Reaction Details | |||
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Target | Mitogen-activated protein kinase kinase kinase 9 | ||
Ligand | BDBM50425862 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_933539 (CHEMBL2319701) | ||
IC50 | 160±n/a nM | ||
Citation | Powell, NA; Hoffman, JK; Ciske, FL; Kohrt, JT; Baxi, SM; Peng, YW; Zhong, M; Catana, C; Ohren, J; Perrin, LA; Edmunds, JJ Optimization of highly selective 2,4-diaminopyrimidine-5-carboxamide inhibitors of Sky kinase. Bioorg Med Chem Lett23:1051-5 (2013) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Mitogen-activated protein kinase kinase kinase 9 | |||
Name: | Mitogen-activated protein kinase kinase kinase 9 | ||
Synonyms: | M3K9_HUMAN | MAP3K9 | MLK1 | Mitogen-activated protein kinase kinase kinase 9 | Mitogen-activated protein kinase kinase kinase 9 (MLK1) | Mixed Lineage Kinase 1 (MLK1) | PRKE1 | ||
Type: | protein | ||
Mol. Mass.: | 121881.51 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P80192 | ||
Residue: | 1104 | ||
Sequence: |
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BDBM50425862 | |||
n/a | |||
Name | BDBM50425862 | ||
Synonyms: | CHEMBL2312654 | ||
Type | Small organic molecule | ||
Emp. Form. | C22H26Cl2N6O | ||
Mol. Mass. | 461.387 | ||
SMILES | CN(C)C1CCC(CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1-c1cc(C)no1 |(9.04,-43.08,;10.39,-42.35,;11.7,-43.16,;10.44,-40.81,;9.13,-40,;9.18,-38.46,;10.53,-37.74,;11.85,-38.53,;11.8,-40.08,;10.57,-36.2,;9.81,-34.87,;8.27,-34.86,;7.51,-33.53,;5.96,-33.52,;5.2,-32.19,;5.97,-30.85,;5.21,-29.52,;5.98,-28.19,;3.67,-29.52,;2.89,-30.86,;1.35,-30.86,;3.66,-32.19,;8.27,-32.2,;9.8,-32.19,;10.58,-33.53,;12.11,-33.53,;12.6,-34.99,;14.14,-34.99,;15.06,-36.23,;14.61,-33.52,;13.35,-32.62,)| | ||
Structure |