Reaction Details | |||
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Target | ALK tyrosine kinase receptor | ||
Ligand | BDBM50396262 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_863883 (CHEMBL2176367) | ||
IC50 | 48±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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BDBM50396262 | |||
n/a | |||
Name | BDBM50396262 | ||
Synonyms: | CHEMBL2172322 | ||
Type | Small organic molecule | ||
Emp. Form. | C30H39N5O4S | ||
Mol. Mass. | 565.727 | ||
SMILES | OC[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cccc(c2)S(=O)(=O)NCC=C)nc2cc(CN3CCCCC3)ccc12 |r,wU:5.8,2.1,(2.29,-8.47,;3.44,-9.5,;4.9,-9.03,;5.23,-7.52,;6.69,-7.05,;7.84,-8.08,;7.52,-9.59,;6.05,-10.06,;9.3,-7.6,;10.54,-8.5,;10.55,-10.04,;11.88,-10.81,;13.21,-10.04,;11.89,-12.35,;13.22,-13.11,;13.23,-14.66,;11.89,-15.44,;10.56,-14.67,;10.56,-13.12,;9.22,-15.43,;9.98,-16.76,;8.45,-16.76,;7.89,-14.66,;6.56,-15.43,;5.22,-14.66,;3.89,-15.43,;11.79,-7.6,;11.31,-6.13,;12.07,-4.8,;11.3,-3.47,;12.06,-2.13,;13.6,-2.12,;14.38,-3.47,;15.91,-3.46,;16.68,-2.13,;15.9,-.79,;14.36,-.8,;9.75,-3.48,;9,-4.82,;9.77,-6.14,)| | ||
Structure |