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Compile Data Set for Download or QSAR

Found 64 hits from Daegu-Gyeongbuk Medical Innovation Foundation   
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
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193253
PNG
(CHEMBL3961676)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCF)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C27H30FNO2.ClH/c1-29(2)19-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-18-28)21-7-4-3-5-8-21;/h3-5,7-8,10-17,30H,6,9,18-20H2,1-2H3;1H/b27-26-;
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n/an/a 20n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50193253
PNG
(CHEMBL3961676)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCF)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C27H30FNO2.ClH/c1-29(2)19-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-18-28)21-7-4-3-5-8-21;/h3-5,7-8,10-17,30H,6,9,18-20H2,1-2H3;1H/b27-26-;
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n/an/a 20n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to ERalpha (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193253
PNG
(CHEMBL3961676)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCF)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C27H30FNO2.ClH/c1-29(2)19-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-18-28)21-7-4-3-5-8-21;/h3-5,7-8,10-17,30H,6,9,18-20H2,1-2H3;1H/b27-26-;
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n/an/a 48n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inverse agonist activity at ERRgamma (unknown origin) expressed in human AD293 cells after 24 hrs by beta-galactosidase/luciferase reporter gene assa...


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193250
PNG
(CHEMBL3897416)
Show SMILES Cl.CN(C)CCCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C28H33NO3.ClH/c1-29(2)19-7-21-32-26-17-13-24(14-18-26)28(23-11-15-25(31)16-12-23)27(10-6-20-30)22-8-4-3-5-9-22;/h3-5,8-9,11-18,30-31H,6-7,10,19-21H2,1-2H3;1H/b28-27-;
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n/an/a 58n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inverse agonist activity at ERRgamma (unknown origin) expressed in human AD293 cells after 24 hrs by beta-galactosidase/luciferase reporter gene assa...


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM22435
PNG
(4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hy...)
Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C27H31NO3/c1-28(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-19-29)21-7-4-3-5-8-21/h3-5,7-8,10-17,29-30H,6,9,18-20H2,1-2H3/b27-26-
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n/an/a 77n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inverse agonist activity at ERRgamma (unknown origin) expressed in human AD293 cells after 24 hrs by beta-galactosidase/luciferase reporter gene assa...


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193252
PNG
(CHEMBL3957546)
Show SMILES Cl.CCN(CC)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C29H35NO3.ClH/c1-3-30(4-2)20-22-33-27-18-14-25(15-19-27)29(24-12-16-26(32)17-13-24)28(11-8-21-31)23-9-6-5-7-10-23;/h5-7,9-10,12-19,31-32H,3-4,8,11,20-22H2,1-2H3;1H/b29-28-;
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n/an/a 79n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inverse agonist activity at ERRgamma (unknown origin) expressed in human AD293 cells after 24 hrs by beta-galactosidase/luciferase reporter gene assa...


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193250
PNG
(CHEMBL3897416)
Show SMILES Cl.CN(C)CCCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C28H33NO3.ClH/c1-29(2)19-7-21-32-26-17-13-24(14-18-26)28(23-11-15-25(31)16-12-23)27(10-6-20-30)22-8-4-3-5-9-22;/h3-5,8-9,11-18,30-31H,6-7,10,19-21H2,1-2H3;1H/b28-27-;
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n/an/a 90n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM22435
PNG
(4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hy...)
Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C27H31NO3/c1-28(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-19-29)21-7-4-3-5-8-21/h3-5,7-8,10-17,29-30H,6,9,18-20H2,1-2H3/b27-26-
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n/an/a 110n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193262
PNG
(CHEMBL3956562)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCC(F)F)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C27H29F2NO2.ClH/c1-30(2)18-19-32-24-14-10-22(11-15-24)27(21-8-12-23(31)13-9-21)25(16-17-26(28)29)20-6-4-3-5-7-20;/h3-15,26,31H,16-19H2,1-2H3;1H/b27-25-;
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n/an/a 111n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inverse agonist activity at ERRgamma (unknown origin) expressed in human AD293 cells after 24 hrs by beta-galactosidase/luciferase reporter gene assa...


