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BDBM50448814 CHEMBL3128224

SMILES: COc1ccc(cc1)S(=O)(=O)Nc1cccc(CNc2ncnc3n(CCc4ccccc4)ncc23)c1

InChI Key: InChIKey=RLTOPHQEPYHXEV-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50448814   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50448814
PNG
(CHEMBL3128224)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cccc(CNc2ncnc3n(CCc4ccccc4)ncc23)c1
Show InChI InChI=1S/C27H26N6O3S/c1-36-23-10-12-24(13-11-23)37(34,35)32-22-9-5-8-21(16-22)17-28-26-25-18-31-33(27(25)30-19-29-26)15-14-20-6-3-2-4-7-20/h2-13,16,18-19,32H,14-15,17H2,1H3,(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 5.72E+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