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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Mitogen-activated protein kinase kinase kinase 11 | ||
| Ligand | BDBM6568 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_988713 (CHEMBL2438984) | ||
| Kd | 550±n/a nM | ||
| Citation |  Goodfellow, VS; Loweth, CJ; Ravula, SB; Wiemann, T; Nguyen, T; Xu, Y; Todd, DE; Sheppard, D; Pollack, S; Polesskaya, O; Marker, DF; Dewhurst, S; Gelbard, HA Discovery, synthesis, and characterization of an orally bioavailable, brain penetrant inhibitor of mixed lineage kinase 3. J Med Chem56:8032-48 (2013) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Mitogen-activated protein kinase kinase kinase 11 | |||
| Name: | Mitogen-activated protein kinase kinase kinase 11 | ||
| Synonyms: | M3K11_HUMAN | MAP3K11 | MLK3 | Mitogen-activated protein kinase kinase kinase 11 | Mixed Lineage Kinase 3 (MLK3) | PTK1 | SPRK | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 92696.93 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | ChEMBL_1460565 | ||
| Residue: | 847 | ||
| Sequence: |
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| BDBM6568 | |||
| n/a | |||
| Name | BDBM6568 | ||
| Synonyms: | 6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(methylsulfanyl)phenyl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one | CHEMBL386051 | PD-173955 | PD173955 | US11136333, Compound PD173955 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C21H16Cl2N4OS | ||
| Mol. Mass. | 443.349 | ||
| SMILES | CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)| | ||
| Structure | 
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