Found 73 hits with Last Name = 'fillers' and Initial = 'ws' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Carnitine O-palmitoyltransferase 1, liver isoform
(Rattus norvegicus) | BDBM50033117
(CHEMBL114113 | [3-Carboxy-2-(hydroxy-tetradecyloxy...)Show SMILES CCCCCCCCCCCCCCOP([O-])(=O)O[C@H](CC(O)=O)C[N+](C)(C)C Show InChI InChI=1S/C21H44NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-27-29(25,26)28-20(18-21(23)24)19-22(2,3)4/h20H,5-19H2,1-4H3,(H-,23,24,25,26)/t20-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sandoz Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibition of carnitine palmitoyltransferase I withrespect to palmitoyl CoA in rat |
J Med Chem 38: 3448-50 (1995)
BindingDB Entry DOI: 10.7270/Q2VQ31R1 |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472804
(CHEMBL83273)Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)c1cc(Cl)cc(Cl)c1)C(=O)[C@@](C)(O)C(F)(F)F Show InChI 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/t9-,10+,16-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472836
(CHEMBL311125)Show SMILES C[C@H]1CN([C@H](C)CN1C(=O)[C@@](C)(O)C(F)(F)F)S(=O)(=O)c1cccc2ccccc12 Show InChI 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/t13-,14+,19+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472839
(CHEMBL3349325)Show SMILES C[C@@H]1CN([C@@H](C)CN1\C(Oc1ccccc1)=N\C#N)C(=O)[C@@](C)(O)C(F)(F)F Show InChI 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/b23-16-/t12-,13+,17+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472841
(CHEMBL443012)Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)C1CCCCC1)C(=O)[C@@](C)(O)C(F)(F)F Show InChI 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/t11-,12+,16-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472793
(CHEMBL313878)Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)OCc1ccccc1)C(=O)[C@@](C)(O)C(F)(F)F Show InChI 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/t12-,13+,17+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50236533
(CHEMBL316388)Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)c1ccc(cc1)C#N)C(=O)[C@@](C)(O)C(F)(F)F |r| Show InChI InChI=1S/C18H20F3N3O3/c1-11-10-24(16(26)17(3,27)18(19,20)21)12(2)9-23(11)15(25)14-6-4-13(8-22)5-7-14/h4-7,11-12,27H,9-10H2,1-3H3/t11-,12+,17-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472825
(CHEMBL81574)Show SMILES COC(=O)c1ccc(cc1)C(=O)N1C[C@H](C)N(C[C@H]1C)C(=O)[C@@](C)(O)C(F)(F)F Show InChI 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/t11-,12+,18-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472811
(CHEMBL310879)Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)c1ccc(cc1)C(=O)c1ccccc1)C(=O)[C@@](C)(O)C(F)(F)F Show InChI 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/t15-,16+,23-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472310
(CHEMBL84231)Show SMILES C[C@@H]1CN(CCN1C(=O)OCc1ccccc1)C(=O)[C@@](C)(O)C(F)(F)F Show InChI InChI=1S/C17H21F3N2O4/c1-12-10-21(14(23)16(2,25)17(18,19)20)8-9-22(12)15(24)26-11-13-6-4-3-5-7-13/h3-7,12,25H,8-11H2,1-2H3/t12-,16-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472831
(CHEMBL84271)Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1cccc2ccccc12)C(=O)[C@@](C)(O)C(F)(F)F Show InChI 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/t13-,18-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472813
(CHEMBL80034)Show SMILES C[C@@H]1CN(CCN1C(=O)c1cc(Cl)cc(Cl)c1)C(=O)[C@@](C)(O)C(F)(F)F Show InChI 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/t9-,15-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472797
(CHEMBL419846)Show SMILES C[C@@H]1CN(CCN1C(=O)c1ccc(cc1)C(=O)c1ccccc1)C(=O)[C@@](C)(O)C(F)(F)F Show InChI 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/t15-,22-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472803
(CHEMBL83502)Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(=O)[C@@](C)(O)C(F)(F)F Show InChI 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/t13-,18-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472826
(CHEMBL83727)Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1ccccc1)C(=O)[C@@](C)(O)C(F)(F)F Show InChI 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/t11-,14-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472806
(CHEMBL84406)Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1)-c1c(C)cc(C)cc1C)C(=O)[C@@](C)(O)C(F)(F)F Show InChI 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/t18-,23-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472790