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193251
PNG
(CHEMBL3978054)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(Br)cc1
Show InChI InChI=1S/C27H30BrNO2.ClH/c1-29(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(28)15-11-22)26(9-6-19-30)21-7-4-3-5-8-21;/h3-5,7-8,10-17,30H,6,9,18-20H2,1-2H3;1H/b27-26-;
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n/an/a 117n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193252
PNG
(CHEMBL3957546)
Show SMILES Cl.CCN(CC)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C29H35NO3.ClH/c1-3-30(4-2)20-22-33-27-18-14-25(15-19-27)29(24-12-16-26(32)17-13-24)28(11-8-21-31)23-9-6-5-7-10-23;/h5-7,9-10,12-19,31-32H,3-4,8,11,20-22H2,1-2H3;1H/b29-28-;
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n/an/a 180n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193264
PNG
(CHEMBL3968559)
Show SMILES Cl.CNCCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C26H29NO3.ClH/c1-27-17-19-30-24-15-11-22(12-16-24)26(21-9-13-23(29)14-10-21)25(8-5-18-28)20-6-3-2-4-7-20;/h2-4,6-7,9-16,27-29H,5,8,17-19H2,1H3;1H/b26-25-;
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n/an/a 187n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inverse agonist activity at ERRgamma (unknown origin) expressed in human AD293 cells after 24 hrs by beta-galactosidase/luciferase reporter gene assa...


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193264
PNG
(CHEMBL3968559)
Show SMILES Cl.CNCCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C26H29NO3.ClH/c1-27-17-19-30-24-15-11-22(12-16-24)26(21-9-13-23(29)14-10-21)25(8-5-18-28)20-6-3-2-4-7-20;/h2-4,6-7,9-16,27-29H,5,8,17-19H2,1H3;1H/b26-25-;
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n/an/a 190n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193255
PNG
(CHEMBL3973526)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(C)cc1
Show InChI InChI=1S/C28H33NO2.ClH/c1-22-11-13-24(14-12-22)28(27(10-7-20-30)23-8-5-4-6-9-23)25-15-17-26(18-16-25)31-21-19-29(2)3;/h4-6,8-9,11-18,30H,7,10,19-21H2,1-3H3;1H/b28-27-;
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Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193263
PNG
(CHEMBL3891326)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCF)c1ccccc1)\c1ccc(Br)cc1
Show InChI InChI=1S/C27H29BrFNO.ClH/c1-30(2)19-20-31-25-16-12-23(13-17-25)27(22-10-14-24(28)15-11-22)26(9-6-18-29)21-7-4-3-5-8-21;/h3-5,7-8,10-17H,6,9,18-20H2,1-2H3;1H/b27-26-;
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n/an/a 480n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193262
PNG
(CHEMBL3956562)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCC(F)F)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C27H29F2NO2.ClH/c1-30(2)18-19-32-24-14-10-22(11-15-24)27(21-8-12-23(31)13-9-21)25(16-17-26(28)29)20-6-4-3-5-7-20;/h3-15,26,31H,16-19H2,1-2H3;1H/b27-25-;
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Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50176956
PNG
(CHEMBL3815164)
Show SMILES CC(C)[C@H](NC(=O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@H](C)NC=O)C(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CS(O)(=O)=O)C(=O)N[C@H]1[C@@H](C)OC(=O)CN(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)N(C)C1=O)[C@@H](C)O
Show InChI InChI=1S/C78H109BrN20O22S/c1-39(2)61(94-73(113)62(40(3)4)93-71(111)57-22-16-30-99(57)76(116)53(90-65(105)41(5)86-38-100)32-45-23-25-47(79)26-24-45)72(112)89-52(33-46-35-85-49-20-14-13-19-48(46)49)67(107)87-50(21-15-29-84-78(82)83)66(106)92-55(37-122(118,119)120)69(109)96-64-43(7)121-60(104)36-97(8)75(115)54(34-59(81)103)91-74(114)63(42(6)101)95-68(108)51(31-44-17-11-10-12-18-44)88-70(110)56(27-28-58(80)102)98(9)77(64)117/h10-14,17-20,23-26,35,38-43,50-57,61-64,85,101H,15-16,21-22,27-34,36-37H2,1-9H3,(H2,80,102)(H2,81,103)(H,86,100)(H,87,107)(H,88,110)(H,89,112)(H,90,105)(H,91,114)(H,92,106)(H,93,111)(H,94,113)(H,95,108)(H,96,109)(H4,82,83,84)(H,118,119,120)/t41-,42-,43-,50+,51-,52-,53+,54+,55-,56+,57+,61+,62-,63+,64+/m1/s1
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n/an/a 500n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at human FXR expressed in CV-1 cells assessed as inhibition of CDCA-induced receptor transactivation after 24 hrs by luciferase r...


