Reaction Details | |||
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Target | ALK tyrosine kinase receptor | ||
Ligand | BDBM50396239 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_863883 (CHEMBL2176367) | ||
IC50 | 2±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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BDBM50396239 | |||
n/a | |||
Name | BDBM50396239 | ||
Synonyms: | CHEMBL2172312 | ||
Type | Small organic molecule | ||
Emp. Form. | C31H40FN5O3 | ||
Mol. Mass. | 549.6794 | ||
SMILES | CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CC(C3)C(C)(C)O)cc12 |r,wU:9.12,6.5,(22.07,-55.4,;20.56,-55.09,;20.08,-53.62,;19.53,-56.23,;18.03,-55.92,;17,-57.06,;17.55,-54.45,;16.04,-54.13,;15.56,-52.68,;16.59,-51.53,;18.1,-51.84,;18.58,-53.3,;16.11,-50.07,;17.01,-48.81,;18.55,-48.8,;19.32,-47.46,;18.54,-46.13,;20.86,-47.45,;21.63,-48.78,;23.17,-48.77,;23.93,-47.43,;25.47,-47.42,;23.15,-46.1,;21.61,-46.12,;16.1,-47.56,;14.62,-48.05,;13.29,-47.29,;11.96,-48.06,;11.96,-49.6,;10.62,-50.37,;9.29,-49.6,;8.89,-48.11,;7.4,-48.51,;7.8,-50,;6.07,-47.74,;5.29,-46.4,;6.84,-46.39,;4.73,-48.51,;13.29,-50.37,;14.63,-49.6,)| | ||
Structure |