Reaction Details | |||
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Target | ALK tyrosine kinase receptor | ||
Ligand | BDBM50396254 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_863887 (CHEMBL2176371) | ||
IC50 | 1.6±n/a nM | ||
Citation | Lewis, RT; Bode, CM; Choquette, DM; Potashman, M; Romero, K; Stellwagen, JC; Teffera, Y; Moore, E; Whittington, DA; Chen, H; Epstein, LF; Emkey, R; Andrews, PS; Yu, VL; Saffran, DC; Xu, M; Drew, A; Merkel, P; Szilvassy, S; Brake, RL The discovery and optimization of a novel class of potent, selective, and orally bioavailable anaplastic lymphoma kinase (ALK) inhibitors with potential utility for the treatment of cancer. J Med Chem55:6523-40 (2012) [PubMed] Article | ||
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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BDBM50396254 | |||
n/a | |||
Name | BDBM50396254 | ||
Synonyms: | CHEMBL2172330 | ||
Type | Small organic molecule | ||
Emp. Form. | C30H38FN5O2 | ||
Mol. Mass. | 519.6534 | ||
SMILES | CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCCCC3)cc12 |r,wU:9.12,6.5,(52.43,-50.86,;50.92,-50.54,;50.44,-49.08,;49.89,-51.69,;48.38,-51.37,;47.36,-52.52,;47.9,-49.91,;46.4,-49.59,;45.92,-48.13,;46.95,-46.98,;48.45,-47.29,;48.93,-48.76,;46.47,-45.52,;47.37,-44.26,;48.91,-44.25,;49.67,-42.92,;48.89,-41.59,;51.21,-42.91,;51.99,-44.23,;53.52,-44.23,;54.29,-42.89,;55.83,-42.88,;53.5,-41.55,;51.97,-41.57,;46.45,-43.01,;44.98,-43.5,;43.64,-42.74,;42.31,-43.51,;42.31,-45.05,;40.98,-45.82,;39.65,-45.05,;39.65,-43.51,;38.32,-42.74,;36.98,-43.5,;36.98,-45.04,;38.31,-45.82,;43.65,-45.82,;44.99,-45.05,)| | ||
Structure |