (nM) Kd (nM) EC50 (nM) kon (M-1-s-1) koff (s-1) pH Temp (C) Curation/DataSource Article DOI BindingDB Entry DOI PMID PubChem AID Patent Number Authors Date of publication Date in BindingDB Institution Link to Ligand in BindingDB Link to Target in BindingDB Link to Ligand-Target Pair in BindingDB Ligand HET ID in PDB PDB ID(s) for Ligand-Target Complex PubChem CID PubChem SID ChEBI ID of Ligand ChEMBL ID of Ligand DrugBank ID of Ligand IUPHAR_GRAC ID of Ligand KEGG ID of Ligand ZINC ID of Ligand Number of Protein Chains in Target (>1 implies a multichain complex) BindingDB Target Chain Sequence 1 PDB ID(s) of Target Chain 1 UniProt (SwissProt) Recommended Name of Target Chain 1 UniProt (SwissProt) Entry Name of Target Chain 1 UniProt (SwissProt) Primary ID of Target Chain 1 UniProt (SwissProt) Secondary ID(s) of Target Chain 1 UniProt (SwissProt) Alternative ID(s) of Target Chain 1 UniProt (TrEMBL) Submitted Name of Target Chain 1 UniProt (TrEMBL) Entry Name of Target Chain 1 UniProt (TrEMBL) Primary ID of Target Chain 1 UniProt (TrEMBL) Secondary ID(s) of Target Chain 1 UniProt (TrEMBL) Alternative ID(s) of Target Chain 1 BindingDB Target Chain Sequence 2 PDB ID(s) of Target Chain 2 UniProt (SwissProt) Recommended Name of Target Chain 2 UniProt (SwissProt) Entry Name of Target Chain 2 UniProt (SwissProt) Primary ID of Target Chain 2 UniProt (SwissProt) Secondary ID(s) of Target Chain 2 UniProt (SwissProt) Alternative ID(s) of Target Chain 2 UniProt (TrEMBL) Submitted Name of Target Chain 2 UniProt (TrEMBL) Entry Name of Target Chain 2 UniProt (TrEMBL) Primary ID of Target Chain 2 UniProt (TrEMBL) Secondary ID(s) of Target Chain 2 UniProt (TrEMBL) Alternative ID(s) of Target Chain 2 BindingDB Target Chain Sequence 3 PDB ID(s) of Target Chain 3 UniProt (SwissProt) Recommended Name of Target Chain 3 UniProt (SwissProt) Entry Name of Target Chain 3 UniProt (SwissProt) Primary ID of Target Chain 3 UniProt (SwissProt) Secondary ID(s) of Target Chain 3 UniProt (SwissProt) Alternative ID(s) of Target Chain 3 UniProt (TrEMBL) Submitted Name of Target Chain 3 UniProt (TrEMBL) Entry Name of Target Chain 3 UniProt (TrEMBL) Primary ID of Target Chain 3 UniProt (TrEMBL) Secondary ID(s) of Target Chain 3 UniProt (TrEMBL) Alternative ID(s) of Target Chain 3 BindingDB Target Chain Sequence 4 PDB ID(s) of Target Chain 4 UniProt (SwissProt) Recommended Name of Target Chain 4 UniProt (SwissProt) Entry Name of Target Chain 4 UniProt (SwissProt) Primary ID of Target Chain 4 UniProt (SwissProt) Secondary ID(s) of Target Chain 4 UniProt (SwissProt) Alternative ID(s) of Target Chain 4 UniProt (TrEMBL) Submitted Name of Target Chain 4 UniProt (TrEMBL) Entry Name of Target Chain 4 UniProt (TrEMBL) Primary ID of Target Chain 4 UniProt (TrEMBL) Secondary ID(s) of Target Chain 4 UniProt (TrEMBL) Alternative ID(s) of Target Chain 4 BindingDB Target Chain Sequence 5 PDB ID(s) of Target Chain 5 UniProt (SwissProt) Recommended Name of Target Chain 5 UniProt (SwissProt) Entry Name of Target Chain 5 UniProt (SwissProt) Primary ID of Target Chain 5 UniProt (SwissProt) Secondary ID(s) of Target Chain 5 UniProt (SwissProt) Alternative ID(s) of Target Chain 5 UniProt (TrEMBL) Submitted Name of Target Chain 5 UniProt (TrEMBL) Entry Name of Target Chain 5 UniProt (TrEMBL) Primary ID of Target Chain 5 UniProt (TrEMBL) Secondary ID(s) of Target Chain 5 UniProt (TrEMBL) Alternative ID(s) of Target Chain 5 BindingDB Target Chain Sequence 6 PDB ID(s) of Target Chain 6 UniProt (SwissProt) Recommended Name of Target Chain 6 UniProt (SwissProt) Entry Name of Target Chain 6 UniProt (SwissProt) Primary ID of Target Chain 6 UniProt (SwissProt) Secondary ID(s) of Target Chain 6 UniProt (SwissProt) Alternative ID(s) of Target Chain 6 UniProt (TrEMBL) Submitted Name of Target Chain 6 UniProt (TrEMBL) Entry Name of Target Chain 6 UniProt (TrEMBL) Primary ID of Target Chain 6 UniProt (TrEMBL) Secondary ID(s) of Target Chain 6 UniProt (TrEMBL) Alternative ID(s) of Target Chain 6 BindingDB Target Chain Sequence 7 PDB ID(s) of Target Chain 7 UniProt (SwissProt) Recommended Name of Target Chain 7 UniProt (SwissProt) Entry Name of Target Chain 7 UniProt (SwissProt) Primary ID of Target Chain 7 UniProt (SwissProt) Secondary ID(s) of Target Chain 7 UniProt (SwissProt) Alternative ID(s) of Target Chain 7 UniProt (TrEMBL) Submitted Name of Target Chain 7 UniProt (TrEMBL) Entry Name of Target Chain 7 UniProt (TrEMBL) Primary ID of Target Chain 7 UniProt (TrEMBL) Secondary ID(s) of Target Chain 7 UniProt (TrEMBL) Alternative ID(s) of Target Chain 7 BindingDB Target Chain Sequence 8 PDB ID(s) of Target Chain 8 UniProt (SwissProt) Recommended Name of Target Chain 8 UniProt (SwissProt) Entry Name of Target Chain 8 UniProt (SwissProt) Primary ID of Target Chain 8 UniProt (SwissProt) Secondary ID(s) of Target Chain 8 UniProt (SwissProt) Alternative ID(s) of Target Chain 8 UniProt (TrEMBL) Submitted Name of Target Chain 8 UniProt (TrEMBL) Entry Name of Target Chain 8 UniProt (TrEMBL) Primary ID of Target Chain 8 UniProt (TrEMBL) Secondary ID(s) of Target Chain 8 UniProt (TrEMBL) Alternative ID(s) of Target Chain 8 BindingDB Target Chain Sequence 9 PDB ID(s) of Target Chain 9 UniProt (SwissProt) Recommended Name of Target Chain 9 UniProt (SwissProt) Entry Name of Target Chain 9 UniProt (SwissProt) Primary ID of Target Chain 9 UniProt (SwissProt) Secondary ID(s) of Target Chain 9 UniProt (SwissProt) Alternative ID(s) of Target Chain 9 UniProt (TrEMBL) Submitted Name of Target Chain 9 UniProt (TrEMBL) Entry Name of Target Chain 9 UniProt (TrEMBL) Primary ID of Target Chain 9 UniProt (TrEMBL) Secondary ID(s) of Target Chain 9 UniProt (TrEMBL) Alternative ID(s) of Target Chain 9 BindingDB Target Chain Sequence 10 PDB ID(s) of Target Chain 10 UniProt (SwissProt) Recommended Name of Target Chain 10 UniProt (SwissProt) Entry Name of Target Chain 10 UniProt (SwissProt) Primary ID of Target Chain 10 UniProt (SwissProt) Secondary ID(s) of Target Chain 10 UniProt (SwissProt) Alternative ID(s) of Target Chain 10 UniProt (TrEMBL) Submitted Name of Target Chain 10 UniProt (TrEMBL) Entry Name of Target Chain 10 UniProt (TrEMBL) Primary ID of Target Chain 10 UniProt (TrEMBL) Secondary ID(s) of Target Chain 10 UniProt (TrEMBL) Alternative ID(s) of Target Chain 10 BindingDB Target Chain Sequence 11 PDB ID(s) of Target Chain 11 UniProt (SwissProt) Recommended Name of Target Chain 11 UniProt (SwissProt) Entry Name of Target Chain 11 UniProt (SwissProt) Primary ID of Target Chain 11 UniProt (SwissProt) Secondary ID(s) of Target Chain 11 UniProt (SwissProt) Alternative ID(s) of Target Chain 11 UniProt (TrEMBL) Submitted Name of Target Chain 11 UniProt (TrEMBL) Entry Name of Target Chain 11 UniProt (TrEMBL) Primary ID of Target Chain 11 UniProt (TrEMBL) Secondary ID(s) of Target Chain 11 UniProt (TrEMBL) Alternative ID(s) of Target Chain 11 BindingDB Target Chain Sequence 12 PDB ID(s) of Target Chain 12 UniProt (SwissProt) Recommended Name of Target Chain 12 UniProt (SwissProt) Entry Name of Target Chain 12 UniProt (SwissProt) Primary ID of Target Chain 12 UniProt (SwissProt) Secondary ID(s) of Target Chain 12 UniProt (SwissProt) Alternative ID(s) of Target Chain 12 UniProt (TrEMBL) Submitted Name of Target Chain 12 UniProt (TrEMBL) Entry Name of Target Chain 12 UniProt (TrEMBL) Primary ID of Target Chain 12 UniProt (TrEMBL) Secondary ID(s) of Target Chain 12 UniProt (TrEMBL) Alternative ID(s) of Target Chain 12 BindingDB Target Chain Sequence 13 PDB ID(s) of Target Chain 13 UniProt (SwissProt) Recommended Name of Target Chain 13 UniProt (SwissProt) Entry Name of Target Chain 13 UniProt (SwissProt) Primary ID of Target Chain 13 UniProt (SwissProt) Secondary ID(s) of Target Chain 13 UniProt (SwissProt) Alternative ID(s) of Target Chain 13 UniProt (TrEMBL) Submitted Name of Target Chain 13 UniProt (TrEMBL) Entry Name of Target Chain 13 UniProt (TrEMBL) Primary ID of Target Chain 13 UniProt (TrEMBL) Secondary ID(s) of Target Chain 13 UniProt (TrEMBL) Alternative ID(s) of Target Chain 13 BindingDB Target Chain Sequence 14 PDB ID(s) of Target Chain 14 UniProt (SwissProt) Recommended Name of Target Chain 14 UniProt (SwissProt) Entry Name of Target Chain 14 UniProt (SwissProt) Primary ID of Target Chain 14 UniProt (SwissProt) Secondary ID(s) of Target Chain 14 UniProt (SwissProt) Alternative ID(s) of Target Chain 14 UniProt (TrEMBL) Submitted Name of Target Chain 14 UniProt (TrEMBL) Entry Name of Target Chain 14 UniProt (TrEMBL) Primary ID of Target Chain 14 UniProt (TrEMBL) Secondary ID(s) of Target Chain 14 UniProt (TrEMBL) Alternative ID(s) of Target Chain 14 BindingDB Target Chain Sequence 15 PDB ID(s) of Target Chain 15 UniProt (SwissProt) Recommended Name of Target Chain 15 UniProt (SwissProt) Entry Name of Target Chain 15 UniProt (SwissProt) Primary ID of Target Chain 15 UniProt (SwissProt) Secondary ID(s) of Target Chain 15 UniProt (SwissProt) Alternative ID(s) of Target Chain 15 UniProt (TrEMBL) Submitted Name of Target Chain 15 UniProt (TrEMBL) Entry Name of Target Chain 15 UniProt (TrEMBL) Primary ID of Target Chain 15 UniProt (TrEMBL) Secondary ID(s) of Target Chain 15 UniProt (TrEMBL) Alternative ID(s) of Target Chain 15 BindingDB Target Chain Sequence 16 PDB ID(s) of Target Chain 16 UniProt (SwissProt) Recommended Name of Target Chain 16 UniProt (SwissProt) Entry Name of Target Chain 16 UniProt (SwissProt) Primary ID of Target Chain 16 UniProt (SwissProt) Secondary ID(s) of Target Chain 16 UniProt (SwissProt) Alternative ID(s) of Target Chain 16 UniProt (TrEMBL) Submitted Name of Target Chain 16 UniProt (TrEMBL) Entry Name of Target Chain 16 UniProt (TrEMBL) Primary ID of Target Chain 16 UniProt (TrEMBL) Secondary ID(s) of Target Chain 16 UniProt (TrEMBL) Alternative ID(s) of Target Chain 16 BindingDB Target Chain Sequence 17 PDB ID(s) of Target Chain 17 UniProt (SwissProt) Recommended Name of Target Chain 17 UniProt (SwissProt) Entry Name of Target Chain 17 UniProt (SwissProt) Primary ID of Target Chain 17 UniProt (SwissProt) Secondary ID(s) of Target Chain 17 UniProt (SwissProt) Alternative ID(s) of Target Chain 17 UniProt (TrEMBL) Submitted Name of Target Chain 17 UniProt (TrEMBL) Entry Name of Target Chain 17 UniProt (TrEMBL) Primary ID of Target Chain 17 UniProt (TrEMBL) Secondary ID(s) of Target Chain 17 UniProt (TrEMBL) Alternative ID(s) of Target Chain 17 BindingDB Target Chain Sequence 18 PDB ID(s) of Target Chain 18 UniProt (SwissProt) Recommended Name of Target Chain 18 UniProt (SwissProt) Entry Name of Target Chain 18 UniProt (SwissProt) Primary ID of Target Chain 18 UniProt (SwissProt) Secondary ID(s) of Target Chain 18 UniProt (SwissProt) Alternative ID(s) of Target Chain 18 UniProt (TrEMBL) Submitted Name of Target Chain 18 UniProt (TrEMBL) Entry Name of Target Chain 18 UniProt (TrEMBL) Primary ID of Target Chain 18 UniProt (TrEMBL) Secondary ID(s) of Target Chain 18 UniProt (TrEMBL) Alternative ID(s) of Target Chain 18 BindingDB Target Chain Sequence 19 PDB ID(s) of Target Chain 19 UniProt (SwissProt) Recommended Name of Target Chain 19 UniProt (SwissProt) Entry Name of Target Chain 19 UniProt (SwissProt) Primary ID of Target Chain 19 UniProt (SwissProt) Secondary ID(s) of Target Chain 19 UniProt (SwissProt) Alternative ID(s) of Target Chain 19 UniProt (TrEMBL) Submitted Name of Target Chain 19 UniProt (TrEMBL) Entry Name of Target Chain 19 UniProt (TrEMBL) Primary ID of Target Chain 19 UniProt (TrEMBL) Secondary ID(s) of Target Chain 19 UniProt (TrEMBL) Alternative ID(s) of Target Chain 19 BindingDB Target Chain Sequence 20 PDB ID(s) of Target Chain 20 UniProt (SwissProt) Recommended Name of Target Chain 20 UniProt (SwissProt) Entry Name of Target Chain 20 UniProt (SwissProt) Primary ID of Target Chain 20 UniProt (SwissProt) Secondary ID(s) of Target Chain 20 UniProt (SwissProt) Alternative ID(s) of Target Chain 20 UniProt (TrEMBL) Submitted Name of Target Chain 20 UniProt (TrEMBL) Entry Name of Target Chain 20 UniProt (TrEMBL) Primary ID of Target Chain 20 UniProt (TrEMBL) Secondary ID(s) of Target Chain 20 UniProt (TrEMBL) Alternative ID(s) of Target Chain 20 BindingDB Target Chain Sequence 21 PDB ID(s) of Target Chain 21 UniProt (SwissProt) Recommended Name of Target Chain 21 UniProt (SwissProt) Entry Name of Target Chain 21 UniProt (SwissProt) Primary ID of Target Chain 21 UniProt (SwissProt) Secondary ID(s) of Target Chain 21 UniProt (SwissProt) Alternative ID(s) of Target Chain 21 UniProt (TrEMBL) Submitted Name of Target Chain 21 UniProt (TrEMBL) Entry Name of Target Chain 21 UniProt (TrEMBL) Primary ID of Target Chain 21 UniProt (TrEMBL) Secondary ID(s) of Target Chain 21 UniProt (TrEMBL) Alternative ID(s) of Target Chain 21 BindingDB Target Chain Sequence 22 PDB ID(s) of Target Chain 22 UniProt (SwissProt) Recommended Name of Target Chain 22 UniProt (SwissProt) Entry Name of Target Chain 22 UniProt (SwissProt) Primary ID of Target Chain 22 UniProt (SwissProt) Secondary ID(s) of Target Chain 22 UniProt (SwissProt) Alternative ID(s) of Target Chain 22 UniProt (TrEMBL) Submitted Name of Target Chain 22 UniProt (TrEMBL) Entry Name of Target Chain 22 UniProt (TrEMBL) Primary ID of Target Chain 22 UniProt (TrEMBL) Secondary ID(s) of Target Chain 22 UniProt (TrEMBL) Alternative ID(s) of Target Chain 22 BindingDB Target Chain Sequence 23 PDB ID(s) of Target Chain 23 UniProt (SwissProt) Recommended Name of Target Chain 23 UniProt (SwissProt) Entry Name of Target Chain 23 UniProt (SwissProt) Primary ID of Target Chain 23 UniProt (SwissProt) Secondary ID(s) of Target Chain 23 UniProt (SwissProt) Alternative ID(s) of Target Chain 23 UniProt (TrEMBL) Submitted Name of Target Chain 23 UniProt (TrEMBL) Entry Name of Target Chain 23 UniProt (TrEMBL) Primary ID of Target Chain 23 UniProt (TrEMBL) Secondary ID(s) of Target Chain 23 UniProt (TrEMBL) Alternative ID(s) of Target Chain 23 BindingDB Target Chain Sequence 24 PDB ID(s) of Target Chain 24 UniProt (SwissProt) Recommended Name of Target Chain 24 UniProt (SwissProt) Entry Name of Target Chain 24 UniProt (SwissProt) Primary ID of Target Chain 24 UniProt (SwissProt) Secondary ID(s) of Target Chain 24 UniProt (SwissProt) Alternative ID(s) of Target Chain 24 UniProt (TrEMBL) Submitted Name of Target Chain 24 UniProt (TrEMBL) Entry Name of Target Chain 24 UniProt (TrEMBL) Primary ID of Target Chain 24 UniProt (TrEMBL) Secondary ID(s) of Target Chain 24 UniProt (TrEMBL) Alternative ID(s) of Target Chain 24 BindingDB Target Chain Sequence 25 PDB ID(s) of Target Chain 25 UniProt (SwissProt) Recommended Name of Target Chain 25 UniProt (SwissProt) Entry Name of Target Chain 25 UniProt (SwissProt) Primary ID of Target Chain 25 UniProt (SwissProt) Secondary ID(s) of Target Chain 25 UniProt (SwissProt) Alternative ID(s) of Target Chain 25 UniProt (TrEMBL) Submitted Name of Target Chain 25 UniProt (TrEMBL) Entry Name of Target Chain 25 UniProt (TrEMBL) Primary ID of Target Chain 25 UniProt (TrEMBL) Secondary ID(s) of Target Chain 25 UniProt (TrEMBL) Alternative ID(s) of Target Chain 25 BindingDB Target Chain Sequence 26 PDB ID(s) of Target Chain 26 UniProt (SwissProt) Recommended Name of Target Chain 26 UniProt (SwissProt) Entry Name of Target Chain 26 UniProt (SwissProt) Primary ID of Target Chain 26 UniProt (SwissProt) Secondary ID(s) of Target Chain 26 UniProt (SwissProt) Alternative ID(s) of Target Chain 26 UniProt (TrEMBL) Submitted Name of Target Chain 26 UniProt (TrEMBL) Entry Name of Target Chain 26 UniProt (TrEMBL) Primary ID of Target Chain 26 UniProt (TrEMBL) Secondary ID(s) of Target Chain 26 UniProt (TrEMBL) Alternative ID(s) of Target Chain 26 BindingDB Target Chain Sequence 27 PDB ID(s) of Target Chain 27 UniProt (SwissProt) Recommended Name of Target Chain 27 UniProt (SwissProt) Entry Name of Target Chain 27 UniProt (SwissProt) Primary ID of Target Chain 27 UniProt (SwissProt) Secondary ID(s) of Target Chain 27 UniProt (SwissProt) Alternative ID(s) of Target Chain 27 UniProt (TrEMBL) Submitted Name of Target Chain 27 UniProt (TrEMBL) Entry Name of Target Chain 27 UniProt (TrEMBL) Primary ID of Target Chain 27 UniProt (TrEMBL) Secondary ID(s) of Target Chain 27 UniProt (TrEMBL) Alternative ID(s) of Target Chain 27 BindingDB Target Chain Sequence 28 PDB ID(s) of Target Chain 28 UniProt (SwissProt) Recommended Name of Target Chain 28 UniProt (SwissProt) Entry Name of Target Chain 28 UniProt (SwissProt) Primary ID of Target Chain 28 UniProt (SwissProt) Secondary ID(s) of Target Chain 28 UniProt (SwissProt) Alternative ID(s) of Target Chain 28 UniProt (TrEMBL) Submitted Name of Target Chain 28 UniProt (TrEMBL) Entry Name of Target Chain 28 UniProt (TrEMBL) Primary ID of Target Chain 28 UniProt (TrEMBL) Secondary ID(s) of Target Chain 28 UniProt (TrEMBL) Alternative ID(s) of Target Chain 28 BindingDB Target Chain Sequence 29 PDB ID(s) of Target Chain 29 UniProt (SwissProt) Recommended Name of Target Chain 29 UniProt (SwissProt) Entry Name of Target Chain 29 UniProt (SwissProt) Primary ID of Target Chain 29 UniProt (SwissProt) Secondary ID(s) of Target Chain 29 UniProt (SwissProt) Alternative ID(s) of Target Chain 29 UniProt (TrEMBL) Submitted Name of Target Chain 29 UniProt (TrEMBL) Entry Name of Target Chain 29 UniProt (TrEMBL) Primary ID of Target Chain 29 UniProt (TrEMBL) Secondary ID(s) of Target Chain 29 UniProt (TrEMBL) Alternative ID(s) of Target Chain 29 BindingDB Target Chain Sequence 30 PDB ID(s) of Target Chain 30 UniProt (SwissProt) Recommended Name of Target Chain 30 UniProt (SwissProt) Entry Name of Target Chain 30 UniProt (SwissProt) Primary ID of Target Chain 30 UniProt (SwissProt) Secondary ID(s) of Target Chain 30 UniProt (SwissProt) Alternative ID(s) of Target Chain 