(CHEMBL309697)Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCN(C[C@H]1C)C(=O)[C@@](C)(O)C(F)(F)F Show InChI 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/t11-,18-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472810
(CHEMBL3349326)Show SMILES C[C@@H]1CN(CCN1\C(Oc1ccccc1)=N\C#N)C(=O)[C@@](C)(O)C(F)(F)F Show InChI 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/b22-15-/t12-,16-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472842
(CHEMBL314190)Show SMILES C[C@@H]1CN(CCN1C(=O)C1CCCCC1)C(=O)[C@@](C)(O)C(F)(F)F Show InChI 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/t11-,15-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472808
(CHEMBL419665)Show SMILES C[C@@H]1CN(CCN1C(=O)c1cccc2ccccc12)C(=O)[C@@](C)(O)C(F)(F)F Show InChI 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/t13-,19-/m1/s1 | PDB
UniProtKB/SwissProt
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| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472318
(CHEMBL304292)Show SMILES C[C@@H]1CN(CCN1C(=O)c1ccc(cc1)C#N)C(=O)[C@@](C)(O)C(F)(F)F Show InChI InChI=1S/C17H18F3N3O3/c1-11-10-22(15(25)16(2,26)17(18,19)20)7-8-23(11)14(24)13-5-3-12(9-21)4-6-13/h3-6,11,26H,7-8,10H2,1-2H3/t11-,16-/m1/s1 | PDB
UniProtKB/SwissProt
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| Article
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| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472316
(CHEMBL82385)Show SMILES C[C@@H]1CN([C@@H](C)CN1Cc1ccccc1)C(=O)[C@@](C)(O)C(F)(F)F Show InChI InChI=1S/C17H23F3N2O2/c1-12-10-22(15(23)16(3,24)17(18,19)20)13(2)9-21(12)11-14-7-5-4-6-8-14/h4-8,12-13,24H,9-11H2,1-3H3/t12-,13+,16-/m1/s1 | PDB
UniProtKB/SwissProt
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| Article
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| n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472791
(CHEMBL83771)Show SMILES C[C@@H]1CN(CCN1c1cc(ccn1)[N+]([O-])=O)C(=O)[C@@](C)(O)C(F)(F)F Show InChI 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/t9-,13-/m1/s1 | PDB
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| Article
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| n/a | n/a | 112 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472844
(CHEMBL79871)Show SMILES C[C@@H]1CN(CCN1C(=O)c1ccccc1)C(=O)[C@@](C)(O)C(F)(F)F Show InChI 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/t11-,15-/m1/s1 | PDB
UniProtKB/SwissProt
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| Article
PubMed
| n/a | n/a | 173 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472817
(CHEMBL79457)Show InChI 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 | PDB
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| n/a | n/a | 179 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472308
(CHEMBL93045)Show InChI 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)/t9-/m1/s1 | PDB
UniProtKB/SwissProt
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| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472837
(CHEMBL1907862)Show SMILES [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,)| Show InChI InChI=1S/C14H20F3NO2/c1-13(20,14(15,16)17)12(19)18-11-9-3-7-2-8(5-9)6-10(11)4-7/h7-11,20H,2-6H2,1H3,(H,18,19)/t7?,8?,9?,10?,11?,13-/m1/s1 | PDB
UniProtKB/SwissProt
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472788
(CHEMBL84211)Show SMILES C[C@@H]1CN(CCN1Cc1ccccc1)C(=O)[C@@](C)(O)C(F)(F)F Show InChI 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/t12-,15-/m1/s1 | PDB
UniProtKB/SwissProt
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| PC cid
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| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472798
(CHEMBL311674)Show InChI 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/t7?,9-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
Protein-serine/threonine kinase/[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1/2/4, mitochondrial
(Rattus norvegicus) | BDBM50472785
(CHEMBL311859)Show InChI 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 | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472794
(CHEMBL84479)Show SMILES C[C@@](O)(C(=O)N1CCCN(CC1)c1cc(Cl)ccn1)C(F)(F)F Show InChI 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/t13-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
