| Reaction Details |
|---|
 | Report a problem with these data |
| Target | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial |
|---|
| Ligand | BDBM50236533 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_1659262 (CHEMBL4008874) |
|---|
| IC50 | 66±n/a nM |
|---|
| Citation |  Brough, PA; Baker, L; Bedford, S; Brown, K; Chavda, S; Chell, V; D'Alessandro, J; Davies, NG; Davis, B; Le Strat, L; Macias, AT; Maddox, D; Mahon, PC; Massey, AJ; Matassova, N; McKenna, S; Meissner, JW; Moore, JD; Murray, JB; Northfield, CJ; Parry, C; Parsons, R; Roughley, SD; Shaw, T; Simmonite, H; Stokes, S; Surgenor, A; Stefaniak, E; Robertson, A; Wang, Y; Webb, P; Whitehead, N; Wood, M Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase. J Med Chem60:2271-2286 (2017) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial |
|---|
| Name: | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial |
|---|
| Synonyms: | PDHK1 | PDK1 | PDK1_HUMAN | Pyruvate dehydrogenase kinase | Pyruvate dehydrogenase kinase 1 (PDK1) | Pyruvate dehydrogenase kinase isoform 1 |
|---|
| Type: | Protein |
|---|
| Mol. Mass.: | 49255.23 |
|---|
| Organism: | Homo sapiens (Human) |
|---|
| Description: | Q15118 |
|---|
| Residue: | 436 |
|---|
| Sequence: | MRLARLLRGAALAGPGPGLRAAGFSRSFSSDSGSSPASERGVPGQVDFYARFSPSPLSMK
QFLDFGSVNACEKTSFMFLRQELPVRLANIMKEISLLPDNLLRTPSVQLVQSWYIQSLQE
LLDFKDKSAEDAKAIYDFTDTVIRIRNRHNDVIPTMAQGVIEYKESFGVDPVTSQNVQYF
LDRFYMSRISIRMLLNQHSLLFGGKGKGSPSHRKHIGSINPNCNVLEVIKDGYENARRLC
DLYYINSPELELEELNAKSPGQPIQVVYVPSHLYHMVFELFKNAMRATMEHHANRGVYPP
IQVHVTLGNEDLTVKMSDRGGGVPLRKIDRLFNYMYSTAPRPRVETSRAVPLAGFGYGLP
ISRLYAQYFQGDLKLYSLEGYGTDAVIYIKALSTDSIERLPVYNKAAWKHYNTNHEADDW
CVPSREPKDMTTFRSA
|
|
|
|---|
| BDBM50236533 |
|---|
| n/a |
|---|
| Name | BDBM50236533 |
|---|
| Synonyms: | CHEMBL316388 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C18H20F3N3O3 |
|---|
| Mol. Mass. | 383.3649 |
|---|
| SMILES | C[C@@H]1CN([C@@H](C)CN1C(=O)c1ccc(cc1)C#N)C(=O)[C@@](C)(O)C(F)(F)F |r| |
|---|
| Structure | 
|
|---|
Search and Browse
