Ki Summary

Reaction Details

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Target

ALK tyrosine kinase receptor

Ligand

BDBM50157641

Substrate/Competitor

n/a

Meas. Tech.

ChEBML_1568746

IC50

18.0±n/a nM

Citation

Zhang, P; Dong, J; Zhong, B; Zhang, D; Yuan, H; Jin, C; Xu, X; Li, H; Zhou, Y; Liang, Z; Ji, M; Xu, T; Song, G; Zhang, L; Chen, G; Meng, X; Sun, D; Shih, J; Zhang, R; Hou, G; Wang, C; Jin, Y; Yang, Q Design and synthesis of novel 3-sulfonylpyrazol-4-amino pyrimidines as potent anaplastic lymphoma kinase (ALK) inhibitors. Bioorg Med Chem Lett26:1910-8 (2016) [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

BDBM50157641

n/a

Name

BDBM50157641

Synonyms:

CHEMBL3787658

Type

Small organic molecule

Emp. Form.

C33H45ClN8O4S

Mol. Mass.

685.28

SMILES

CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)[C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)ncc1Cl |r,wU:28.30,wD:31.37,(-4.74,-11.34,;-3.82,-10.52,;-4.07,-9.32,;-2.36,-11.01,;-2.11,-12.22,;-3.28,-11.83,;-1.21,-9.99,;.3,-10.31,;1.07,-8.98,;2.29,-8.85,;.04,-7.83,;-1.35,-8.47,;-2.68,-7.7,;-2.68,-6.15,;-1.34,-5.39,;-1.34,-3.85,;-0,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.4,1.39,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.46,-.81,;4.69,.52,;,3.08,;-1.33,3.85,;-1.34,5.39,;-0,6.16,;1.33,5.39,;1.33,3.85,;-.01,7.7,;-1.34,8.47,;-1.34,10.01,;-.01,10.78,;1.33,10.01,;1.33,8.47,;-0,12.32,;-1.07,12.94,;1.06,12.94,;-2.67,-3.07,;-4.01,-3.84,;-4.01,-5.38,;-5.08,-5.99,)|

Structure