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Compile Data Set for Download or QSAR

Found 168 hits Enz. Inhib. hit(s) with Target = 'Estrogen-related receptor alpha'   
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 alpha


(Homo sapiens)
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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n/an/an/an/a 5.90n/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at 6his-tagged ERRalpha LBD assessed as recruitment of GST-labeled coactivator Scr2 by TR-FRET assay


J Med Chem 54: 788-808 (2012)


Article DOI: 10.1021/jm101063h
BindingDB Entry DOI: 10.7270/Q208668Q
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50336730
PNG
(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1C(F)(F)F)C#N
Show InChI InChI=1S/C19H11F3N2O4S/c1-27-15-7-10(8-16-17(25)24-18(26)29-16)2-5-14(15)28-13-4-3-11(9-23)6-12(13)19(20,21)22/h2-8H,1H3,(H,24,25,26)
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n/an/an/an/a 900n/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at 6his-tagged ERRalpha LBD assessed as recruitment of GST-labeled coactivator Scr2 by TR-FRET assay


J Med Chem 54: 788-808 (2012)


Article DOI: 10.1021/jm101063h
BindingDB Entry DOI: 10.7270/Q208668Q
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50336763
PNG
(4-(5-(2,5-dimethylphenyl)-1-methyl-1H-pyrazol-3-yl...)
Show SMILES Cc1ccc(C)c(c1)-c1cc(nn1C)-c1ccc(O)cc1
Show InChI InChI=1S/C18H18N2O/c1-12-4-5-13(2)16(10-12)18-11-17(19-20(18)3)14-6-8-15(21)9-7-14/h4-11,21H,1-3H3
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n/an/an/an/a 1.00E+3n/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at ERRalpha LBD expressed in HEK293 cells assessed as Gal4-SRC2 interaction by two hybrid luciferase reporter gene assay


J Med Chem 54: 788-808 (2012)


Article DOI: 10.1021/jm101063h
BindingDB Entry DOI: 10.7270/Q208668Q
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50091046
PNG
(CHEMBL3582112)
Show SMILES Cc1noc(C)c1-c1cc2c(NC(C)(C)C(=O)C2(C)C)c2CCCc12
Show InChI InChI=1S/C21H26N2O2/c1-11-17(12(2)25-23-11)15-10-16-18(14-9-7-8-13(14)15)22-21(5,6)19(24)20(16,3)4/h10,22H,7-9H2,1-6H3
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>2.30E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of fluormone ES2 from human recombinant estrogen receptor-alpha expressed in insect Sf9 cells after 120 mins by fluorescence polarizatio...


J Med Chem 58: 4918-26 (2015)


Article DOI: 10.1021/jm501758q
BindingDB Entry DOI: 10.7270/Q2WM1G4V
More data for this
Ligand-Target Pair
Estrogen-Related Receptor, alpha


(Homo sapiens)
BDBM22420
PNG
((cyclohexylmethyl)({[1-(4-methylphenyl)-1H-indol-3...)
Show SMILES Cc1ccc(cc1)-n1cc(CNCC2CCCCC2)c2ccccc12
Show InChI InChI=1S/C23H28N2/c1-18-11-13-21(14-12-18)25-17-20(22-9-5-6-10-23(22)25)16-24-15-19-7-3-2-4-8-19/h5-6,9-14,17,19,24H,2-4,7-8,15-16H2,1H3
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n/an/a 190n/an/an/an/a7.520



Novartis



Assay Description
The IC50s of compounds were determined in the FRET assay, which was conducted as time-resolved measurement (TR-FRET) in a 1536 well plate format. The...


J Biol Chem 282: 23231-9 (2007)


Article DOI: 10.1074/jbc.M703337200
BindingDB Entry DOI: 10.7270/Q21N7ZFJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen-Related Receptor, alpha


(Homo sapiens)
BDBM22421
PNG
((cyclohexylmethyl)[(1-phenyl-1H-indol-3-yl)methyl]...)
Show SMILES C(NCc1cn(-c2ccccc2)c2ccccc12)C1CCCCC1
Show InChI InChI=1S/C22H26N2/c1-3-9-18(10-4-1)15-23-16-19-17-24(20-11-5-2-6-12-20)22-14-8-7-13-21(19)22/h2,5-8,11-14,17-18,23H,1,3-4,9-10,15-16H2
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n/an/a 700n/an/an/an/a7.520



Novartis



Assay Description
The IC50s of compounds were determined in the FRET assay, which was conducted as time-resolved measurement (TR-FRET) in a 1536 well plate format. The...


