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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 3231   
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
Estrogen-Related Receptor, gamma


(Homo sapiens (Human))
BDBM20608
PNG
(4-Hydroxytamoxifen | 4-Hydroxytamoxifen (9) | 4-[(...)
Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
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Article
PubMed
n/an/a 10.3n/an/an/an/a7.425



Kyushu University



Assay Description
The receptor-binding assay was conducted using [3H]4-hydroxytamoxifen (4-OHT) as the radioligand. To estimate the binding affinity, the IC50 values (...


Biochem Biophys Res Commun 373: 408-13 (2008)


Article DOI: 10.1016/j.bbrc.2008.06.050
BindingDB Entry DOI: 10.7270/Q22R3Q0N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen-Related Receptor, gamma


(Homo sapiens (Human))
BDBM29608
PNG
(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)
Show SMILES CC(C)(c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3
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Article
PubMed
n/an/a 13.1n/an/an/an/a7.425



Kyushu University



Assay Description
The receptor-binding assay was conducted using [3H]4-hydroxytamoxifen (4-OHT) as the radioligand. To estimate the binding affinity, the IC50 values (...


Biochem Biophys Res Commun 373: 408-13 (2008)


Article DOI: 10.1016/j.bbrc.2008.06.050
BindingDB Entry DOI: 10.7270/Q22R3Q0N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen-Related Receptor, gamma


(Homo sapiens (Human))
BDBM29609
PNG
(4-alpha-Cumylphenol | 4-cumylphenol | US9688816, B)
Show SMILES CC(C)(c1ccccc1)c1ccc(O)cc1
Show InChI InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3
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Article
PubMed
n/an/a 13.9n/an/an/an/a7.425



Kyushu University



Assay Description
The receptor-binding assay was conducted using [3H]4-hydroxytamoxifen (4-OHT) as the radioligand. To estimate the binding affinity, the IC50 values (...


Biochem Biophys Res Commun 373: 408-13 (2008)


Article DOI: 10.1016/j.bbrc.2008.06.050
BindingDB Entry DOI: 10.7270/Q22R3Q0N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen-Related Receptor, gamma


(Homo sapiens (Human))
BDBM29610
PNG
(2,2-Diphenylpropane)
Show SMILES CC(C)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H16/c1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/a7.425



Kyushu University



Assay Description
The receptor-binding assay was conducted using [3H]4-hydroxytamoxifen (4-OHT) as the radioligand. To estimate the binding affinity, the IC50 values (...


Biochem Biophys Res Commun 373: 408-13 (2008)


Article DOI: 10.1016/j.bbrc.2008.06.050
BindingDB Entry DOI: 10.7270/Q22R3Q0N
More data for this
Ligand-Target Pair
3D
3D Structure (docked)