30 UniProt (TrEMBL) Submitted Name of Target Chain 30 UniProt (TrEMBL) Entry Name of Target Chain 30 UniProt (TrEMBL) Primary ID of Target Chain 30 UniProt (TrEMBL) Secondary ID(s) of Target Chain 30 UniProt (TrEMBL) Alternative ID(s) of Target Chain 30 BindingDB Target Chain Sequence 31 PDB ID(s) of Target Chain 31 UniProt (SwissProt) Recommended Name of Target Chain 31 UniProt (SwissProt) Entry Name of Target Chain 31 UniProt (SwissProt) Primary ID of Target Chain 31 UniProt (SwissProt) Secondary ID(s) of Target Chain 31 UniProt (SwissProt) Alternative ID(s) of Target Chain 31 UniProt (TrEMBL) Submitted Name of Target Chain 31 UniProt (TrEMBL) Entry Name of Target Chain 31 UniProt (TrEMBL) Primary ID of Target Chain 31 UniProt (TrEMBL) Secondary ID(s) of Target Chain 31 UniProt (TrEMBL) Alternative ID(s) of Target Chain 31 BindingDB Target Chain Sequence 32 PDB ID(s) of Target Chain 32 UniProt (SwissProt) Recommended Name of Target Chain 32 UniProt (SwissProt) Entry Name of Target Chain 32 UniProt (SwissProt) Primary ID of Target Chain 32 UniProt (SwissProt) Secondary ID(s) of Target Chain 32 UniProt (SwissProt) Alternative ID(s) of Target Chain 32 UniProt (TrEMBL) Submitted Name of Target Chain 32 UniProt (TrEMBL) Entry Name of Target Chain 32 UniProt (TrEMBL) Primary ID of Target Chain 32 UniProt (TrEMBL) Secondary ID(s) of Target Chain 32 UniProt (TrEMBL) Alternative ID(s) of Target Chain 32 BindingDB Target Chain Sequence 33 PDB ID(s) of Target Chain 33 UniProt (SwissProt) Recommended Name of Target Chain 33 UniProt (SwissProt) Entry Name of Target Chain 33 UniProt (SwissProt) Primary ID of Target Chain 33 UniProt (SwissProt) Secondary ID(s) of Target Chain 33 UniProt (SwissProt) Alternative ID(s) of Target Chain 33 UniProt (TrEMBL) Submitted Name of Target Chain 33 UniProt (TrEMBL) Entry Name of Target Chain 33 UniProt (TrEMBL) Primary ID of Target Chain 33 UniProt (TrEMBL) Secondary ID(s) of Target Chain 33 UniProt (TrEMBL) Alternative ID(s) of Target Chain 33 BindingDB Target Chain Sequence 34 PDB ID(s) of Target Chain 34 UniProt (SwissProt) Recommended Name of Target Chain 34 UniProt (SwissProt) Entry Name of Target Chain 34 UniProt (SwissProt) Primary ID of Target Chain 34 UniProt (SwissProt) Secondary ID(s) of Target Chain 34 UniProt (SwissProt) Alternative ID(s) of Target Chain 34 UniProt (TrEMBL) Submitted Name of Target Chain 34 UniProt (TrEMBL) Entry Name of Target Chain 34 UniProt (TrEMBL) Primary ID of Target Chain 34 UniProt (TrEMBL) Secondary ID(s) of Target Chain 34 UniProt (TrEMBL) Alternative ID(s) of Target Chain 34 BindingDB Target Chain Sequence 35 PDB ID(s) of Target Chain 35 UniProt (SwissProt) Recommended Name of Target Chain 35 UniProt (SwissProt) Entry Name of Target Chain 35 UniProt (SwissProt) Primary ID of Target Chain 35 UniProt (SwissProt) Secondary ID(s) of Target Chain 35 UniProt (SwissProt) Alternative ID(s) of Target Chain 35 UniProt (TrEMBL) Submitted Name of Target Chain 35 UniProt (TrEMBL) Entry Name of Target Chain 35 UniProt (TrEMBL) Primary ID of Target Chain 35 UniProt (TrEMBL) Secondary ID(s) of Target Chain 35 UniProt (TrEMBL) Alternative ID(s) of Target Chain 35 BindingDB Target Chain Sequence 36 PDB ID(s) of Target Chain 36 UniProt (SwissProt) Recommended Name of Target Chain 36 UniProt (SwissProt) Entry Name of Target Chain 36 UniProt (SwissProt) Primary ID of Target Chain 36 UniProt (SwissProt) Secondary ID(s) of Target Chain 36 UniProt (SwissProt) Alternative ID(s) of Target Chain 36 UniProt (TrEMBL) Submitted Name of Target Chain 36 UniProt (TrEMBL) Entry Name of Target Chain 36 UniProt (TrEMBL) Primary ID of Target Chain 36 UniProt (TrEMBL) Secondary ID(s) of Target Chain 36 UniProt (TrEMBL) Alternative ID(s) of Target Chain 36 BindingDB Target Chain Sequence 37 PDB ID(s) of Target Chain 37 UniProt (SwissProt) Recommended Name of Target Chain 37 UniProt (SwissProt) Entry Name of Target Chain 37 UniProt (SwissProt) Primary ID of Target Chain 37 UniProt (SwissProt) Secondary ID(s) of Target Chain 37 UniProt (SwissProt) Alternative ID(s) of Target Chain 37 UniProt (TrEMBL) Submitted Name of Target Chain 37 UniProt (TrEMBL) Entry Name of Target Chain 37 UniProt (TrEMBL) Primary ID of Target Chain 37 UniProt (TrEMBL) Secondary ID(s) of Target Chain 37 UniProt (TrEMBL) Alternative ID(s) of Target Chain 37 BindingDB Target Chain Sequence 38 PDB ID(s) of Target Chain 38 UniProt (SwissProt) Recommended Name of Target Chain 38 UniProt (SwissProt) Entry Name of Target Chain 38 UniProt (SwissProt) Primary ID of Target Chain 38 UniProt (SwissProt) Secondary ID(s) of Target Chain 38 UniProt (SwissProt) Alternative ID(s) of Target Chain 38 UniProt (TrEMBL) Submitted Name of Target Chain 38 UniProt (TrEMBL) Entry Name of Target Chain 38 UniProt (TrEMBL) Primary ID of Target Chain 38 UniProt (TrEMBL) Secondary ID(s) of Target Chain 38 UniProt (TrEMBL) Alternative ID(s) of Target Chain 38 BindingDB Target Chain Sequence 39 PDB ID(s) of Target Chain 39 UniProt (SwissProt) Recommended Name of Target Chain 39 UniProt (SwissProt) Entry Name of Target Chain 39 UniProt (SwissProt) Primary ID of Target Chain 39 UniProt (SwissProt) Secondary ID(s) of Target Chain 39 UniProt (SwissProt) Alternative ID(s) of Target Chain 39 UniProt (TrEMBL) Submitted Name of Target Chain 39 UniProt (TrEMBL) Entry Name of Target Chain 39 UniProt (TrEMBL) Primary ID of Target Chain 39 UniProt (TrEMBL) Secondary ID(s) of Target Chain 39 UniProt (TrEMBL) Alternative ID(s) of Target Chain 39 BindingDB Target Chain Sequence 40 PDB ID(s) of Target Chain 40 UniProt (SwissProt) Recommended Name of Target Chain 40 UniProt (SwissProt) Entry Name of Target Chain 40 UniProt (SwissProt) Primary ID of Target Chain 40 UniProt (SwissProt) Secondary ID(s) of Target Chain 40 UniProt (SwissProt) Alternative ID(s) of Target Chain 40 UniProt (TrEMBL) Submitted Name of Target Chain 40 UniProt (TrEMBL) Entry Name of Target Chain 40 UniProt (TrEMBL) Primary ID of Target Chain 40 UniProt (TrEMBL) Secondary ID(s) of Target Chain 40 UniProt (TrEMBL) Alternative ID(s) of Target Chain 40 BindingDB Target Chain Sequence 41 PDB ID(s) of Target Chain 41 UniProt (SwissProt) Recommended Name of Target Chain 41 UniProt (SwissProt) Entry Name of Target Chain 41 UniProt (SwissProt) Primary ID of Target Chain 41 UniProt (SwissProt) Secondary ID(s) of Target Chain 41 UniProt (SwissProt) Alternative ID(s) of Target Chain 41 UniProt (TrEMBL) Submitted Name of Target Chain 41 UniProt (TrEMBL) Entry Name of Target Chain 41 UniProt (TrEMBL) Primary ID of Target Chain 41 UniProt (TrEMBL) Secondary ID(s) of Target Chain 41 UniProt (TrEMBL) Alternative ID(s) of Target Chain 41 BindingDB Target Chain Sequence 42 PDB ID(s) of Target Chain 42 UniProt (SwissProt) Recommended Name of Target Chain 42 UniProt (SwissProt) Entry Name of Target Chain 42 UniProt (SwissProt) Primary ID of Target Chain 42 UniProt (SwissProt) Secondary ID(s) of Target Chain 42 UniProt (SwissProt) Alternative ID(s) of Target Chain 42 UniProt (TrEMBL) Submitted Name of Target Chain 42 UniProt (TrEMBL) Entry Name of Target Chain 42 UniProt (TrEMBL) Primary ID of Target Chain 42 UniProt (TrEMBL) Secondary ID(s) of Target Chain 42 UniProt (TrEMBL) Alternative ID(s) of Target Chain 42 BindingDB Target Chain Sequence 43 PDB ID(s) of Target Chain 43 UniProt (SwissProt) Recommended Name of Target Chain 43 UniProt (SwissProt) Entry Name of Target Chain 43 UniProt (SwissProt) Primary ID of Target Chain 43 UniProt (SwissProt) Secondary ID(s) of Target Chain 43 UniProt (SwissProt) Alternative ID(s) of Target Chain 43 UniProt (TrEMBL) Submitted Name of Target Chain 43 UniProt (TrEMBL) Entry Name of Target Chain 43 UniProt (TrEMBL) Primary ID of Target Chain 43 UniProt (TrEMBL) Secondary ID(s) of Target Chain 43 UniProt (TrEMBL) Alternative ID(s) of Target Chain 43 BindingDB Target Chain Sequence 44 PDB ID(s) of Target Chain 44 UniProt (SwissProt) Recommended Name of Target Chain 44 UniProt (SwissProt) Entry Name of Target Chain 44 UniProt (SwissProt) Primary ID of Target Chain 44 UniProt (SwissProt) Secondary ID(s) of Target Chain 44 UniProt (SwissProt) Alternative ID(s) of Target Chain 44 UniProt (TrEMBL) Submitted Name of Target Chain 44 UniProt (TrEMBL) Entry Name of Target Chain 44 UniProt (TrEMBL) Primary ID of Target Chain 44 UniProt (TrEMBL) Secondary ID(s) of Target Chain 44 UniProt (TrEMBL) Alternative ID(s) of Target Chain 44 BindingDB Target Chain Sequence 45 PDB ID(s) of Target Chain 45 UniProt (SwissProt) Recommended Name of Target Chain 45 UniProt (SwissProt) Entry Name of Target Chain 45 UniProt (SwissProt) Primary ID of Target Chain 45 UniProt (SwissProt) Secondary ID(s) of Target Chain 45 UniProt (SwissProt) Alternative ID(s) of Target Chain 45 UniProt (TrEMBL) Submitted Name of Target Chain 45 UniProt (TrEMBL) Entry Name of Target Chain 45 