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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 = 'BDBM50393616'   
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))
BDBM50393616
PNG
(CHEMBL2158525)
Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCN(CCO)CC1
Show InChI InChI=1S/C28H34N6O4S/c1-32(39(3,36)37)25-7-5-4-6-23(25)26-11-9-22-19-29-28(31-34(22)26)30-24-10-8-21(18-27(24)38-2)20-12-14-33(15-13-20)16-17-35/h4-11,18-20,35H,12-17H2,1-3H3,(H,30,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra...


J Med Chem 55: 115-25 (2012)


Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3
More data for this
Ligand-Target Pair