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BDBM50448819 CHEMBL3128218

SMILES: COc1ccc(NC(=O)Nc2cccc(CNc3ncnc4n(CCc5ccccc5)ncc34)c2)cc1OC

InChI Key: InChIKey=ZIELKKFKOMOAFD-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50448819   
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))
BDBM50448819
PNG
(CHEMBL3128218)
Show SMILES COc1ccc(NC(=O)Nc2cccc(CNc3ncnc4n(CCc5ccccc5)ncc34)c2)cc1OC
Show InChI InChI=1S/C29H29N7O3/c1-38-25-12-11-23(16-26(25)39-2)35-29(37)34-22-10-6-9-21(15-22)17-30-27-24-18-33-36(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,30,31,32)(H2,34,35,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.53E+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