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BDBM50526305 CHEMBL4557730

SMILES: CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(Cc3ccccc3Br)c2n1)C1CCN(C)CC1

InChI Key: InChIKey=RNXOOIKKTWPAOS-RUZDIDTESA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50526305   
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))		BDBM50526305
PNG
(CHEMBL4557730)
Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(Cc3ccccc3Br)c2n1)C1CCN(C)CC1 |r|
Show InChI InChI=1S/C30H37BrN6O2/c1-5-25-29(38)36(4)26-18-32-30(34-28(26)37(25)19-22-9-7-8-10-23(22)31)33-24-12-11-21(17-27(24)39-6-2)20-13-15-35(3)16-14-20/h7-12,17-18,20,25H,5-6,13-16,19H2,1-4H3,(H,32,33,34)/t25-/m1/s1
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KEGG

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 150n/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