J Nat Prod 79: 499-506 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00871
BindingDB Entry DOI: 10.7270/Q2KD20V0
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193273
PNG
(CHEMBL3982516)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1cccc(F)c1)\c1ccc(C)cc1
Show InChI InChI=1S/C28H32FNO2.ClH/c1-21-9-11-22(12-10-21)28(23-13-15-26(16-14-23)32-19-17-30(2)3)27(8-5-18-31)24-6-4-7-25(29)20-24;/h4,6-7,9-16,20,31H,5,8,17-19H2,1-3H3;1H/b28-27-;
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n/an/a 500n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193266
PNG
(CHEMBL3940124)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(Cl)cc1
Show InChI InChI=1S/C27H30ClNO2.ClH/c1-29(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(28)15-11-22)26(9-6-19-30)21-7-4-3-5-8-21;/h3-5,7-8,10-17,30H,6,9,18-20H2,1-2H3;1H/b27-26-;
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n/an/a 520n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193255
PNG
(CHEMBL3973526)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(C)cc1
Show InChI InChI=1S/C28H33NO2.ClH/c1-22-11-13-24(14-12-22)28(27(10-7-20-30)23-8-5-4-6-9-23)25-15-17-26(18-16-25)31-21-19-29(2)3;/h4-6,8-9,11-18,30H,7,10,19-21H2,1-3H3;1H/b28-27-;
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n/an/a 669n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inverse agonist activity at ERRgamma (unknown origin) expressed in human AD293 cells after 24 hrs by beta-galactosidase/luciferase reporter gene assa...


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193251
PNG
(CHEMBL3978054)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(Br)cc1
Show InChI InChI=1S/C27H30BrNO2.ClH/c1-29(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(28)15-11-22)26(9-6-19-30)21-7-4-3-5-8-21;/h3-5,7-8,10-17,30H,6,9,18-20H2,1-2H3;1H/b27-26-;
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n/an/a 719n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inverse agonist activity at ERRgamma (unknown origin) expressed in human AD293 cells after 24 hrs by beta-galactosidase/luciferase reporter gene assa...


