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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 = 'BDBM50448813'   
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))
BDBM50448813
PNG
(CHEMBL3128226)
Show SMILES O=S(=O)(Cc1ccccc1)Nc1cccc(CNc2ncnc3n(CCc4ccccc4)ncc23)c1
Show InChI InChI=1S/C27H26N6O2S/c34-36(35,19-22-10-5-2-6-11-22)32-24-13-7-12-23(16-24)17-28-26-25-18-31-33(27(25)30-20-29-26)15-14-21-8-3-1-4-9-21/h1-13,16,18,20,32H,14-15,17,19H2,(H,28,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.86E+4n/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