Reaction Details | |||
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Target | Serine/threonine-protein kinase PAK 1 | ||
Ligand | BDBM50096240 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1505869 (CHEMBL3595326) | ||
Ki | 46±n/a nM | ||
Citation | Rudolph, J; Aliagas, I; Crawford, JJ; Mathieu, S; Lee, W; Chao, Q; Dong, P; Rouge, L; Wang, W; Heise, C; Murray, LJ; La, H; Liu, Y; Manning, G; Diederich, F; Hoeflich, KP Leveraging the Pre-DFG Residue Thr-406 To Obtain High Kinase Selectivity in an Aminopyrazole-Type PAK1 Inhibitor Series. ACS Med Chem Lett6:711-5 (2015) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Serine/threonine-protein kinase PAK 1 | |||
Name: | Serine/threonine-protein kinase PAK 1 | ||
Synonyms: | 2.7.11.1 | Alpha-PAK | Cell division control protein 42 homolog | PAK 1/CDC42 | PAK-1 | PAK1 | PAK1_HUMAN | Serine/threonine-protein kinase PAK 1/PAK 2/PAK 3 | p21-activated kinase 1 | p65-PAK | ||
Type: | n/a | ||
Mol. Mass.: | 60640.15 | ||
Organism: | Homo sapiens (Human) | ||
Description: | Q13153 | ||
Residue: | 545 | ||
Sequence: |
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BDBM50096240 | |||
n/a | |||
Name | BDBM50096240 | ||
Synonyms: | CHEMBL3594181 | ||
Type | Small organic molecule | ||
Emp. Form. | C21H32N8O | ||
Mol. Mass. | 412.5318 | ||
SMILES | C[C@H]1CN(C)C(=O)[C@@H]1c1cc(Nc2ccnc(n2)N(C)C[C@H]2CC[C@H](N)CC2)n[nH]1 |r,wU:21.22,7.8,wD:24.26,1.0,(1.74,-8.68,;2.96,-8.46,;4.08,-9.51,;5.43,-8.77,;6.54,-9.3,;5.14,-7.26,;5.98,-6.36,;3.62,-7.09,;2.99,-5.68,;1.49,-5.37,;1.34,-3.85,;0,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;-2.67,1.54,;-2.67,2.77,;-4,.77,;-5.34,1.53,;-6.67,.76,;-8.01,1.53,;-8.01,3.07,;-9.07,3.69,;-6.67,3.84,;-5.34,3.07,;2.72,-3.21,;3.76,-4.35,)| | ||
Structure |