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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 = 'BDBM50025757'   
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))		BDBM50025757
PNG
(CHEMBL3330861)
Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2nc3CCNCc3s2)ncc1Cl
Show InChI InChI=1S/C19H21ClN6O2S2/c1-11(2)30(27,28)16-6-4-3-5-14(16)23-17-12(20)9-22-18(25-17)26-19-24-13-7-8-21-10-15(13)29-19/h3-6,9,11,21H,7-8,10H2,1-2H3,(H2,22,23,24,25,26)
PDB

KEGG

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PC cid
PC sid
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Similars
Article
PubMed
n/an/a>1.00E+3n/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