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BDBM50448808 CHEMBL3128232

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

InChI Key: InChIKey=AGEHOTOFGDAQHB-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50448808   
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))
BDBM50448808
PNG
(CHEMBL3128232)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3n(CCc4ccccc4)ncc23)c1
Show InChI InChI=1S/C28H26N6O2/c1-36-24-12-10-22(11-13-24)28(35)33-23-9-5-8-21(16-23)17-29-26-25-18-32-34(27(25)31-19-30-26)15-14-20-6-3-2-4-7-20/h2-13,16,18-19H,14-15,17H2,1H3,(H,33,35)(H,29,30,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.41E+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