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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM50025774'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50025774
PNG
(CHEMBL3330855)
Show SMILES CCOC(=O)N1CCc2nc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)sc2CC1
Show InChI InChI=1S/C23H27ClN6O4S2/c1-4-34-23(31)30-11-9-16-18(10-12-30)35-22(27-16)29-21-25-13-15(24)20(28-21)26-17-7-5-6-8-19(17)36(32,33)14(2)3/h5-8,13-14H,4,9-12H2,1-3H3,(H2,25,26,27,28,29)
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KEGG

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PC cid
PC sid
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Similars
Article
PubMed
n/an/a 178n/an/an/an/an/an/a



Shanghai Institute of Materia Medica (SIMM)

Curated by ChEMBL


Assay Description
Inhibition of purified ALK (unknown origin) after 60 mins by ELISA kinase assay

Eur J Med Chem 86: 438-48 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.003
BindingDB Entry DOI: 10.7270/Q2G73GBS
More data for this
Ligand-Target Pair