Reaction Details | |||
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Target | Activated CDC42 kinase 1 | ||
Ligand | BDBM50421254 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_840099 (CHEMBL2090703) | ||
Ki | 4±n/a nM | ||
Citation | Jiao, X; Kopecky, DJ; Liu, J; Liu, J; Jaen, JC; Cardozo, MG; Sharma, R; Walker, N; Wesche, H; Li, S; Farrelly, E; Xiao, SH; Wang, Z; Kayser, F Synthesis and optimization of substituted furo[2,3-d]-pyrimidin-4-amines and 7H-pyrrolo[2,3-d]pyrimidin-4-amines as ACK1 inhibitors. Bioorg Med Chem Lett22:6212-7 (2012) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Activated CDC42 kinase 1 | |||
Name: | Activated CDC42 kinase 1 | ||
Synonyms: | ACK1 | ACK1_HUMAN | Activated CDC42 kinase 1 (ACK-1) | TNK2 | Tyrosine kinase non-receptor protein 2 | ||
Type: | Protein | ||
Mol. Mass.: | 114577.86 | ||
Organism: | Homo sapiens (Human) | ||
Description: | Q07912 | ||
Residue: | 1038 | ||
Sequence: |
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BDBM50421254 | |||
n/a | |||
Name | BDBM50421254 | ||
Synonyms: | CHEMBL2087872 | ||
Type | Small organic molecule | ||
Emp. Form. | C29H32FN5O2 | ||
Mol. Mass. | 501.5951 | ||
SMILES | Fc1ccccc1-c1c([nH]c2ncnc(NC[C@@H]3CCCO3)c12)-c1ccc(OCCN2CCCC2)cc1 |r,wU:17.17,(1.31,-33.66,;.28,-32.51,;.76,-31.05,;-.28,-29.91,;-1.79,-30.23,;-2.26,-31.7,;-1.23,-32.83,;-1.7,-34.3,;-.79,-35.55,;-1.7,-36.81,;-3.18,-36.33,;-4.51,-37.1,;-5.85,-36.33,;-5.84,-34.78,;-4.51,-34.01,;-4.52,-32.47,;-5.86,-31.71,;-7.19,-32.48,;-8.59,-31.86,;-9.61,-33.01,;-8.84,-34.34,;-7.34,-34.01,;-3.18,-34.78,;.74,-35.55,;1.51,-36.88,;3.05,-36.88,;3.82,-35.55,;5.36,-35.55,;6.13,-36.88,;7.67,-36.88,;8.44,-35.54,;9.97,-35.37,;10.29,-33.87,;8.95,-33.1,;7.81,-34.13,;3.04,-34.21,;1.51,-34.22,)| | ||
Structure |