Ki Summary

Reaction Details

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Target

ALK tyrosine kinase receptor

Ligand

BDBM50396246

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:

MGAIGLLWLLPLLLSTAAVGSGMGTGQRAGSPAAGPPLQPREPLSYSRLQRKSLAVDFVV
PSLFRVYARDLLLPPSSSELKAGRPEARGSLALDCAPLLRLLGPAPGVSWTAGSPAPAEA
RTLSRVLKGGSVRKLRRAKQLVLELGEEAILEGCVGPPGEAAVGLLQFNLSELFSWWIRQ
GEGRLRIRLMPEKKASEVGREGRLSAAIRASQPRLLFQIFGTGHSSLESPTNMPSPSPDY
FTWNLTWIMKDSFPFLSHRSRYGLECSFDFPCELEYSPPLHDLRNQSWSWRRIPSEEASQ
MDLLDGPGAERSKEMPRGSFLLLNTSADSKHTILSPWMRSSSEHCTLAVSVHRHLQPSGR
YIAQLLPHNEAAREILLMPTPGKHGWTVLQGRIGRPDNPFRVALEYISSGNRSLSAVDFF
ALKNCSEGTSPGSKMALQSSFTCWNGTVLQLGQACDFHQDCAQGEDESQMCRKLPVGFYC
NFEDGFCGWTQGTLSPHTPQWQVRTLKDARFQDHQDHALLLSTTDVPASESATVTSATFP
APIKSSPCELRMSWLIRGVLRGNVSLVLVENKTGKEQGRMVWHVAAYEGLSLWQWMVLPL
LDVSDRFWLQMVAWWGQGSRAIVAFDNISISLDCYLTISGEDKILQNTAPKSRNLFERNP
NKELKPGENSPRQTPIFDPTVHWLFTTCGASGPHGPTQAQCNNAYQNSNLSVEVGSEGPL
KGIQIWKVPATDTYSISGYGAAGGKGGKNTMMRSHGVSVLGIFNLEKDDMLYILVGQQGE
DACPSTNQLIQKVCIGENNVIEEEIRVNRSVHEWAGGGGGGGGATYVFKMKDGVPVPLII
AAGGGGRAYGAKTDTFHPERLENNSSVLGLNGNSGAAGGGGGWNDNTSLLWAGKSLQEGA
TGGHSCPQAMKKWGWETRGGFGGGGGGCSSGGGGGGYIGGNAASNNDPEMDGEDGVSFIS
PLGILYTPALKVMEGHGEVNIKHYLNCSHCEVDECHMDPESHKVICFCDHGTVLAEDGVS
CIVSPTPEPHLPLSLILSVVTSALVAALVLAFSGIMIVYRRKHQELQAMQMELQSPEYKL
SKLRTSTIMTDYNPNYCFAGKTSSISDLKEVPRKNITLIRGLGHGAFGEVYEGQVSGMPN
DPSPLQVAVKTLPEVCSEQDELDFLMEALIISKFNHQNIVRCIGVSLQSLPRFILLELMA
GGDLKSFLRETRPRPSQPSSLAMLDLLHVARDIACGCQYLEENHFIHRDIAARNCLLTCP
GPGRVAKIGDFGMARDIYRASYYRKGGCAMLPVKWMPPEAFMEGIFTSKTDTWSFGVLLW
EIFSLGYMPYPSKSNQEVLEFVTSGGRMDPPKNCPGPVYRIMTQCWQHQPEDRPNFAIIL
ERIEYCTQDPDVINTALPIEYGPLVEEEEKVPVRPKDPEGVPPLLVSQQAKREEERSPAA
PPPLPTTSSGKAAKKPTAAEISVRVPRGPAVEGGHVNMAFSQSNPPSELHKVHGSRNKPT
SLWNPTYGSWFTEKPTKKNNPIAKKEPHDRGNLGLEGSCTVPPNVATGRLPGASLLLEPS
SLTANMKEVPLFRLRHFPCGNVNYGYQQQGLPLEAATAPGAGHYEDTILKSKNSMNQPGP

BDBM50396246

n/a

Name

BDBM50396246

Synonyms:

CHEMBL2172305

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(CN3CCC(CC3)C(O)=O)cc12 |r,wU:9.12,6.5,(45.25,-54.5,;43.75,-54.18,;43.27,-52.72,;42.72,-55.33,;41.21,-55.01,;40.18,-56.15,;40.73,-53.54,;39.23,-53.23,;38.75,-51.77,;39.78,-50.62,;41.28,-50.93,;41.76,-52.4,;39.3,-49.16,;40.2,-47.9,;41.74,-47.89,;42.5,-46.55,;41.72,-45.23,;44.04,-46.55,;44.82,-47.87,;46.35,-47.87,;47.12,-46.53,;48.66,-46.51,;46.33,-45.19,;44.8,-45.21,;39.28,-46.65,;37.81,-47.14,;36.47,-46.38,;35.14,-47.15,;35.14,-48.69,;33.81,-49.46,;32.47,-48.69,;32.47,-47.15,;31.15,-46.38,;29.81,-47.14,;29.81,-48.68,;31.14,-49.46,;28.48,-46.36,;28.48,-44.82,;27.14,-47.13,;36.48,-49.46,;37.82,-48.69,)|

Structure