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PubMed code 20667726

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50325039
PNG
(6-(ethyl(1-isobutyl-2-oxo-4-(trifluoromethyl)-1,2-...)
Show SMILES CCN(c1ccc(cn1)C(O)=O)c1ccc2c(cc(=O)n(CC(C)C)c2n1)C(F)(F)F
Show InChI InChI=1S/C21H21F3N4O3/c1-4-27(16-7-5-13(10-25-16)20(30)31)17-8-6-14-15(21(22,23)24)9-18(29)28(11-12(2)3)19(14)26-17/h5-10,12H,4,11H2,1-3H3,(H,30,31)
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Article
PubMed
n/an/an/an/a 1.00E+3n/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Agonist activity at human RXRalpha expressed in human COS7 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 5143-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.011
BindingDB Entry DOI: 10.7270/Q2ZG6SG6
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50325038
PNG
(6-(ethyl(8-ethyl-7-oxo-5-(trifluoromethyl)-7,8-dih...)
Show SMILES CCN(c1ccc(cn1)C(O)=O)c1ccc2c(cc(=O)n(CC)c2n1)C(F)(F)F
Show InChI InChI=1S/C19H17F3N4O3/c1-3-25(14-7-5-11(10-23-14)18(28)29)15-8-6-12-13(19(20,21)22)9-16(27)26(4-2)17(12)24-15/h5-10H,3-4H2,1-2H3,(H,28,29)
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Article
PubMed
n/an/an/an/a 1.00E+3n/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Agonist activity at human RXRalpha expressed in human COS7 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 5143-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.011
BindingDB Entry DOI: 10.7270/Q2ZG6SG6
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50325037
PNG
(6-(ethyl(8-methyl-7-oxo-5-(trifluoromethyl)-7,8-di...)
Show SMILES CCN(c1ccc(cn1)C(O)=O)c1ccc2c(cc(=O)n(C)c2n1)C(F)(F)F
Show InChI InChI=1S/C18H15F3N4O3/c1-3-25(13-6-4-10(9-22-13)17(27)28)14-7-5-11-12(18(19,20)21)8-15(26)24(2)16(11)23-14/h4-9H,3H2,1-2H3,(H,27,28)
PDB
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 1.00E+3n/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Agonist activity at human RXRalpha expressed in human COS7 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 5143-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.011
BindingDB Entry DOI: 10.7270/Q2ZG6SG6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%