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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium/iodide cotransporter' and Ligand = 'BDBM50430686'   
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
Sodium/iodide cotransporter


(Rattus norvegicus)
BDBM50430686
PNG
(CHEMBL2333506)
Show SMILES COc1ccc(COC(=O)C2[C@@H](NC(=O)N=C2C)c2ccccc2)cc1 |r,c:15|
Show InChI InChI=1S/C20H20N2O4/c1-13-17(18(22-20(24)21-13)15-6-4-3-5-7-15)19(23)26-12-14-8-10-16(25-2)11-9-14/h3-11,17-18H,12H2,1-2H3,(H,22,24)/t17?,18-/m0/s1
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PC cid
PC sid
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Article
PubMed
n/an/a 89n/an/an/an/an/an/a



Institut de Biologie et de Technologies de Saclay (iBiTecS)

Curated by ChEMBL


Assay Description
inhibition of sodium iodide symporter in rat FRTL5 cells after 1 hr by arsenic/cerium titration assay


Eur J Med Chem 62: 722-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.043
BindingDB Entry DOI: 10.7270/Q2MS3V4D
More data for this
Ligand-Target Pair
Sodium/iodide cotransporter


(Rattus norvegicus)
BDBM50430686
PNG
(CHEMBL2333506)
Show SMILES COc1ccc(COC(=O)C2[C@@H](NC(=O)N=C2C)c2ccccc2)cc1 |r,c:15|
Show InChI InChI=1S/C20H20N2O4/c1-13-17(18(22-20(24)21-13)15-6-4-3-5-7-15)19(23)26-12-14-8-10-16(25-2)11-9-14/h3-11,17-18H,12H2,1-2H3,(H,22,24)/t17?,18-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Institut de Biologie et de Technologies de Saclay (iBiTecS)

Curated by ChEMBL


Assay Description
inhibition of sodium iodide symporter in rat FRTL5 cells after 1 hr by arsenic/cerium titration assay


Eur J Med Chem 62: 722-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.043
BindingDB Entry DOI: 10.7270/Q2MS3V4D
More data for this
Ligand-Target Pair