Reaction Details | |||
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Target | ALK tyrosine kinase receptor | ||
Ligand | BDBM50396241 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_863887 (CHEMBL2176371) | ||
IC50 | 1.9±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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BDBM50396241 | |||
n/a | |||
Name | BDBM50396241 | ||
Synonyms: | CHEMBL2172310 | ||
Type | Small organic molecule | ||
Emp. Form. | C32H42FN5O3 | ||
Mol. Mass. | 563.706 | ||
SMILES | CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCC(C3)C(C)(C)O)cc12 |r,wU:9.12,6.5,(22.58,-40.66,;21.08,-40.34,;20.6,-38.88,;20.05,-41.49,;18.54,-41.17,;17.51,-42.32,;18.06,-39.71,;16.56,-39.39,;16.08,-37.93,;17.11,-36.79,;18.61,-37.09,;19.09,-38.56,;16.62,-35.33,;17.53,-34.07,;19.07,-34.06,;19.83,-32.72,;19.05,-31.39,;21.37,-32.71,;22.14,-34.04,;23.68,-34.03,;24.45,-32.69,;25.99,-32.68,;23.66,-31.36,;22.12,-31.37,;16.61,-32.82,;15.14,-33.3,;13.8,-32.54,;12.47,-33.31,;12.47,-34.86,;11.14,-35.62,;9.8,-34.85,;9.65,-33.33,;8.14,-33,;7.37,-34.34,;8.4,-35.48,;5.84,-34.49,;5.83,-36.03,;4.5,-35.26,;4.94,-33.25,;13.8,-35.63,;15.15,-34.86,)| | ||
Structure |