Reaction Details | |||
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Target | ALK tyrosine kinase receptor | ||
Ligand | BDBM50396245 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_863887 (CHEMBL2176371) | ||
IC50 | 1.4±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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BDBM50396245 | |||
n/a | |||
Name | BDBM50396245 | ||
Synonyms: | CHEMBL2172306 | ||
Type | Small organic molecule | ||
Emp. Form. | C31H39FN6O3 | ||
Mol. Mass. | 562.6782 | ||
SMILES | CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCC(CC3)C(N)=O)cc12 |r,wU:9.12,6.5,(21.16,-11.25,;19.65,-10.94,;19.17,-9.47,;18.62,-12.08,;17.12,-11.77,;16.09,-12.91,;16.64,-10.3,;15.13,-9.98,;14.65,-8.53,;15.68,-7.38,;17.19,-7.68,;17.67,-9.15,;15.2,-5.92,;16.1,-4.66,;17.64,-4.65,;18.41,-3.31,;17.63,-1.98,;19.95,-3.3,;20.72,-4.63,;22.26,-4.62,;23.02,-3.28,;24.56,-3.27,;22.24,-1.95,;20.7,-1.96,;15.19,-3.41,;13.71,-3.9,;12.38,-3.13,;11.05,-3.9,;11.05,-5.45,;9.71,-6.22,;8.38,-5.45,;8.38,-3.91,;7.05,-3.14,;5.72,-3.9,;5.71,-5.44,;7.04,-6.22,;4.38,-3.12,;4.39,-1.58,;3.04,-3.89,;12.38,-6.22,;13.72,-5.45,)| | ||
Structure |