Reaction Details | |||
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Target | ALK tyrosine kinase receptor | ||
Ligand | BDBM50396249 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_863887 (CHEMBL2176371) | ||
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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BDBM50396249 | |||
n/a | |||
Name | BDBM50396249 | ||
Synonyms: | CHEMBL2172334 | ||
Type | Small organic molecule | ||
Emp. Form. | C29H35FN6O3 | ||
Mol. Mass. | 534.625 | ||
SMILES | CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCNC(=O)C3)cc12 |r,wU:9.12,6.5,(19.95,-39.16,;18.45,-38.84,;17.97,-37.38,;17.42,-39.99,;15.91,-39.67,;14.88,-40.82,;15.43,-38.21,;13.93,-37.89,;13.45,-36.43,;14.48,-35.29,;15.98,-35.59,;16.46,-37.06,;14,-33.83,;14.9,-32.56,;16.44,-32.56,;17.2,-31.22,;16.42,-29.89,;18.74,-31.21,;19.52,-32.54,;21.05,-32.53,;21.82,-31.19,;23.36,-31.18,;21.03,-29.86,;19.5,-29.87,;13.98,-31.32,;12.51,-31.8,;11.17,-31.04,;9.84,-31.81,;9.84,-33.35,;8.51,-34.12,;7.17,-33.35,;5.84,-34.13,;4.51,-33.35,;4.51,-31.8,;5.85,-31.04,;5.86,-29.5,;7.17,-31.81,;11.18,-34.13,;12.52,-33.35,)| | ||
Structure |