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR2


(Homo sapiens)
BDBM50193253
PNG
(CHEMBL3961676)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCF)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C27H30FNO2.ClH/c1-29(2)19-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-18-28)21-7-4-3-5-8-21;/h3-5,7-8,10-17,30H,6,9,18-20H2,1-2H3;1H/b27-26-;
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n/an/a 722n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to ERRbeta (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50193252
PNG
(CHEMBL3957546)
Show SMILES Cl.CCN(CC)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C29H35NO3.ClH/c1-3-30(4-2)20-22-33-27-18-14-25(15-19-27)29(24-12-16-26(32)17-13-24)28(11-8-21-31)23-9-6-5-7-10-23;/h5-7,9-10,12-19,31-32H,3-4,8,11,20-22H2,1-2H3;1H/b29-28-;
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n/an/a 875n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to ERalpha (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193269
PNG
(CHEMBL3965511)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCC(F)F)c1ccccc1)\c1ccc(Br)cc1
Show InChI InChI=1S/C27H28BrF2NO.ClH/c1-31(2)18-19-32-24-14-10-22(11-15-24)27(21-8-12-23(28)13-9-21)25(16-17-26(29)30)20-6-4-3-5-7-20;/h3-15,26H,16-19H2,1-2H3;1H/b27-25-;
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n/an/a 890n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50193250
PNG
(CHEMBL3897416)
Show SMILES Cl.CN(C)CCCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C28H33NO3.ClH/c1-29(2)19-7-21-32-26-17-13-24(14-18-26)28(23-11-15-25(31)16-12-23)27(10-6-20-30)22-8-4-3-5-9-22;/h3-5,8-9,11-18,30-31H,6-7,10,19-21H2,1-2H3;1H/b28-27-;
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n/an/a 990n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to ERalpha (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193256
PNG
(CHEMBL3893563)
Show SMILES Cl.COc1ccc(cc1)C(=C(/CCCO)c1ccccc1)\c1ccc(OCCN(C)C)cc1
Show InChI InChI=1S/C28H33NO3.ClH/c1-29(2)19-21-32-26-17-13-24(14-18-26)28(23-11-15-25(31-3)16-12-23)27(10-7-20-30)22-8-5-4-6-9-22;/h4-6,8-9,11-18,30H,7,10,19-21H2,1-3H3;1H/b28-27-;
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n/an/a 1.00E+3n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193258
PNG
(CHEMBL3953814)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1cccc(F)c1)\c1ccc(Br)cc1
Show InChI InChI=1S/C27H29BrFNO2.ClH/c1-30(2)16-18-32-25-14-10-21(11-15-25)27(20-8-12-23(28)13-9-20)26(7-4-17-31)22-5-3-6-24(29)19-22;/h3,5-6,8-15,19,31H,4,7,16-18H2,1-2H3;1H/b27-26-;
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n/an/a 1.10E+3n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193270
PNG
(CHEMBL3904163)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H30F3NO2.ClH/c1-32(2)18-20-34-25-16-12-23(13-17-25)27(22-10-14-24(15-11-22)28(29,30)31)26(9-6-19-33)21-7-4-3-5-8-21;/h3-5,7-8,10-17,33H,6,9,18-20H2,1-2H3;1H/b27-26-;
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n/an/a 1.30E+3n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193249
PNG
(CHEMBL3986248)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccccc1
Show InChI InChI=1S/C27H31NO2.ClH/c1-28(2)19-21-30-25-17-15-24(16-18-25)27(23-12-7-4-8-13-23)26(14-9-20-29)22-10-5-3-6-11-22;/h3-8,10-13,15-18,29H,9,14,19-21H2,1-2H3;1H/b27-26-;
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n/an/a 1.50E+3n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50193262
PNG
(CHEMBL3956562)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCC(F)F)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C27H29F2NO2.ClH/c1-30(2)18-19-32-24-14-10-22(11-15-24)27(21-8-12-23(31)13-9-21)25(16-17-26(28)29)20-6-4-3-5-7-20;/h3-15,26,31H,16-19H2,1-2H3;1H/b27-25-;
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n/an/a 1.70E+3n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to ERalpha (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM22435
PNG
(4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hy...)
Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C27H31NO3/c1-28(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-19-29)21-7-4-3-5-8-21/h3-5,7-8,10-17,29-30H,6,9,18-20H2,1-2H3/b27-26-
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n/an/a 2.00E+3n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to ERalpha (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50193264
PNG
(CHEMBL3968559)
Show SMILES Cl.CNCCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C26H29NO3.ClH/c1-27-17-19-30-24-15-11-22(12-16-24)26(21-9-13-23(29)14-10-21)25(8-5-18-28)20-6-3-2-4-7-20;/h2-4,6-7,9-16,27-29H,5,8,17-19H2,1H3;1H/b26-25-;
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n/an/a 3.34E+3n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to ERalpha (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193265
PNG
(CHEMBL3969681)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(F)cc1
Show InChI InChI=1S/C27H30FNO2.ClH/c1-29(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(28)15-11-22)26(9-6-19-30)21-7-4-3-5-8-21;/h3-5,7-8,10-17,30H,6,9,18-20H2,1-2H3;1H/b27-26-;
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n/an/a 3.90E+3n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50176910
PNG
(CHEMBL3814608)
Show SMILES CC(C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@H](C)NC=O)C(=O)N[C@H](C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CS(O)(=O)=O)C(=O)N[C@H]1[C@@H](C)OC(=O)CN(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)N(C)C1=O)[C@@H](C)O)C(C)(C)C
Show InChI InChI=1S/C79H111BrN20O22S/c1-40(2)61(94-71(112)57-23-17-31-100(57)76(117)53(91-65(106)41(3)87-39-101)33-45-24-26-47(80)27-25-45)72(113)97-64(79(6,7)8)74(115)90-52(34-46-36-86-49-21-15-14-20-48(46)49)67(108)88-50(22-16-30-85-78(83)84)66(107)93-55(38-123(119,120)121)69(110)96-63-43(5)122-60(105)37-98(9)75(116)54(35-59(82)104)92-73(114)62(42(4)102)95-68(109)51(32-44-18-12-11-13-19-44)89-70(111)56(28-29-58(81)103)99(10)77(63)118/h11-15,18-21,24-27,36,39-43,50-57,61-64,86,102H,16-17,22-23,28-35,37-38H2,1-10H3,(H2,81,103)(H2,82,104)(H,87,101)(H,88,108)(H,89,111)(H,90,115)(H,91,106)(H,92,114)(H,93,107)(H,94,112)(H,95,109)(H,96,110)(H,97,113)(H4,83,84,85)(H,119,120,121)/t41-,42-,43-,50+,51-,52-,53+,54+,55-,56+,57+,61-,62+,63+,64-/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at human FXR expressed in CV-1 cells assessed as inhibition of CDCA-induced receptor transactivation after 24 hrs by luciferase r...


