Reaction Details | |||
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Target | ALK tyrosine kinase receptor | ||
Ligand | BDBM50396248 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_863883 (CHEMBL2176367) | ||
IC50 | 8±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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BDBM50396248 | |||
n/a | |||
Name | BDBM50396248 | ||
Synonyms: | CHEMBL2172335 | ||
Type | Small organic molecule | ||
Emp. Form. | C31H41FN6O2 | ||
Mol. Mass. | 548.6946 | ||
SMILES | CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCC(CN)CC3)cc12 |r,wU:9.12,6.5,(45.43,-40.21,;43.92,-39.89,;43.44,-38.43,;42.89,-41.04,;41.38,-40.72,;40.36,-41.87,;40.9,-39.26,;39.4,-38.94,;38.92,-37.48,;39.95,-36.34,;41.45,-36.64,;41.93,-38.11,;39.47,-34.87,;40.37,-33.61,;41.91,-33.61,;42.67,-32.27,;41.89,-30.94,;44.21,-32.26,;44.99,-33.59,;46.52,-33.58,;47.29,-32.24,;48.83,-32.23,;46.5,-30.91,;44.97,-30.92,;39.45,-32.37,;37.98,-32.85,;36.64,-32.09,;35.31,-32.86,;35.31,-34.4,;33.98,-35.17,;32.65,-34.4,;32.65,-32.86,;31.33,-32.09,;29.99,-32.85,;28.66,-32.08,;28.67,-30.54,;29.99,-34.4,;31.32,-35.18,;36.65,-35.17,;37.99,-34.4,)| | ||
Structure |