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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 = 'BDBM50448809'   
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))
BDBM50448809
PNG
(CHEMBL3128231)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3n(CCc4ccccc4)ncc23)c1
Show InChI InChI=1S/C27H23N7O3/c35-27(21-9-11-23(12-10-21)34(36)37)32-22-8-4-7-20(15-22)16-28-25-24-17-31-33(26(24)30-18-29-25)14-13-19-5-2-1-3-6-19/h1-12,15,17-18H,13-14,16H2,(H,32,35)(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 1.71E+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