Ki Summary

Reaction Details

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Target

ALK tyrosine kinase receptor

Ligand

BDBM50396261

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1876839 (CHEMBL4378233)

IC50

3.0±n/a nM

Citation

Kong, X; Pan, P; Sun, H; Xia, H; Wang, X; Li, Y; Hou, T Drug Discovery Targeting Anaplastic Lymphoma Kinase (ALK). J Med Chem62:10927-10954 (2019) [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

BDBM50396261

n/a

Name

BDBM50396261

Synonyms:

CHEMBL2172323

Type

Small organic molecule

Emp. Form.

C28H34N4O3

Mol. Mass.

474.5946

SMILES

COC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccccc2)nc2ccc(CN3CCCCC3)cc12 |r,wU:7.10,4.3,(20.54,-15.02,;22.01,-14.55,;22.33,-13.04,;21.19,-12.01,;23.79,-12.57,;24.12,-11.06,;25.58,-10.59,;26.73,-11.62,;26.41,-13.13,;24.94,-13.6,;28.19,-11.14,;29.43,-12.04,;29.44,-13.58,;30.78,-14.35,;32.11,-13.58,;30.78,-15.89,;29.45,-16.66,;29.45,-18.2,;30.78,-18.97,;32.12,-18.2,;32.12,-16.65,;30.68,-11.14,;30.2,-9.67,;30.97,-8.34,;30.19,-7.01,;28.65,-7.02,;27.86,-5.69,;28.62,-4.35,;30.17,-4.35,;30.93,-3.02,;30.15,-1.68,;28.61,-1.69,;27.84,-3.03,;27.89,-8.36,;28.66,-9.68,)|

Structure