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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 = 'BDBM50344652'   
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))		BDBM50344652
PNG
(8-(2-(diethylamino)ethoxy)-6,6-dimethyl-3-nitro-5H...)
Show SMILES CCN(CC)CCOc1ccc2C(=O)c3c([nH]c4cc(ccc34)[N+]([O-])=O)C(C)(C)c2c1
Show InChI InChI=1S/C24H27N3O4/c1-5-26(6-2)11-12-31-16-8-10-17-19(14-16)24(3,4)23-21(22(17)28)18-9-7-15(27(29)30)13-20(18)25-23/h7-10,13-14,25H,5-6,11-12H2,1-4H3
PDB

KEGG

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PC cid
PC sid
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Similars
Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ALK assessed as biotin-EGPWLEEEEEAYGWMDF peptide phosphorylation by TR-FRET assay

Bioorg Med Chem Lett 21: 3788-93 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.04.020
BindingDB Entry DOI: 10.7270/Q2Q81DF2
More data for this
Ligand-Target Pair