UniProt (TrEMBL) Primary ID of Target Chain 45 UniProt (TrEMBL) Secondary ID(s) of Target Chain 45 UniProt (TrEMBL) Alternative ID(s) of Target Chain 45 BindingDB Target Chain Sequence 46 PDB ID(s) of Target Chain 46 UniProt (SwissProt) Recommended Name of Target Chain 46 UniProt (SwissProt) Entry Name of Target Chain 46 UniProt (SwissProt) Primary ID of Target Chain 46 UniProt (SwissProt) Secondary ID(s) of Target Chain 46 UniProt (SwissProt) Alternative ID(s) of Target Chain 46 UniProt (TrEMBL) Submitted Name of Target Chain 46 UniProt (TrEMBL) Entry Name of Target Chain 46 UniProt (TrEMBL) Primary ID of Target Chain 46 UniProt (TrEMBL) Secondary ID(s) of Target Chain 46 UniProt (TrEMBL) Alternative ID(s) of Target Chain 46 BindingDB Target Chain Sequence 47 PDB ID(s) of Target Chain 47 UniProt (SwissProt) Recommended Name of Target Chain 47 UniProt (SwissProt) Entry Name of Target Chain 47 UniProt (SwissProt) Primary ID of Target Chain 47 UniProt (SwissProt) Secondary ID(s) of Target Chain 47 UniProt (SwissProt) Alternative ID(s) of Target Chain 47 UniProt (TrEMBL) Submitted Name of Target Chain 47 UniProt (TrEMBL) Entry Name of Target Chain 47 UniProt (TrEMBL) Primary ID of Target Chain 47 UniProt (TrEMBL) Secondary ID(s) of Target Chain 47 UniProt (TrEMBL) Alternative ID(s) of Target Chain 47 BindingDB Target Chain Sequence 48 PDB ID(s) of Target Chain 48 UniProt (SwissProt) Recommended Name of Target Chain 48 UniProt (SwissProt) Entry Name of Target Chain 48 UniProt (SwissProt) Primary ID of Target Chain 48 UniProt (SwissProt) Secondary ID(s) of Target Chain 48 UniProt (SwissProt) Alternative ID(s) of Target Chain 48 UniProt (TrEMBL) Submitted Name of Target Chain 48 UniProt (TrEMBL) Entry Name of Target Chain 48 UniProt (TrEMBL) Primary ID of Target Chain 48 UniProt (TrEMBL) Secondary ID(s) of Target Chain 48 UniProt (TrEMBL) Alternative ID(s) of Target Chain 48 BindingDB Target Chain Sequence 49 PDB ID(s) of Target Chain 49 UniProt (SwissProt) Recommended Name of Target Chain 49 UniProt (SwissProt) Entry Name of Target Chain 49 UniProt (SwissProt) Primary ID of Target Chain 49 UniProt (SwissProt) Secondary ID(s) of Target Chain 49 UniProt (SwissProt) Alternative ID(s) of Target Chain 49 UniProt (TrEMBL) Submitted Name of Target Chain 49 UniProt (TrEMBL) Entry Name of Target Chain 49 UniProt (TrEMBL) Primary ID of Target Chain 49 UniProt (TrEMBL) Secondary ID(s) of Target Chain 49 UniProt (TrEMBL) Alternative ID(s) of Target Chain 49 BindingDB Target Chain Sequence 50 PDB ID(s) of Target Chain 50 UniProt (SwissProt) Recommended Name of Target Chain 50 UniProt (SwissProt) Entry Name of Target Chain 50 UniProt (SwissProt) Primary ID of Target Chain 50 UniProt (SwissProt) Secondary ID(s) of Target Chain 50 UniProt (SwissProt) Alternative ID(s) of Target Chain 50 UniProt (TrEMBL) Submitted Name of Target Chain 50 UniProt (TrEMBL) Entry Name of Target Chain 50 UniProt (TrEMBL) Primary ID of Target Chain 50 UniProt (TrEMBL) Secondary ID(s) of Target Chain 50 UniProt (TrEMBL) Alternative ID(s) of Target Chain 50 51153839 CC(O)(C(=O)N1CCC(Cc2ccccc2)CC1)C(F)(F)F InChI=1S/C16H20F3NO2/c1-15(22,16(17,18)19)14(21)20-9-7-13(8-10-20)11-12-5-3-2-4-6-12/h2-6,13,22H,7-11H2,1H3 PRRDZNDKWXWTAQ-UHFFFAOYSA-N 50472785 CHEMBL311859 Protein-serine/threonine kinase/[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1/2/4, mitochondrial Rattus norvegicus 2160 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472785 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50021424&target=Protein-serine%2Fthreonine+kinase%2F%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+1%2F2%2F4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472785&enzyme=Protein-serine%2Fthreonine+kinase%2F%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+1%2F2%2F4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10852816 433940050 4 MRLARLLRGGTSVRPLCAVPCASRSLASDSASGSGPASESGVPGQVDFYARFSPSPLSMKQFLDFGSVNACEKTSFMFLRQELPVRLANIMKEISLLPDNLLRTPSVQLVQSWYIQSLQELLDFKDKSAEDAKTIYEFTDTVIRIRNRHNDVIPTMAQGVTEYKESFGVDPVTSQNVQYFLDRFYMSRISIRMLLNQHSLLFGGKGSPSHRKHIGSINPNCDVVEVIKDGYENARRLCDLYYVNSPELELEELNAKSPGQPIQVVYVPSHLYHMVFELFKNAMRATMEHHADKGVYPPIQVHVTLGEEDLTVKMSDRGGGVPLRKIDRLFNYMYSTAPRPRVETSRAVPLAGFGYGLPISRLYAQYFQGDLKLYSLEGYGTDAVIYIKALSTESIERLPVYNKAAWKHYRTNHEADDWCVPSREPKDMTTFRSS [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial PDK1_RAT Q63065 MRLFYRLLKQPVPKQIERYSRFSPSPLSIKQFLDFGRDNACEKTSYMFLRKELPVRLANTMREVNLLPDNLLNRPSVGLVQSWYMQSFLELLEYENKSPEDPRVLDNFLHVLINIRNRHNDVVPTMAQGVIEYKEKFGFDPFISSNIQYFLDRFYTNRISFRMLINQHTLLFGGDTNPAHPKHIGSIDPTCNVADVVKDAYETAKMLCEQYYLVAPELEVEEFNAKAPNKPIQVVYVPSHLFHMLFELFKNSMRATVELYEDKKEGYPAVKTLVTLGKEDLSIKISDLGGGVPLRKIDRLFNYMYSTAPRPSLEPTRAAPLAGFGYGLPISRLYARYFQGDLKLYSMEGVGTDAVIYLKALSSESFERLPVFNKSAWRHYKTTPEADDWSNPSSEPRDASKYKAKQDKIKSNKTF Protein-serine/threonine kinase A6IPZ9_RAT A6IPZ9 B5DFI9 MRWFRALLKNASLAGAPKYIEHFSKFSPSPLSMKQFLDFGSSNACEKTSFTFLRQELPVRLANIMKEINLLPDRVLSTPSVQLVQSWYVQSLLDIMEFLDKDPEDHRTLSQFTDALVTIRNRHNDVVPTMAQGVLEYKDTYGDDPVSNQNIQYFLDRFYLSRISIRMLINQHTLIFDGSTNPAHPKHIGSIDPNCSVSDVVKDAYDMAKLLCDKYYMASPDLEIQEVNATNATQPIHMVYVPSHLYHMLFELFKNAMRATVESHESSLTLPPIKIMVALGEEDLSIKMSDRGGGVPLRKIERLFSYMYSTAPTPQPGTGGTPLAGFGYGLPISRLYAKYFQGDLQLFSMEGFGTDAVIYLKALSTDSVERLPVYNKSAWRHYQTIQEAGDWCVPSTEPKNTSTYRVS 3CRL,3CRK,1JM6,6LIO,6LIN,6LIL [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial PDK2_RAT Q64536 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153840 [O-]C(=O)C(Cl)Cl InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)/p-1 JXTHNDFMNIQAHM-UHFFFAOYSA-M 50177027 CPC-211::Ceresine::DCA::Sodium dichloroacetate [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus >1000000 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50177027 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50177027&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 25975 346549223 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153841 CC(Cl)C(=O)N1CCC(Cc2ccccc2)CC1 InChI=1S/C15H20ClNO/c1-12(16)15(18)17-9-7-14(8-10-17)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3 CQLIJZZEHQCIPO-UHFFFAOYSA-N 50472786 CHEMBL79731 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 2600 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472786 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472786&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10659371 433940051 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153842 CCCC1CCN(CC1)C(=O)[C@](C)(O)C(F)(F)F |r| InChI=1S/C12H20F3NO2/c1-3-4-9-5-7-16(8-6-9)10(17)11(2,18)12(13,14)15/h9,18H,3-8H2,1-2H3 VHXXBZAIKAGAMA-UHFFFAOYSA-N 50472787 CHEMBL1907670 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 75000 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472787 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472787&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10825720 433940052 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153843 C[C@@H]1CN(CCN1Cc1ccccc1)C(=O)[C@@](C)(O)C(F)(F)F InChI=1S/C16H21F3N2O2/c1-12-10-21(14(22)15(2,23)16(17,18)19)9-8-20(12)11-13-6-4-3-5-7-13/h3-7,12,23H,8-11H2,1-2H3 KFFMAMYSLJCGIW-UHFFFAOYSA-N 50472788 CHEMBL84211 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus >1000 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472788 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472788&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10687855 433940053 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153844 C[C@@](O)(C(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1)C(F)(F)F InChI=1S/C14H17F3N2O4S/c1-13(21,14(15,16)17)12(20)18-7-9-19(10-8-18)24(22,23)11-5-3-2-4-6-11/h2-6,21H,7-10H2,1H3 RWPWKRVUGPIRMZ-UHFFFAOYSA-N 50472789 CHEMBL315234 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 5560 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472789 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472789&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 44461988 433940054 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153845 COc1cc(cc(OC)c1OC)C(=O)N1CCN(C[C@H]1C)C(=O)[C@@](C)(O)C(F)(F)F InChI=1S/C19H25F3N2O6/c1-11-10-23(17(26)18(2,27)19(20,21)22)6-7-24(11)16(25)12-8-13(28-3)15(30-5)14(9-12)29-4/h8-9,11,27H,6-7,10H2,1-5H3 UGXPDIGRDIXCGO-UHFFFAOYSA-N 50472790 CHEMBL309697 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 40 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472790 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472790&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10788941 433940055 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153846 C[C@@](O)(C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)C#N)C(F)(F)F InChI=1S/C16H16F3N3O3/c1-15(25,16(17,18)19)14(24)22-8-6-21(7-9-22)13(23)12-4-2-11(10-20)3-5-12/h2-5,25H,6-9H2,1H3 XHARJGLVZRCTDV-UHFFFAOYSA-N 50472317 CHEMBL83151 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 6700 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472317 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472317&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10689528 433939582 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153847 C[C@@H]1CN(CCN1c1cc(ccn1)[N+]([O-])=O)C(=O)[C@@](C)(O)C(F)(F)F InChI=1S/C14H17F3N4O4/c1-9-8-19(12(22)13(2,23)14(15,16)17)5-6-20(9)11-7-10(21(24)25)3-4-18-11/h3-4,7,9,23H,5-6,8H2,1-2H3 WUSICTYENPMDNN-UHFFFAOYSA-N 50472791 CHEMBL83771 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 112 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472791 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472791&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10713649 433940056 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153848 C[C@@H]1CN([C@@H](C)CN1C(=O)c1ccc(cc1)C#N)C(=O)[C@@](C)(O)C(F)(F)F |r| 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 IWFSHKKFDSWNLZ-UHFFFAOYSA-N 50236533 CHEMBL316388 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 16 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50236533 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50236533&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 6102761 385213215 CHEMBL316388 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153849 CC(=O)N1CCC(Cc2ccccc2)CC1 InChI=1S/C14H19NO/c1-12(16)15-9-7-14(8-10-15)11-13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3 BKQOKWBHIBQLIH-UHFFFAOYSA-N 50472792 CHEMBL80049 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 74000 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472792 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472792&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 299608 433940057 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153850 C[C@@H]1CN([C@@H](C)CN1C(=O)OCc1ccccc1)C(=O)[C@@](C)(O)C(F)(F)F InChI=1S/C18H23F3N2O4/c1-12-10-23(16(25)27-11-14-7-5-4-6-8-14)13(2)9-22(12)15(24)17(3,26)18(19,20)21/h4-8,12-13,26H,9-11H2,1-3H3 KAEADZGLPHVLAV-UHFFFAOYSA-N 50472793 CHEMBL313878 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 14 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472793 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472793&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 44461806 433940058 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153851 C[C@@](O)(C(=O)N1CCCN(CC1)c1cc(Cl)ccn1)C(F)(F)F InChI=1S/C14H17ClF3N3O2/c1-13(23,14(16,17)18)12(22)21-6-2-5-20(7-8-21)11-9-10(15)3-4-19-11/h3-4,9,23H,2,5-8H2,1H3 DADHNNYBOMLQOB-UHFFFAOYSA-N 50472794 CHEMBL84479 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 2590 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472794 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472794&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 44462001 433940059 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153852 CN(C)C(=O)N1CCC(Cc2ccccc2)CC1 InChI=1S/C15H22N2O/c1-16(2)15(18)17-10-8-14(9-11-17)12-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3 MYGHRPMAQATJGP-UHFFFAOYSA-N 50472795 CHEMBL315407 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 416000 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472795 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472795&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 2231312 433940060 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153853 C\N=C(\S)N1CCC(Cc2ccccc2)CC1 InChI=1S/C14H20N2S/c1-15-14(17)16-9-7-13(8-10-16)11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,15,17) FLCZVCSNQTVRTF-UHFFFAOYSA-N 50472796 CHEMBL79494 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 560000 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472796 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472796&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 7942369 433940061 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153854 C[C@@H]1CN(CCN1C(=O)c1ccc(cc1)C(=O)c1ccccc1)C(=O)[C@@](C)(O)C(F)(F)F InChI=1S/C23H23F3N2O4/c1-15-14-27(21(31)22(2,32)23(24,25)26)12-13-28(15)20(30)18-10-8-17(9-11-18)19(29)16-6-4-3-5-7-16/h3-11,15,32H,12-14H2,1-2H3 DOIKJELPDLOURI-UHFFFAOYSA-N 50472797 CHEMBL419846 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 34 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472797 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472797&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10503623 433940062 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153855 CC1CCCCN1C(=O)[C@@](C)(O)C(F)(F)F InChI=1S/C10H16F3NO2/c1-7-5-3-4-6-14(7)8(15)9(2,16)10(11,12)13/h7,16H,3-6H2,1-2H3 SZPPCXAQARQUSS-UHFFFAOYSA-N 50472798 CHEMBL311674 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 2000 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472798 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472798&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10681449 433940063 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153856 ClC(Cl)C(=O)Nc1ccccc1Cl InChI=1S/C8H6Cl3NO/c9-5-3-1-2-4-6(5)12-8(13)7(10)11/h1-4,7H,(H,12,13) JCHZWDQCXBFGAB-UHFFFAOYSA-N 50472799 CHEMBL82585 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 47000 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472799 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472799&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 4620781 433940064 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153857 C[C@@](O)(C(=O)N1CCN(CC1)C(\Oc1ccccc1)=N\C#N)C(F)(F)F InChI=1S/C16H17F3N4O3/c1-15(25,16(17,18)19)13(24)22-7-9-23(10-8-22)14(21-11-20)26-12-5-3-2-4-6-12/h2-6,25H,7-10H2,1H3 HUNACMQVVHOXOO-UHFFFAOYSA-N 50472800 CHEMBL3349327 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 6000 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472800 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472800&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 44461976 433940065 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153858 C[C@@H]1CN(CCN1C(=O)c1ccc(cc1)C(=O)c1ccccc1)C(=O)[C@@](C)(O)C(F)(F)F InChI=1S/C23H23F3N2O4/c1-15-14-27(21(31)22(2,32)23(24,25)26)12-13-28(15)20(30)18-10-8-17(9-11-18)19(29)16-6-4-3-5-7-16/h3-11,15,32H,12-14H2,1-2H3 DOIKJELPDLOURI-UHFFFAOYSA-N 50472797 CHEMBL419846 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 15000 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472797 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472797&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10503623 433940062 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153859 C[C@@](O)(C(=O)N1CCN(CC1)C(=O)c1ccccc1)C(F)(F)F InChI=1S/C15H17F3N2O3/c1-14(23,15(16,17)18)13(22)20-9-7-19(8-10-20)12(21)11-5-3-2-4-6-11/h2-6,23H,7-10H2,1H3 YVFYAVKPTBHZAN-UHFFFAOYSA-N 50472801 CHEMBL313822 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 31700 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472801 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472801&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 44461694 433940066 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153860 C[C@@H]1CN(CCN1C(=O)OCc1ccccc1)C(=O)[C@@](C)(O)C(F)(F)F 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 ZZYMTFSRMGVTHN-UHFFFAOYSA-N 50472310 CHEMBL84231 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 21 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472310 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472310&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10643117 433939575 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153861 C[C@@](O)(C(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12)C(F)(F)F InChI=1S/C19H19F3N2O3/c1-18(27,19(20,21)22)17(26)24-11-9-23(10-12-24)16(25)15-8-4-6-13-5-2-3-7-14(13)15/h2-8,27H,9-12H2,1H3 XXIFFAZFPRMXBQ-UHFFFAOYSA-N 50472802 CHEMBL311896 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 5020 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472802 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472802&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 44461642 433940067 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153862 C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(=O)[C@@](C)(O)C(F)(F)F InChI=1S/C19H27F3N2O4S/c1-13-12-23(16(25)18(5,26)19(20,21)22)10-11-24(13)29(27,28)15-8-6-14(7-9-15)17(2,3)4/h6-9,13,26H,10-12H2,1-5H3 XMILVXPPOUIKMM-UHFFFAOYSA-N 50472803 CHEMBL83502 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 36 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472803 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472803&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10526915 433940068 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153863 C[C@@H]1CN([C@@H](C)CN1C(=O)c1cc(Cl)cc(Cl)c1)C(=O)[C@@](C)(O)C(F)(F)F InChI=1S/C17H19Cl2F3N2O3/c1-9-8-24(15(26)16(3,27)17(20,21)22)10(2)7-23(9)14(25)11-4-12(18)6-13(19)5-11/h4-6,9-10,27H,7-8H2,1-3H3 UWKVXGPFWNKBSA-UHFFFAOYSA-N 50472804 CHEMBL83273 