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BDBM50349147 CHEMBL1807720

SMILES: CNCc1cncc(c1)-c1cnc2[nH]nc(-c3nc4cc5OC(F)(F)Oc5cc4[nH]3)c2c1

InChI Key: InChIKey=UTSGLAYQPMRERS-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50349147   
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))
BDBM50349147
PNG
(CHEMBL1807720)
Show SMILES CNCc1cncc(c1)-c1cnc2[nH]nc(-c3nc4cc5OC(F)(F)Oc5cc4[nH]3)c2c1
Show InChI InChI=1S/C21H15F2N7O2/c1-24-6-10-2-11(8-25-7-10)12-3-13-18(29-30-19(13)26-9-12)20-27-14-4-16-17(5-15(14)28-20)32-21(22,23)31-16/h2-5,7-9,24H,6H2,1H3,(H,27,28)(H,26,29,30)
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MMDB

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Article
PubMed
n/an/a 218n/an/an/an/an/an/a



National Tsing Hua University

Curated by ChEMBL


Assay Description
Inhibition of RET kinase


Bioorg Med Chem Lett 21: 4490-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.003
BindingDB Entry DOI: 10.7270/Q2BV7H06
More data for this
Ligand-Target Pair