Reaction Details | |||
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Target | ALK tyrosine kinase receptor | ||
Ligand | BDBM175254 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | In Vitro Inhibition Assay | ||
IC50 | 17±n/a 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 | |||
Name: | ALK tyrosine kinase receptor | ||
Synonyms: | ALK | ALK tyrosine kinase receptor (ALK) | ALK_HUMAN | Anaplastic lymphoma kinase | CD_antigen: CD246 | ||
Type: | Protein | ||
Mol. Mass.: | 176453.10 | ||
Organism: | Homo sapiens (Human) | ||
Description: | Q9UM73 | ||
Residue: | 1620 | ||
Sequence: |
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BDBM175254 | |||
n/a | |||
Name | BDBM175254 | ||
Synonyms: | US9115140, I-132 | ||
Type | Small organic molecule | ||
Emp. Form. | C27H27N7O3S | ||
Mol. Mass. | 529.613 | ||
SMILES | COc1ncccc1-c1c(sc2cnc(Nc3cc(C)c(cc3OC(C)C)-n3ccnc3C)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,;-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,;3.86,-5.15,;3.86,-6.69,;2.53,-7.46,;5.2,-7.46,;6.53,-6.69,;6.53,-5.15,;7.87,-4.38,;7.87,-2.84,;6.53,-2.07,;9.2,-2.07,;5.2,-9,;3.95,-9.91,;4.43,-11.37,;5.97,-11.37,;6.44,-9.91,;7.91,-9.43,;2.53,-2.84,;1.2,-2.07,;-2.71,-1.3,;-3.48,-2.64,;-3.48,.03,)| | ||
Structure |