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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 = 'BDBM50193820'   
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))		BDBM50193820
PNG
(CHEMBL3943066)
Show SMILES COc1ccccc1Nc1nc(Nc2ccc3CC(CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl
Show InChI InChI=1S/C29H37ClN6O3/c1-38-26-9-4-3-8-24(26)32-28-23(30)19-31-29(34-28)33-25-11-10-20-18-21(6-5-7-22(20)27(25)39-2)36-14-12-35(13-15-36)16-17-37/h3-4,8-11,19,21,37H,5-7,12-18H2,1-2H3,(H2,31,32,33,34)
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Similars
Article
PubMed
n/an/a 44n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m...

J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair