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Compile Data Set for Download or QSAR

Found 2 hits of kd for monomerid = 18862   
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
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM18862
PNG
(2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]ac...)
Show SMILES OC(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1
Show InChI InChI=1S/C14H9I3O4/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20/h1-4,6,18H,5H2,(H,19,20)
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PC cid
PC sid
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Article
PubMed
n/an/an/a 200n/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Binding affinity to recombinant PPARgamma LBD (unknown origin) by isothermal titration calorimetry


J Med Chem 63: 6727-6740 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02150
BindingDB Entry DOI: 10.7270/Q23N26ZW
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM18862
PNG
(2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]ac...)
Show SMILES OC(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1
Show InChI InChI=1S/C14H9I3O4/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20/h1-4,6,18H,5H2,(H,19,20)
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KEGG

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CHEMBL
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PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/an/a 1.32E+3n/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Binding affinity to RXRalpha LBD (unknown origin) by isothermal titration calorimetry


J Med Chem 63: 6727-6740 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02150
BindingDB Entry DOI: 10.7270/Q23N26ZW
More data for this
Ligand-Target Pair