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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase receptor Ret ' and Ligand = 'BDBM50448817'   
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
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50448817
PNG
(CHEMBL3128220)
Show SMILES O=S(=O)(Nc1cccc(CNc2ncnc3n(CCc4ccccc4)ncc23)c1)c1ccccc1
Show InChI InChI=1S/C26H24N6O2S/c33-35(34,23-12-5-2-6-13-23)31-22-11-7-10-21(16-22)17-27-25-24-18-30-32(26(24)29-19-28-25)15-14-20-8-3-1-4-9-20/h1-13,16,18-19,31H,14-15,17H2,(H,27,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.90E+3n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human RET incubated for 5 mins with substrate prior to protein addition by fluorescence assay


J Med Chem 57: 1225-35 (2014)


Article DOI: 10.1021/jm401358b
BindingDB Entry DOI: 10.7270/Q2X34ZZP
More data for this
Ligand-Target Pair