Reaction Details | |||
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Target | ALK tyrosine kinase receptor | ||
Ligand | BDBM50396247 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_863883 (CHEMBL2176367) | ||
IC50 | 144±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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BDBM50396247 | |||
n/a | |||
Name | BDBM50396247 | ||
Synonyms: | CHEMBL2172336 | ||
Type | Small organic molecule | ||
Emp. Form. | C31H38FN5O4 | ||
Mol. Mass. | 563.6629 | ||
SMILES | CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCCCC3C(O)=O)cc12 |r,wU:9.12,6.5,(19.89,-53.73,;18.39,-53.42,;17.91,-51.95,;17.36,-54.56,;15.85,-54.25,;14.82,-55.39,;15.37,-52.78,;13.86,-52.46,;13.39,-51.01,;14.42,-49.86,;15.92,-50.17,;16.4,-51.63,;13.93,-48.4,;14.84,-47.14,;16.38,-47.13,;17.14,-45.79,;16.36,-44.46,;18.68,-45.78,;19.45,-47.11,;20.99,-47.1,;21.76,-45.76,;23.3,-45.75,;20.97,-44.43,;19.43,-44.45,;13.92,-45.89,;12.45,-46.38,;11.11,-45.61,;9.78,-46.39,;9.78,-47.93,;8.45,-48.7,;7.11,-47.93,;7.11,-46.39,;5.79,-45.62,;4.45,-46.38,;4.44,-47.92,;5.78,-48.7,;5.77,-50.24,;4.44,-51.01,;7.1,-51.02,;11.11,-48.7,;12.45,-47.93,)| | ||
Structure |