J Nat Prod 79: 499-506 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00871
BindingDB Entry DOI: 10.7270/Q2KD20V0
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193275
PNG
(CHEMBL3952876)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccc2cnn(C)c2c1)\c1ccc(Br)cc1
Show InChI InChI=1S/C29H32BrN3O2.ClH/c1-32(2)16-18-35-26-14-10-22(11-15-26)29(21-8-12-25(30)13-9-21)27(5-4-17-34)23-6-7-24-20-31-33(3)28(24)19-23;/h6-15,19-20,34H,4-5,16-18H2,1-3H3;1H/b29-27-;
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n/an/a 5.30E+3n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193261
PNG
(CHEMBL3908431)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccc2cnn(C)c2c1)\c1ccc(C)cc1
Show InChI InChI=1S/C30H35N3O2.ClH/c1-22-7-9-23(10-8-22)30(24-13-15-27(16-14-24)35-19-17-32(2)3)28(6-5-18-34)25-11-12-26-21-31-33(4)29(26)20-25;/h7-16,20-21,34H,5-6,17-19H2,1-4H3;1H/b30-28-;
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n/an/a 5.60E+3n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50176963
PNG
(CHEMBL3814453)
Show SMILES CC(C)C(NC(=O)C1CCCN1C(=O)C(Cc1ccccc1)NC(=O)C(C)NC=O)C(=O)NC(C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCNC(N)=N)C(=O)NC(CS(O)(=O)=O)C(=O)NC1C(C)OC(=O)CN(C)C(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(Cc2ccccc2)NC(=O)C(CCC(N)=O)N(C)C1=O)C(C)O)C(C)(C)C
Show InChI InChI=1S/C79H112N20O22S/c1-41(2)61(93-71(111)57-28-20-32-99(57)76(116)53(34-46-23-15-12-16-24-46)90-65(105)42(3)86-40-100)72(112)96-64(79(6,7)8)74(114)89-52(35-47-37-85-49-26-18-17-25-48(47)49)67(107)87-50(27-19-31-84-78(82)83)66(106)92-55(39-122(118,119)120)69(109)95-63-44(5)121-60(104)38-97(9)75(115)54(36-59(81)103)91-73(113)62(43(4)101)94-68(108)51(33-45-21-13-11-14-22-45)88-70(110)56(29-30-58(80)102)98(10)77(63)117/h11-18,21-26,37,40-44,50-57,61-64,85,101H,19-20,27-36,38-39H2,1-10H3,(H2,80,102)(H2,81,103)(H,86,100)(H,87,107)(H,88,110)(H,89,114)(H,90,105)(H,91,113)(H,92,106)(H,93,111)(H,94,108)(H,95,109)(H,96,112)(H4,82,83,84)(H,118,119,120)/t42-,43-,44?,50+,51-,52-,53+,54+,55-,56+,57+,61-,62+,63?,64-/m1/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at human FXR expressed in CV-1 cells assessed as inhibition of CDCA-induced receptor transactivation after 24 hrs by luciferase r...


J Nat Prod 79: 499-506 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00871
BindingDB Entry DOI: 10.7270/Q2KD20V0
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193276
PNG
(CHEMBL3916962)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(F)cc1F
Show InChI InChI=1S/C27H29F2NO2.ClH/c1-30(2)16-18-32-23-13-10-21(11-14-23)27(25-15-12-22(28)19-26(25)29)24(9-6-17-31)20-7-4-3-5-8-20;/h3-5,7-8,10-15,19,31H,6,9,16-18H2,1-2H3;1H/b27-24+;
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n/an/a 6.70E+3n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR2


(Homo sapiens)
BDBM50193251
PNG
(CHEMBL3978054)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(Br)cc1
Show InChI InChI=1S/C27H30BrNO2.ClH/c1-29(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(28)15-11-22)26(9-6-19-30)21-7-4-3-5-8-21;/h3-5,7-8,10-17,30H,6,9,18-20H2,1-2H3;1H/b27-26-;
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n/an/a 6.95E+3n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to ERRbeta (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50193253
PNG
(CHEMBL3961676)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCF)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C27H30FNO2.ClH/c1-29(2)19-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-18-28)21-7-4-3-5-8-21;/h3-5,7-8,10-17,30H,6,9,18-20H2,1-2H3;1H/b27-26-;
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n/an/a 8.01E+3n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to ERRalpha (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50193262
PNG
(CHEMBL3956562)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCC(F)F)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C27H29F2NO2.ClH/c1-30(2)18-19-32-24-14-10-22(11-15-24)27(21-8-12-23(31)13-9-21)25(16-17-26(28)29)20-6-4-3-5-7-20;/h3-15,26,31H,16-19H2,1-2H3;1H/b27-25-;
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n/an/a 8.10E+3n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to ERRalpha (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM22435
PNG
(4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hy...)
Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C27H31NO3/c1-28(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-19-29)21-7-4-3-5-8-21/h3-5,7-8,10-17,29-30H,6,9,18-20H2,1-2H3/b27-26-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to ERRalpha (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR2


