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SMILES: CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(Cc3scnc3C)c2n1)C1CCN(C)CC1

InChI Key: InChIKey=BLHAYQINYVYFNB-JOCHJYFZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50526308   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50526308
PNG
(CHEMBL4549308)
Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(Cc3scnc3C)c2n1)C1CCN(C)CC1 |r|
Show InChI InChI=1S/C28H37N7O2S/c1-6-22-27(36)34(5)23-15-29-28(32-26(23)35(22)16-25-18(3)30-17-38-25)31-21-9-8-20(14-24(21)37-7-2)19-10-12-33(4)13-11-19/h8-9,14-15,17,19,22H,6-7,10-13,16H2,1-5H3,(H,29,31,32)/t22-/m1/s1
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PC cid
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Article
PubMed
n/an/a 370n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Displacement of kinase tracer 236 from human N-terminal GST-tagged ALK F1174L mutant (1058 to 1620 residues) after 60 mins by LanthaScreen Eu--kinase...

J Med Chem 62: 2618-2637 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01947
More data for this
Ligand-Target Pair