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 3.3 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472804 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472804&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10764933 433940069 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153864 ClC(Cl)(Cl)C(=O)N1CCC(Cc2ccccc2)CC1 InChI=1S/C14H16Cl3NO/c15-14(16,17)13(19)18-8-6-12(7-9-18)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2 ZCUQDQLAEJNCKU-UHFFFAOYSA-N 50472805 CHEMBL83998 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 30000 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472805 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472805&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 5213509 433940070 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153865 C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1)-c1c(C)cc(C)cc1C)C(=O)[C@@](C)(O)C(F)(F)F InChI=1S/C24H29F3N2O4S/c1-15-12-16(2)21(17(3)13-15)19-6-8-20(9-7-19)34(32,33)29-11-10-28(14-18(29)4)22(30)23(5,31)24(25,26)27/h6-9,12-13,18,31H,10-11,14H2,1-5H3 NNAMJJLDNCRDRG-UHFFFAOYSA-N 50472806 CHEMBL84406 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 39 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472806 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472806&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 44461722 433940071 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153866 C[C@@H]1CN(CCN1C(=O)c1ccc(cc1)C#N)C(=O)[C@@](C)(O)C(F)(F)F 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 CQPMMSAANJNLLH-UHFFFAOYSA-N 50472318 CHEMBL304292 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 79 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472318 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472318&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 11726563 433939583 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153867 CNC(=O)N1CCC(Cc2ccccc2)CC1 InChI=1S/C14H20N2O/c1-15-14(17)16-9-7-13(8-10-16)11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,15,17) ZRKQOWGLWASDHM-UHFFFAOYSA-N 50472807 CHEMBL83599 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 22400 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472807 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472807&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10657233 433940072 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153868 C[C@@H]1CN(CCN1C(=O)c1cccc2ccccc12)C(=O)[C@@](C)(O)C(F)(F)F InChI=1S/C20H21F3N2O3/c1-13-12-24(18(27)19(2,28)20(21,22)23)10-11-25(13)17(26)16-9-5-7-14-6-3-4-8-15(14)16/h3-9,13,28H,10-12H2,1-2H3 NABMABOVZOWDOV-UHFFFAOYSA-N 50472808 CHEMBL419665 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 70 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472808 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472808&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 44461617 433940073 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153869 CC(C)(O)C(=O)Nc1ccccc1Cl InChI=1S/C10H12ClNO2/c1-10(2,14)9(13)12-8-6-4-3-5-7(8)11/h3-6,14H,1-2H3,(H,12,13) BEMULIOXEIPWOX-UHFFFAOYSA-N 50472809 CHEMBL420219 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 5000 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472809 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472809&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10798653 433940074 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153870 C[C@@H]1CN(CCN1\C(Oc1ccccc1)=N\C#N)C(=O)[C@@](C)(O)C(F)(F)F InChI=1S/C17H19F3N4O3/c1-12-10-23(14(25)16(2,26)17(18,19)20)8-9-24(12)15(22-11-21)27-13-6-4-3-5-7-13/h3-7,12,26H,8-10H2,1-2H3 PEMGMDPLDPXGEZ-UHFFFAOYSA-N 50472810 CHEMBL3349326 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 49 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472810 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472810&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10810039 433940075 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153871 C[C@@H]1CN([C@@H](C)CN1C(=O)c1ccc(cc1)C(=O)c1ccccc1)C(=O)[C@@](C)(O)C(F)(F)F InChI=1S/C24H25F3N2O4/c1-15-14-29(22(32)23(3,33)24(25,26)27)16(2)13-28(15)21(31)19-11-9-18(10-12-19)20(30)17-7-5-4-6-8-17/h4-12,15-16,33H,13-14H2,1-3H3 FCGQJJLAXDSNSY-UHFFFAOYSA-N 50472811 CHEMBL310879 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 20 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472811 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472811&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10552005 433940076 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153872 C[C@@](O)(C(=O)N1CCCN(Cc2ccccc2)CC1)C(F)(F)F InChI=1S/C16H21F3N2O2/c1-15(23,16(17,18)19)14(22)21-9-5-8-20(10-11-21)12-13-6-3-2-4-7-13/h2-4,6-7,23H,5,8-12H2,1H3 YBSNBENVRJTSGU-UHFFFAOYSA-N 50472812 CHEMBL79791 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 47000 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472812 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472812&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 44461987 433940077 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153873 C[C@@H]1CN(CCN1C(=O)c1cc(Cl)cc(Cl)c1)C(=O)[C@@](C)(O)C(F)(F)F InChI=1S/C16H17Cl2F3N2O3/c1-9-8-22(14(25)15(2,26)16(19,20)21)3-4-23(9)13(24)10-5-11(17)7-12(18)6-10/h5-7,9,26H,3-4,8H2,1-2H3 DWNQJRRDAKFIKJ-UHFFFAOYSA-N 50472813 CHEMBL80034 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 28 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472813 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472813&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 11795974 433940078 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153874 C[C@@](O)(C(=O)N1CCN(CC1)c1ccccc1)C(F)(F)F InChI=1S/C14H17F3N2O2/c1-13(21,14(15,16)17)12(20)19-9-7-18(8-10-19)11-5-3-2-4-6-11/h2-6,21H,7-10H2,1H3 LBPILVSVEUTBMN-UHFFFAOYSA-N 50472814 CHEMBL309318 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 4160 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472814 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472814&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 15895432 433940079 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153875 CC(O)(C(=O)N1CCCCC1)C(F)(F)F InChI=1S/C9H14F3NO2/c1-8(15,9(10,11)12)7(14)13-5-3-2-4-6-13/h15H,2-6H2,1H3 SEJCIFXFCLVDTF-UHFFFAOYSA-N 50472815 CHEMBL310295 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 23900 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472815 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472815&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10751652 433940080 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153876 C[C@@](O)(C(=O)NC1CCCCC1)C(F)(F)F InChI=1S/C10H16F3NO2/c1-9(16,10(11,12)13)8(15)14-7-5-3-2-4-6-7/h7,16H,2-6H2,1H3,(H,14,15) PRSBFZYLDPYLPY-UHFFFAOYSA-N 50472322 CHEMBL329794 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 6200 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472322 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472322&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10752484 433939587 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153877 CC(C)(O)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:6:7:13:10.9.11,16:15:13:10.9.11,THB:6:7:10.9.16:12.14.13,16:10:7.15.14:13,11:10:7:12.14.13,11:12:7:10.9.16,(4.19,-14.79,;4.62,-13.3,;4.19,-11.81,;3.08,-13.3,;6.11,-13.7,;6.09,-15.24,;7.42,-12.94,;8.77,-13.7,;9.93,-13.3,;9.91,-11.76,;10.83,-10.08,;12.15,-10.83,;12.4,-12.56,;11.63,-13.89,;11.14,-12.99,;9.52,-12.37,;9.5,-10.83,)| 50472816 CHEMBL310616 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 10000 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472816 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472816&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10585965 433940081 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153878 ClC(Cl)C(=O)N1CCC(Cc2ccccc2)CC1 InChI=1S/C14H17Cl2NO/c15-13(16)14(18)17-8-6-12(7-9-17)10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2 KLPIBTKZNMKQHO-UHFFFAOYSA-N 50472817 CHEMBL79457 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 179 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472817 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472817&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 4251733 433940082 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153879 CC(O)C(=O)N1CCC(Cc2ccccc2)CC1 InChI=1S/C15H21NO2/c1-12(17)15(18)16-9-7-14(8-10-16)11-13-5-3-2-4-6-13/h2-6,12,14,17H,7-11H2,1H3 KIIIUVYEGOOMMP-UHFFFAOYSA-N 50472818 CHEMBL83496 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 310000 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472818 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472818&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10705650 433940083 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153880 C[C@@H]1CN([C@@H](C)CN1C(=O)[C@@](C)(O)C(F)(F)F)S(=O)(=O)c1cccc2ccccc12 