Reaction Details | |||
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Target | Serine/threonine-protein kinase PAK 2 | ||
Ligand | BDBM50148921 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1557615 (CHEMBL3772532) | ||
IC50 | 11±n/a nM | ||
Citation | Ndubaku, CO; Crawford, JJ; Drobnick, J; Aliagas, I; Campbell, D; Dong, P; Dornan, LM; Duron, S; Epler, J; Gazzard, L; Heise, CE; Hoeflich, KP; Jakubiak, D; La, H; Lee, W; Lin, B; Lyssikatos, JP; Maksimoska, J; Marmorstein, R; Murray, LJ; O'Brien, T; Oh, A; Ramaswamy, S; Wang, W; Zhao, X; Zhong, Y; Blackwood, E; Rudolph, J Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety. ACS Med Chem Lett6:1241-6 (2015) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Serine/threonine-protein kinase PAK 2 | |||
Name: | Serine/threonine-protein kinase PAK 2 | ||
Synonyms: | PAK2 | PAK2_HUMAN | Serine/threonine-protein kinase PAK 1/PAK 2/PAK 3 | Serine/threonine-protein kinase PAK 2 | Serine/threonine-protein kinase PAK 2 (PAK2) | p21-Activated kinase 2 (PAK2) | ||
Type: | Enzyme | ||
Mol. Mass.: | 58037.40 | ||
Organism: | Homo sapiens (Human) | ||
Description: | Q13177 | ||
Residue: | 524 | ||
Sequence: |
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BDBM50148921 | |||
n/a | |||
Name | BDBM50148921 | ||
Synonyms: | CHEMBL3770443 | ||
Type | Small organic molecule | ||
Emp. Form. | C25H25ClN6O3 | ||
Mol. Mass. | 492.957 | ||
SMILES | CNc1ncc2cc(-c3ccc(cc3Cl)-c3cccc(C)n3)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |r,wU:26.27,wD:29.31,(-5.08,.92,;-4.02,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;4,-1.54,;3.99,-3.08,;5.33,-3.85,;6.66,-3.08,;6.66,-1.54,;5.33,-.77,;5.33,.46,;7.99,-3.86,;9.33,-3.09,;10.66,-3.86,;10.66,-5.4,;9.32,-6.17,;9.32,-7.4,;7.99,-5.4,;2.66,.77,;3.73,1.38,;1.33,1.54,;1.33,3.08,;2.67,3.85,;2.68,5.39,;4.01,6.15,;5.34,5.38,;6.41,5.99,;5.34,3.84,;4,3.07,;,.77,;-1.33,1.54,)| | ||
Structure |