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| Article
PubMed
| n/a | n/a | 2.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472786
(CHEMBL79731)Show InChI 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 | PDB
UniProtKB/SwissProt
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| Article
PubMed
| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472845
(CHEMBL84185)Show SMILES C[C@@](O)(C(=O)N1CCN(CC1)c1cc(ccn1)[N+]([O-])=O)C(F)(F)F Show InChI 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/t12-/m1/s1 | PDB
UniProtKB/SwissProt
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 2.84E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472843
(CHEMBL1907863)Show InChI 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/t11-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472830
(CHEMBL313843)Show InChI 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/t12-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472814
(CHEMBL309318)Show InChI 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/t13-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472809
(CHEMBL420219)Show InChI 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) | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472802
(CHEMBL311896)Show SMILES C[C@@](O)(C(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12)C(F)(F)F Show InChI 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/t18-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472789
(CHEMBL315234)Show SMILES C[C@@](O)(C(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1)C(F)(F)F Show InChI 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/t13-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472821
(CHEMBL310213)Show SMILES C[C@@](O)(C(=O)N1CCCN(CC1)C(=O)c1ccccc1)C(F)(F)F Show InChI 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/t15-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472800
(CHEMBL3349327)Show SMILES C[C@@](O)(C(=O)N1CCN(CC1)C(\Oc1ccccc1)=N\C#N)C(F)(F)F Show InChI 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/b21-14-/t15-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472322
(CHEMBL329794)Show InChI 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)/t9-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472317
(CHEMBL83151)Show SMILES C[C@@](O)(C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)C#N)C(F)(F)F Show InChI 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/t15-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472321
(CHEMBL90360)Show InChI 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)/t9-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472816
(CHEMBL310616)Show SMILES 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,)| Show InChI InChI=1S/C14H23NO2/c1-14(2,17)13(16)15-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-12,17H,3-7H2,1-2H3,(H,15,16) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472833
(CHEMBL1907671)Show SMILES [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,)| Show InChI InChI=1S/C14H20F3NO2/c1-13(20,14(15,16)17)12(19)18-11-9-3-7-2-8(5-9)6-10(11)4-7/h7-11,20H,2-6H2,1H3,(H,18,19)/t7?,8?,9?,10?,11?,13-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472834
(CHEMBL81720)Show SMILES 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,)| Show InChI InChI=1S/C15H22F3NO2/c1-2-14(21,15(16,17)18)13(20)19-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-12,21H,2-7H2,1H3,(H,19,20) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472797
(CHEMBL419846)Show SMILES C[C@@H]1CN(CCN1C(=O)c1ccc(cc1)C(=O)c1ccccc1)C(=O)[C@@](C)(O)C(F)(F)F Show InChI 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/t15-,22-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472827
(CHEMBL316226)Show SMILES 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,)| Show InChI InChI=1S/C14H21NO2/c16-13(14(17)1-2-14)15-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-12,17H,1-7H2,(H,15,16) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472824
(CHEMBL311208)Show SMILES 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,)| Show InChI InChI=1S/C14H17F6NO2/c15-13(16,17)12(23,14(18,19)20)11(22)21-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10,23H,1-5H2,(H,21,22) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
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