InChI=1S/C20H23F3N2O4S/c1-13-12-25(14(2)11-24(13)18(26)19(3,27)20(21,22)23)30(28,29)17-10-6-8-15-7-4-5-9-16(15)17/h4-10,13-14,27H,11-12H2,1-3H3 MJXDBAORYYDXKE-UHFFFAOYSA-N 50472819 CHEMBL315063 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 49000 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472819 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472819&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10813179 433940084 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153881 C[C@H]1CN([C@H](C)CN1Cc1ccccc1)C(=O)[C@@](C)(O)C(F)(F)F 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 VRUHOUHYPBCHJF-UHFFFAOYSA-N 50472820 CHEMBL419850 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus >300000 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472820 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472820&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10688803 433940085 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153882 C[C@@](O)(C(=O)N1CCCN(CC1)C(=O)c1ccccc1)C(F)(F)F InChI=1S/C16H19F3N2O3/c1-15(24,16(17,18)19)14(23)21-9-5-8-20(10-11-21)13(22)12-6-3-2-4-7-12/h2-4,6-7,24H,5,8-11H2,1H3 HSGKLINOEFQJOG-UHFFFAOYSA-N 50472821 CHEMBL310213 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 5620 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472821 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472821&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 44461977 433940086 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153883 C\N=C(/S)N1CCC(=CC1)C(C)(C)C |c:7| InChI=1S/C11H20N2S/c1-11(2,3)9-5-7-13(8-6-9)10(14)12-4/h5H,6-8H2,1-4H3,(H,12,14) BPVGLXKKYZJVTM-UHFFFAOYSA-N 50472822 CHEMBL79830 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 180000 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472822 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472822&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10198239 433940087 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153884 CCC(O)(C(=O)Nc1ccccc1Cl)C(F)(F)F InChI=1S/C11H11ClF3NO2/c1-2-10(18,11(13,14)15)9(17)16-8-6-4-3-5-7(8)12/h3-6,18H,2H2,1H3,(H,16,17) KULYLPBTFPTNCH-UHFFFAOYSA-N 50472823 CHEMBL82096 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 20000 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472823 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472823&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10850429 433940088 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153885 OC(C(=O)NC1C2CC3CC(C2)CC1C3)(C(F)(F)F)C(F)(F)F |TLB:4:5:7:10.11.9,THB:4:5:8.7.14:10.12.11,9:8:5:10.12.11,9:10:5:8.7.14,12:13:7:10.11.9,12:10:7:5.13.14,(7.39,-12.29,;8.93,-12.29,;10.4,-12.69,;10.4,-14.22,;11.75,-11.94,;13.09,-12.71,;13.84,-11.36,;13.84,-9.83,;15.15,-9.05,;16.49,-9.81,;16.75,-11.56,;15.47,-11.97,;15.97,-12.9,;14.25,-12.29,;14.25,-10.75,;8.51,-10.78,;8.16,-9.41,;9.45,-9.47,;7.05,-10.13,;8.51,-13.77,;8.13,-15.1,;7.05,-14.41,;9.45,-15.08,)| 50472824 CHEMBL311208 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 17000 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472824 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472824&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10807453 433940089 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153886 COC(=O)c1ccc(cc1)C(=O)N1C[C@H](C)N(C[C@H]1C)C(=O)[C@@](C)(O)C(F)(F)F InChI=1S/C19H23F3N2O5/c1-11-10-24(17(27)18(3,28)19(20,21)22)12(2)9-23(11)15(25)13-5-7-14(8-6-13)16(26)29-4/h5-8,11-12,28H,9-10H2,1-4H3 PYKLJRYDQFJXIL-UHFFFAOYSA-N 50472825 CHEMBL81574 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 19 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472825 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472825&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10432041 433940090 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153887 C[C@@H]1CN(CCN1S(=O)(=O)c1ccccc1)C(=O)[C@@](C)(O)C(F)(F)F InChI=1S/C15H19F3N2O4S/c1-11-10-19(13(21)14(2,22)15(16,17)18)8-9-20(11)25(23,24)12-6-4-3-5-7-12/h3-7,11,22H,8-10H2,1-2H3 HKGXRAHGCLRHDH-UHFFFAOYSA-N 50472826 CHEMBL83727 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 37 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472826 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472826&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10738539 433940091 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153888 OC1(CC1)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:6:7:10.9.16:12.13.14,THB:6:7:9:12.13.11,14:15:9:12.13.11,14:12:9:7.15.16,11:10:7:12.13.14,11:12:7:10.9.16,(1.42,-2.48,;1.45,-4.01,;1.05,-5.5,;-.04,-4.37,;2.93,-4.42,;2.93,-5.93,;4.28,-3.67,;5.62,-4.42,;6.77,-4.01,;8.5,-4.63,;9.26,-3.28,;9,-1.54,;7.67,-.76,;6.77,-2.48,;6.36,-1.54,;6.36,-3.08,;7.98,-3.69,)| 50472827 CHEMBL316226 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 15000 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472827 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472827&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10489945 433940092 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153889 C[C@@](O)(C(=O)N1CCN(Cc2ccccc2)CC1)C(F)(F)F InChI=1S/C15H19F3N2O2/c1-14(22,15(16,17)18)13(21)20-9-7-19(8-10-20)11-12-5-3-2-4-6-12/h2-6,22H,7-11H2,1H3 KWYSLQQFPJNQKB-UHFFFAOYSA-N 50472828 CHEMBL80035 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 19900 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472828 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472828&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10805348 433940093 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153890 COC(=O)N1CCC(Cc2ccccc2)CC1 InChI=1S/C14H19NO2/c1-17-14(16)15-9-7-13(8-10-15)11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3 VRESKQKAUDDRQK-UHFFFAOYSA-N 50472829 CHEMBL81085 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 1000000 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472829 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472829&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 1530077 433940094 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153891 C[C@](O)(C(=O)Nc1ccccc1Cl)C(F)(F)F InChI=1S/C10H9ClF3NO2/c1-9(17,10(12,13)14)8(16)15-7-5-3-2-4-6(7)11/h2-5,17H,1H3,(H,15,16) XJVOPOWBIDUKFI-UHFFFAOYSA-N 50472321 CHEMBL90360 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 9800 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472321 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472321&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10754328 433939586 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153892 C[C@@H]1CN([C@@H](C)CN1Cc1ccccc1)C(=O)[C@@](C)(O)C(F)(F)F 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 VRUHOUHYPBCHJF-UHFFFAOYSA-N 50472316 CHEMBL82385 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 82 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472316 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472316&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10759867 433939581 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153893 C[C@@](O)(C(=O)N1CCN(CC1)c1ccccn1)C(F)(F)F InChI=1S/C13H16F3N3O2/c1-12(21,13(14,15)16)11(20)19-8-6-18(7-9-19)10-4-2-3-5-17-10/h2-5,21H,6-9H2,1H3 XDLKDDBLFUSGFB-UHFFFAOYSA-N 50472830 CHEMBL313843 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 3370 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472830 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472830&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 44461816 433940095 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153894 C[C@@](O)(C(=O)Nc1ccccc1Cl)C(F)(F)F InChI=1S/C10H9ClF3NO2/c1-9(17,10(12,13)14)8(16)15-7-5-3-2-4-6(7)11/h2-5,17H,1H3,(H,15,16) XJVOPOWBIDUKFI-UHFFFAOYSA-N 50472308 CHEMBL93045 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 300 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472308 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472308&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10706963 433939573 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153895 C[C@@H]1CN(CCN1S(=O)(=O)c1cccc2ccccc12)C(=O)[C@@](C)(O)C(F)(F)F InChI=1S/C19H21F3N2O4S/c1-13-12-23(17(25)18(2,26)19(20,21)22)10-11-24(13)29(27,28)16-9-5-7-14-6-3-4-8-15(14)16/h3-9,13,26H,10-12H2,1-2H3 CIXBLFNGJXASBM-UHFFFAOYSA-N 50472831 CHEMBL84271 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 25 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472831 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472831&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10502743 433940096 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153896 CC(C)(O)C(=O)N1CCC(Cc2ccccc2)CC1 InChI=1S/C16H23NO2/c1-16(2,19)15(18)17-10-8-14(9-11-17)12-13-6-4-3-5-7-13/h3-7,14,19H,8-12H2,1-2H3 QLZFREJVUWIFMT-UHFFFAOYSA-N 50472832 CHEMBL83816 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 