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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 = 'BDBM50448807'   
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))
BDBM50448807
PNG
(CHEMBL3128233)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1cccc(CNc2ncnc3n(CCc4ccccc4)ncc23)c1
Show InChI InChI=1S/C29H28N6O3/c1-37-25-12-11-22(16-26(25)38-2)29(36)34-23-10-6-9-21(15-23)17-30-27-24-18-33-35(28(24)32-19-31-27)14-13-20-7-4-3-5-8-20/h3-12,15-16,18-19H,13-14,17H2,1-2H3,(H,34,36)(H,30,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.81E+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