J Biol Chem 282: 23231-9 (2007)


Article DOI: 10.1074/jbc.M703337200
BindingDB Entry DOI: 10.7270/Q21N7ZFJ
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50336735
PNG
(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(C#N)c(c1)C#N
Show InChI InChI=1S/C19H11N3O4S/c1-25-16-6-11(7-17-18(23)22-19(24)27-17)2-5-15(16)26-14-4-3-12(9-20)13(8-14)10-21/h2-8H,1H3,(H,22,23,24)
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n/an/a 220n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at 6his-tagged ERRalpha LBD assessed as inhibition of recruitment of GST-labeled coactivator Scr2 by TR-FRET assay


J Med Chem 54: 788-808 (2012)


Article DOI: 10.1021/jm101063h
BindingDB Entry DOI: 10.7270/Q208668Q
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50336733
PNG
(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(C#N)c(C)c1
Show InChI InChI=1S/C19H14N2O4S/c1-11-7-14(5-4-13(11)10-20)25-15-6-3-12(8-16(15)24-2)9-17-18(22)21-19(23)26-17/h3-9H,1-2H3,(H,21,22,23)
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n/an/a 890n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at 6his-tagged ERRalpha LBD assessed as inhibition of recruitment of GST-labeled coactivator Scr2 by TR-FRET assay


J Med Chem 54: 788-808 (2012)


Article DOI: 10.1021/jm101063h
BindingDB Entry DOI: 10.7270/Q208668Q
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50336732
PNG
(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C19H11F3N2O4S/c1-27-15-6-10(7-16-17(25)24-18(26)29-16)2-5-14(15)28-12-4-3-11(9-23)13(8-12)19(20,21)22/h2-8H,1H3,(H,24,25,26)
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n/an/a 470n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at 6his-tagged ERRalpha LBD assessed as inhibition of recruitment of GST-labeled coactivator Scr2 by TR-FRET assay


J Med Chem 54: 788-808 (2012)


Article DOI: 10.1021/jm101063h
BindingDB Entry DOI: 10.7270/Q208668Q
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50336739
PNG
(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Show SMILES COC(=O)c1ccc(Oc2ccc(C=C3SC(O)=NC3=O)cc2OC)c2ccccc12
Show InChI InChI=1S/C23H17NO6S/c1-28-19-11-13(12-20-21(25)24-23(27)31-20)7-9-18(19)30-17-10-8-16(22(26)29-2)14-5-3-4-6-15(14)17/h3-12H,1-2H3,(H,24,25,27)
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n/an/a 13n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at 6his-tagged ERRalpha LBD assessed as inhibition of recruitment of GST-labeled coactivator Scr2 by TR-FRET assay


J Med Chem 54: 788-808 (2012)


Article DOI: 10.1021/jm101063h
BindingDB Entry DOI: 10.7270/Q208668Q
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50336738
PNG
(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(C#N)c2ccccc12
Show InChI InChI=1S/C22H14N2O4S/c1-27-19-10-13(11-20-21(25)24-22(26)29-20)6-8-18(19)28-17-9-7-14(12-23)15-4-2-3-5-16(15)17/h2-11H,1H3,(H,24,25,26)
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n/an/a 62n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at 6his-tagged ERRalpha LBD assessed as inhibition of recruitment of GST-labeled coactivator Scr2 by TR-FRET assay


J Med Chem 54: 788-808 (2012)


Article DOI: 10.1021/jm101063h
BindingDB Entry DOI: 10.7270/Q208668Q
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50336747
PNG
(5-[3-Methoxy-4-(2-nitro-4-trifluoromethylphenoxy)b...)
Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1[N+]([O-])=O)C(F)(F)F
Show InChI InChI=1S/C18H11F3N2O6S/c1-28-14-6-9(7-15-16(24)22-17(25)30-15)2-4-13(14)29-12-5-3-10(18(19,20)21)8-11(12)23(26)27/h2-8H,1H3,(H,22,24,25)
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n/an/a 270n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at 6his-tagged ERRalpha LBD assessed as inhibition of recruitment of GST-labeled coactivator Scr2 by TR-FRET assay


J Med Chem 54: 788-808 (2012)