150000 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472832 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472832&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10801401 433940097 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153897 [H]C12CC3([H])CC([H])(C1)C(NC(=O)[C@](C)(O)C(F)(F)F)C([H])(C2)C3 |r,wU:13.14,wD:13.15,TLB:10:9:8:3.5.2,23:20:8:3.5.2,THB:2:1:9:3.23.5,2:3:9:1.22.8,10:9:1.22.8:3.23.5,23:3:9.20.22:8,(17.73,-11.74,;16.06,-11.92,;15.8,-10.19,;14.49,-9.43,;15.33,-7.94,;13.57,-11.12,;13.59,-12.65,;13.19,-14.33,;15.29,-13.26,;12.42,-13.07,;11.08,-12.3,;9.76,-13.07,;9.74,-14.6,;8.28,-12.65,;7.86,-14.13,;6.75,-12.65,;7.86,-11.17,;7.51,-9.8,;8.81,-9.86,;6.4,-10.51,;13.17,-11.73,;11.85,-10.53,;14.81,-12.35,;13.15,-10.19,)| 50472833 CHEMBL1907671 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 11000 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472833 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472833&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10755989 433940098 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153898 CCC(O)(C(=O)NC1C2CC3CC(C2)CC1C3)C(F)(F)F |TLB:6:7:10.9.16:12.13.14,6:7:16:12.14.11,13:8:16:12.14.11,13:12:7.8.9:16,THB:11:10:7:12.13.14,11:12:7:10.9.16,(7.02,-14.61,;8.52,-14.21,;8.92,-12.73,;7.39,-12.73,;10.41,-13.13,;10.41,-14.64,;11.75,-12.37,;13.08,-13.15,;13.83,-11.8,;15.47,-12.41,;16.73,-12,;16.48,-10.25,;15.14,-9.49,;13.83,-10.27,;14.24,-11.19,;14.24,-12.73,;15.98,-13.34,;8.52,-11.22,;8.15,-9.85,;9.45,-9.91,;7.04,-10.57,)| 50472834 CHEMBL81720 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 14000 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472834 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472834&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10638282 433940099 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153899 CCC(C)(O)C(=O)Nc1ccccc1Cl InChI=1S/C11H14ClNO2/c1-3-11(2,15)10(14)13-9-7-5-4-6-8(9)12/h4-7,15H,3H2,1-2H3,(H,13,14) VGYWAWJVXUUZLD-UHFFFAOYSA-N 50472835 CHEMBL310999 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 23000 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472835 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472835&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10561285 433940100 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153900 C[C@H]1CN([C@H](C)CN1C(=O)[C@@](C)(O)C(F)(F)F)S(=O)(=O)c1cccc2ccccc12 InChI=1S/C20H23F3N2O4S/c1-13-12-25(14(2)11-24(13)18(26)19(3,27)20(21,22)23)30(28,29)17-10-6-8-15-7-4-5-9-16(15)17/h4-10,13-14,27H,11-12H2,1-3H3 MJXDBAORYYDXKE-UHFFFAOYSA-N 50472836 CHEMBL311125 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 4.5 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472836 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472836&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10718147 433940101 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153901 [H]C12CC3([H])CC([H])(C1)C(NC(=O)[C@@](C)(O)C(F)(F)F)C([H])(C2)C3 |r,wU:13.15,wD:13.14,TLB:10:9:8:3.5.2,23:20:8:3.5.2,THB:2:1:9:3.23.5,2:3:9:1.22.8,10:9:1.22.8:3.23.5,23:3:9.20.22:8,(17.73,-11.74,;16.06,-11.92,;15.8,-10.19,;14.49,-9.43,;15.33,-7.94,;13.57,-11.12,;13.59,-12.65,;13.19,-14.33,;15.29,-13.26,;12.42,-13.07,;11.08,-12.3,;9.76,-13.07,;9.74,-14.6,;8.28,-12.65,;7.86,-14.13,;6.75,-12.65,;7.86,-11.17,;7.51,-9.8,;8.81,-9.86,;6.4,-10.51,;13.17,-11.73,;11.85,-10.53,;14.81,-12.35,;13.15,-10.19,)| 50472837 CHEMBL1907862 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 300 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472837 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472837&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10589648 433940102 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153902 CC(C)[C@H]1CN([C@H](C)CN1C(=O)[C@@](C)(O)C(F)(F)F)C(=O)c1ccc(cc1)C#N InChI=1S/C20H24F3N3O3/c1-12(2)16-11-25(17(27)15-7-5-14(9-24)6-8-15)13(3)10-26(16)18(28)19(4,29)20(21,22)23/h5-8,12-13,16,29H,10-11H2,1-4H3 AGNRJNNLPVOXLE-UHFFFAOYSA-N 50472838 CHEMBL81854 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 17000 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472838 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472838&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10549561 433940103 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153903 C[C@@H]1CN([C@@H](C)CN1\C(Oc1ccccc1)=N\C#N)C(=O)[C@@](C)(O)C(F)(F)F InChI=1S/C18H21F3N4O3/c1-12-10-25(16(23-11-22)28-14-7-5-4-6-8-14)13(2)9-24(12)15(26)17(3,27)18(19,20)21/h4-8,12-13,27H,9-10H2,1-3H3 LARQCTYKSKQIDL-UHFFFAOYSA-N 50472839 CHEMBL3349325 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 9.1 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472839 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472839&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10810864 433940104 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153904 OC1(CC1)C(=O)N1CCC(Cc2ccccc2)CC1 InChI=1S/C16H21NO2/c18-15(16(19)8-9-16)17-10-6-14(7-11-17)12-13-4-2-1-3-5-13/h1-5,14,19H,6-12H2 ODPIAQGJGCIQAU-UHFFFAOYSA-N 50472840 CHEMBL313453 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 260000 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472840 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472840&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10611311 433940105 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153905 C[C@@H]1CN([C@@H](C)CN1C(=O)C1CCCCC1)C(=O)[C@@](C)(O)C(F)(F)F InChI=1S/C17H27F3N2O3/c1-11-10-22(15(24)16(3,25)17(18,19)20)12(2)9-21(11)14(23)13-7-5-4-6-8-13/h11-13,25H,4-10H2,1-3H3 IFVNYUMVAGVLMH-UHFFFAOYSA-N 50472841 CHEMBL443012 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 13 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472841 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472841&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10090164 433940106 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153906 C[C@@H]1CN(CCN1C(=O)C1CCCCC1)C(=O)[C@@](C)(O)C(F)(F)F InChI=1S/C16H25F3N2O3/c1-11-10-20(14(23)15(2,24)16(17,18)19)8-9-21(11)13(22)12-6-4-3-5-7-12/h11-12,24H,3-10H2,1-2H3 SJSZQKCYMPXJEG-UHFFFAOYSA-N 50472842 CHEMBL314190 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 64 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472842 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472842&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 11792130 433940107 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153907 CCCC1CCN(CC1)C(=O)[C@@](C)(O)C(F)(F)F |r| InChI=1S/C12H20F3NO2/c1-3-4-9-5-7-16(8-6-9)10(17)11(2,18)12(13,14)15/h9,18H,3-8H2,1-2H3 VHXXBZAIKAGAMA-UHFFFAOYSA-N 50472843 CHEMBL1907863 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 3100 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472843 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472843&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10539749 433940108 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153908 C[C@@H]1CN(CCN1C(=O)c1ccccc1)C(=O)[C@@](C)(O)C(F)(F)F InChI=1S/C16H19F3N2O3/c1-11-10-20(14(23)15(2,24)16(17,18)19)8-9-21(11)13(22)12-6-4-3-5-7-12/h3-7,11,24H,8-10H2,1-2H3 ZZZJHJALRUCFRF-UHFFFAOYSA-N 50472844 CHEMBL79871 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 173 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472844 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472844&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10759850 433940109 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153909 C[C@@](O)(C(=O)N1CCN(CC1)c1cc(ccn1)[N+]([O-])=O)C(F)(F)F InChI=1S/C13H15F3N4O4/c1-12(22,13(14,15)16)11(21)19-6-4-18(5-7-19)10-8-9(20(23)24)2-3-17-10/h2-3,8,22H,4-7H2,1H3 LBMGZNMRHIRTRX-UHFFFAOYSA-N 50472845 CHEMBL84185 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 2840 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472845 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472845&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10545640 433940110 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937 51153910 CC(C)(C)C(=O)N1CCC(Cc2ccccc2)CC1 InChI=1S/C17H25NO/c1-17(2,3)16(19)18-11-9-15(10-12-18)13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3 FDAGSXGJLVOOAV-UHFFFAOYSA-N 50472846 CHEMBL84361 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial Rattus norvegicus 282000 ChEMBL 10.1021/jm990358+ 10.7270/Q2B85BVQ 10649979 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR 1/27/2000 8/22/2020 Novartis Institute For Biomedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50472846 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007912&target=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50472846&enzyme=%5BPyruvate+dehydrogenase+%28acetyl-transferring%29%5D+kinase+isozyme+4%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 1546818 433940111 1 MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial PDK4_RAT O54937