(Homo sapiens)
BDBM50193264
PNG
(CHEMBL3968559)
Show SMILES Cl.CNCCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C26H29NO3.ClH/c1-27-17-19-30-24-15-11-22(12-16-24)26(21-9-13-23(29)14-10-21)25(8-5-18-28)20-6-3-2-4-7-20;/h2-4,6-7,9-16,27-29H,5,8,17-19H2,1H3;1H/b26-25-;
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n/an/a>1.00E+4n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to ERRbeta (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193259
PNG
(CHEMBL3944120)
Show SMILES Cl.COc1ccc(cc1)C(=C(/CCCO)c1ccc2cnn(C)c2c1)\c1ccc(OCCN(C)C)cc1
Show InChI InChI=1S/C30H35N3O3.ClH/c1-32(2)17-19-36-27-15-11-23(12-16-27)30(22-9-13-26(35-4)14-10-22)28(6-5-18-34)24-7-8-25-21-31-33(3)29(25)20-24;/h7-16,20-21,34H,5-6,17-19H2,1-4H3;1H/b30-28-;
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n/an/a>1.00E+4n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR2


(Homo sapiens)
BDBM50193255
PNG
(CHEMBL3973526)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(C)cc1
Show InChI InChI=1S/C28H33NO2.ClH/c1-22-11-13-24(14-12-22)28(27(10-7-20-30)23-8-5-4-6-9-23)25-15-17-26(18-16-25)31-21-19-29(2)3;/h4-6,8-9,11-18,30H,7,10,19-21H2,1-3H3;1H/b28-27-;
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n/an/a>1.00E+4n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to ERRbeta (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193257
PNG
(CHEMBL3962561)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(cc1)C#N
Show InChI InChI=1S/C28H30N2O2.ClH/c1-30(2)18-20-32-26-16-14-25(15-17-26)28(24-12-10-22(21-29)11-13-24)27(9-6-19-31)23-7-4-3-5-8-23;/h3-5,7-8,10-17,31H,6,9,18-20H2,1-2H3;1H/b28-27-;
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n/an/a>1.00E+4n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193271
PNG
(CHEMBL3902534)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1cccnc1
Show InChI InChI=1S/C26H30N2O2.ClH/c1-28(2)17-19-30-24-14-12-22(13-15-24)26(23-10-6-16-27-20-23)25(11-7-18-29)21-8-4-3-5-9-21;/h3-6,8-10,12-16,20,29H,7,11,17-19H2,1-2H3;1H/b26-25+;
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n/an/a>1.00E+4n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193254
PNG
(CHEMBL3911541)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C28H33NO4S.ClH/c1-29(2)19-21-33-25-15-11-23(12-16-25)28(24-13-17-26(18-14-24)34(3,31)32)27(10-7-20-30)22-8-5-4-6-9-22;/h4-6,8-9,11-18,30H,7,10,19-21H2,1-3H3;1H/b28-27+;
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n/an/a>1.00E+4n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50193251
PNG
(CHEMBL3978054)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(Br)cc1
Show InChI InChI=1S/C27H30BrNO2.ClH/c1-29(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(28)15-11-22)26(9-6-19-30)21-7-4-3-5-8-21;/h3-5,7-8,10-17,30H,6,9,18-20H2,1-2H3;1H/b27-26-;
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n/an/a>1.00E+4n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to ERalpha (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193272
PNG
(CHEMBL3981543)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccncc1
Show InChI InChI=1S/C26H30N2O2.ClH/c1-28(2)18-20-30-24-12-10-22(11-13-24)26(23-14-16-27-17-15-23)25(9-6-19-29)21-7-4-3-5-8-21;/h3-5,7-8,10-17,29H,6,9,18-20H2,1-2H3;1H/b26-25+;
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n/an/a>1.00E+4n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
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