Reaction Details | |||
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Target | ALK tyrosine kinase receptor [L1196M] | ||
Ligand | BDBM175257 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | In Vitro Inhibition Assay | ||
IC50 | 13±0 nM | ||
Citation | Carry, J; Chatreaux, F; Deprets, S; Duclos, O; Leroy, V; Mallart, S; Melon-Manguer, D; Mendez-Perez, M; Vergne, F Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof US Patent US9115140 Publication Date 8/25/2015 | ||
More Info.: | Get all data from this article, Assay Method | ||
ALK tyrosine kinase receptor [L1196M] | |||
Name: | ALK tyrosine kinase receptor [L1196M] | ||
Synonyms: | ALK | ALK L1196M | ALK tyrosine kinase receptor (ALK) (L1196M) | ALK tyrosine kinase receptor (ALK)(L1196M) | ALK tyrosine kinase receptor (L1196M) | ALK_HUMAN | Anaplastic lymphoma kinase L1196M (ALK L1196M) | Tyrosine-protein kinase receptor [L1196M] | ||
Type: | n/a | ||
Mol. Mass.: | 176471.13 | ||
Organism: | Homo sapiens (Human) | ||
Description: | Q9UM73[L1196M] | ||
Residue: | 1620 | ||
Sequence: |
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BDBM175257 | |||
n/a | |||
Name | BDBM175257 | ||
Synonyms: | US9115140, I-172 | ||
Type | Small organic molecule | ||
Emp. Form. | C24H26FN7O3S | ||
Mol. Mass. | 511.572 | ||
SMILES | COc1ncc(F)cc1-c1c(sc2cnc(Nc3cc(nn3C(C)C)C3CCOCC3)nc12)C(N)=O |(2.82,-5.98,;1.79,-4.84,;.29,-5.16,;-.19,-6.62,;-1.7,-6.94,;-2.73,-5.8,;-4.23,-6.12,;-2.25,-4.33,;-.74,-4.01,;-.27,-2.55,;-1.17,-1.3,;-.27,-.06,;1.2,-.53,;2.53,.24,;3.86,-.53,;3.86,-2.07,;5.2,-2.84,;5.2,-4.38,;3.95,-5.29,;4.43,-6.75,;5.97,-6.75,;6.44,-5.29,;7.91,-4.81,;8.23,-3.31,;9.05,-5.84,;3.52,-8,;1.99,-7.84,;1.09,-9.08,;1.71,-10.49,;3.24,-10.65,;4.15,-9.41,;2.53,-2.84,;1.2,-2.07,;-2.71,-1.3,;-3.48,-2.64,;-3.48,.03,)| | ||
Structure |