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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 = 'BDBM50344658'   
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))
BDBM50344658
PNG
(6,6-dimethyl-11-oxo-8-(piperidin-1-yl)-6,11-dihydr...)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)N1CCCCC1)C#N
Show InChI InChI=1S/C24H23N3O/c1-24(2)19-13-16(27-10-4-3-5-11-27)7-9-17(19)22(28)21-18-8-6-15(14-25)12-20(18)26-23(21)24/h6-9,12-13,26H,3-5,10-11H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 33.4n/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