Reaction Details Report a problem with these data
Target
ALK tyrosine kinase receptor
Ligand
BDBM50504102
Substrate
n/a
Meas. Tech.
ChEMBL_1813503 (CHEMBL4313077)
IC50
>1000±n/a nM
Citation
 Wang, Y; Dai, Y; Wu, X; Li, F; Liu, B; Li, C; Liu, Q; Zhou, Y; Wang, B; Zhu, M; Cui, R; Tan, X; Xiong, Z; Liu, J; Tan, M; Xu, Y; Geng, M; Jiang, H; Liu, H; Ai, J; Zheng, M Discovery and Development of a Series of Pyrazolo[3,4- J Med Chem 62:7473-7488 (2019) [PubMed]  Article 
Target
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:
MGAIGLLWLLPLLLSTAAVGSGMGTGQRAGSPAAGPPLQPREPLSYSRLQRKSLAVDFVVPSLFRVYARDLLLPPSSSELKAGRPEARGSLALDCAPLLRLLGPAPGVSWTAGSPAPAEARTLSRVLKGGSVRKLRRAKQLVLELGEEAILEGCVGPPGEAAVGLLQFNLSELFSWWIRQGEGRLRIRLMPEKKASEVGREGRLSAAIRASQPRLLFQIFGTGHSSLESPTNMPSPSPDYFTWNLTWIMKDSFPFLSHRSRYGLECSFDFPCELEYSPPLHDLRNQSWSWRRIPSEEASQMDLLDGPGAERSKEMPRGSFLLLNTSADSKHTILSPWMRSSSEHCTLAVSVHRHLQPSGRYIAQLLPHNEAAREILLMPTPGKHGWTVLQGRIGRPDNPFRVALEYISSGNRSLSAVDFFALKNCSEGTSPGSKMALQSSFTCWNGTVLQLGQACDFHQDCAQGEDESQMCRKLPVGFYCNFEDGFCGWTQGTLSPHTPQWQVRTLKDARFQDHQDHALLLSTTDVPASESATVTSATFPAPIKSSPCELRMSWLIRGVLRGNVSLVLVENKTGKEQGRMVWHVAAYEGLSLWQWMVLPLLDVSDRFWLQMVAWWGQGSRAIVAFDNISISLDCYLTISGEDKILQNTAPKSRNLFERNPNKELKPGENSPRQTPIFDPTVHWLFTTCGASGPHGPTQAQCNNAYQNSNLSVEVGSEGPLKGIQIWKVPATDTYSISGYGAAGGKGGKNTMMRSHGVSVLGIFNLEKDDMLYILVGQQGEDACPSTNQLIQKVCIGENNVIEEEIRVNRSVHEWAGGGGGGGGATYVFKMKDGVPVPLIIAAGGGGRAYGAKTDTFHPERLENNSSVLGLNGNSGAAGGGGGWNDNTSLLWAGKSLQEGATGGHSCPQAMKKWGWETRGGFGGGGGGCSSGGGGGGYIGGNAASNNDPEMDGEDGVSFISPLGILYTPALKVMEGHGEVNIKHYLNCSHCEVDECHMDPESHKVICFCDHGTVLAEDGVSCIVSPTPEPHLPLSLILSVVTSALVAALVLAFSGIMIVYRRKHQELQAMQMELQSPEYKLSKLRTSTIMTDYNPNYCFAGKTSSISDLKEVPRKNITLIRGLGHGAFGEVYEGQVSGMPNDPSPLQVAVKTLPEVCSEQDELDFLMEALIISKFNHQNIVRCIGVSLQSLPRFILLELMAGGDLKSFLRETRPRPSQPSSLAMLDLLHVARDIACGCQYLEENHFIHRDIAARNCLLTCPGPGRVAKIGDFGMARDIYRASYYRKGGCAMLPVKWMPPEAFMEGIFTSKTDTWSFGVLLWEIFSLGYMPYPSKSNQEVLEFVTSGGRMDPPKNCPGPVYRIMTQCWQHQPEDRPNFAIILERIEYCTQDPDVINTALPIEYGPLVEEEEKVPVRPKDPEGVPPLLVSQQAKREEERSPAAPPPLPTTSSGKAAKKPTAAEISVRVPRGPAVEGGHVNMAFSQSNPPSELHKVHGSRNKPTSLWNPTYGSWFTEKPTKKNNPIAKKEPHDRGNLGLEGSCTVPPNVATGRLPGASLLLEPSSLTANMKEVPLFRLRHFPCGNVNYGYQQQGLPLEAATAPGAGHYEDTILKSKNSMNQPGP
  
Inhibitor
Name:
BDBM50504102
Synonyms:
CHEMBL4541330
Type:
Small organic molecule
Emp. Form.:
C25H22N6O3
Mol. Mass.:
454.4806
SMILES:
Cc1c(oc2ccc(C)cc12)-c1n(nc2c1c(N)n[nH]c2=O)-c1ccc(CNC(=O)C=C)cc1 |(28.79,-8.39,;27.54,-7.5,;26.08,-7.98,;25.16,-6.74,;26.06,-5.49,;25.74,-3.99,;26.87,-2.96,;28.34,-3.43,;29.48,-2.39,;28.66,-4.93,;27.53,-5.96,;25.61,-9.44,;26.52,-10.68,;25.62,-11.92,;24.16,-11.46,;24.15,-9.93,;22.82,-9.15,;22.82,-7.61,;21.49,-9.93,;21.49,-11.47,;22.82,-12.23,;22.82,-13.77,;28.05,-10.67,;28.83,-12,;30.37,-11.99,;31.13,-10.65,;32.67,-10.64,;33.45,-11.97,;34.99,-11.96,;35.75,-10.62,;35.77,-13.29,;37.31,-13.28,;30.35,-9.32,;28.81,-9.33,)|
Structure:
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