Reaction Details | |||
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Target | ALK tyrosine kinase receptor | ||
Ligand | BDBM50396250 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_863887 (CHEMBL2176371) | ||
IC50 | 1.6±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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BDBM50396250 | |||
n/a | |||
Name | BDBM50396250 | ||
Synonyms: | CHEMBL2172333 | ||
Type | Small organic molecule | ||
Emp. Form. | C29H37FN6O2 | ||
Mol. Mass. | 520.6415 | ||
SMILES | CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCNCC3)cc12 |r,wU:9.12,6.5,(43.23,-26.31,;41.73,-25.99,;41.25,-24.53,;40.7,-27.14,;39.19,-26.82,;38.16,-27.97,;38.71,-25.36,;37.2,-25.04,;36.73,-23.58,;37.76,-22.44,;39.26,-22.74,;39.74,-24.21,;37.27,-20.98,;38.18,-19.72,;39.72,-19.71,;40.48,-18.37,;39.7,-17.04,;42.02,-18.36,;42.79,-19.69,;44.33,-19.68,;45.1,-18.34,;46.64,-18.33,;44.31,-17.01,;42.77,-17.02,;37.26,-18.47,;35.79,-18.95,;34.45,-18.19,;33.12,-18.96,;33.12,-20.51,;31.79,-21.27,;30.45,-20.5,;30.46,-18.96,;29.14,-18.19,;27.8,-18.96,;27.79,-20.5,;29.13,-21.28,;34.45,-21.28,;35.8,-20.51,)| | ||
Structure |