Article DOI: 10.1021/jm101063h
BindingDB Entry DOI: 10.7270/Q208668Q
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50336757
PNG
(5-[4-(2-Bromo-4-trifluoromethylphenoxy)-3-methoxyb...)
Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1Br)C(F)(F)F
Show InChI InChI=1S/C18H11BrF3NO4S/c1-26-14-6-9(7-15-16(24)23-17(25)28-15)2-4-13(14)27-12-5-3-10(8-11(12)19)18(20,21)22/h2-8H,1H3,(H,23,24,25)
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n/an/a 140n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at 6his-tagged ERRalpha LBD assessed as inhibition of recruitment of GST-labeled coactivator Scr2 by TR-FRET assay


J Med Chem 54: 788-808 (2012)


Article DOI: 10.1021/jm101063h
BindingDB Entry DOI: 10.7270/Q208668Q
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50336751
PNG
(5-[3-Methoxy-4-(4-nitro-3-trifluoromethylphenoxy)b...)
Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C18H11F3N2O6S/c1-28-14-6-9(7-15-16(24)22-17(25)30-15)2-5-13(14)29-10-3-4-12(23(26)27)11(8-10)18(19,20)21/h2-8H,1H3,(H,22,24,25)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at ERRalpha LBD expressed in HEK293 cells assessed as Gal4-SRC2 interaction by two hybrid luciferase reporter gene assay


J Med Chem 54: 788-808 (2012)


Article DOI: 10.1021/jm101063h
BindingDB Entry DOI: 10.7270/Q208668Q
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50336756
PNG
(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Show SMILES COC(=O)c1ccc(Oc2ccc(C=C3SC(O)=NC3=O)cc2OC)c(Br)c1
Show InChI InChI=1S/C19H14BrNO6S/c1-25-15-7-10(8-16-17(22)21-19(24)28-16)3-5-14(15)27-13-6-4-11(9-12(13)20)18(23)26-2/h3-9H,1-2H3,(H,21,22,24)
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n/an/a 80n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at 6his-tagged ERRalpha LBD assessed as inhibition of recruitment of GST-labeled coactivator Scr2 by TR-FRET assay


J Med Chem 54: 788-808 (2012)


Article DOI: 10.1021/jm101063h
BindingDB Entry DOI: 10.7270/Q208668Q
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50336750
PNG
(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1[N+]([O-])=O)C#N
Show InChI InChI=1S/C18H11N3O6S/c1-26-15-7-10(8-16-17(22)20-18(23)28-16)2-5-14(15)27-13-4-3-11(9-19)6-12(13)21(24)25/h2-8H,1H3,(H,20,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at ERRalpha LBD expressed in HEK293 cells assessed as Gal4-SRC2 interaction by two hybrid luciferase reporter gene assay


J Med Chem 54: 788-808 (2012)


Article DOI: 10.1021/jm101063h
BindingDB Entry DOI: 10.7270/Q208668Q
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50336755
PNG
(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1Cl)C#N
Show InChI InChI=1S/C18H11ClN2O4S/c1-24-15-7-10(8-16-17(22)21-18(23)26-16)2-5-14(15)25-13-4-3-11(9-20)6-12(13)19/h2-8H,1H3,(H,21,22,23)
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n/an/a 540n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at 6his-tagged ERRalpha LBD assessed as inhibition of recruitment of GST-labeled coactivator Scr2 by TR-FRET assay


J Med Chem 54: 788-808 (2012)


Article DOI: 10.1021/jm101063h
BindingDB Entry DOI: 10.7270/Q208668Q
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50336749
PNG
(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Show SMILES COC(=O)c1ccc(Oc2ccc(C=C3SC(O)=NC3=O)cc2OC)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C19H14N2O8S/c1-27-15-7-10(8-16-17(22)20-19(24)30-16)3-5-14(15)29-13-6-4-11(18(23)28-2)9-12(13)21(25)26/h3-9H,1-2H3,(H,20,22,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at ERRalpha LBD expressed in HEK293 cells assessed as Gal4-SRC2 interaction by two hybrid luciferase reporter gene assay


J Med Chem 54: 788-808 (2012)


Article DOI: 10.1021/jm101063h
BindingDB Entry DOI: 10.7270/Q208668Q
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50336748
PNG
(5-[3-Methoxy-4-(2-nitrophenoxy)benzylidene]thiazol...)
Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C17H12N2O6S/c1-24-14-8-10(9-15-16(20)18-17(21)26-15)6-7-13(14)25-12-5-3-2-4-11(12)19(22)23/h2-9H,1H3,(H,18,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at ERRalpha LBD expressed in HEK293 cells assessed as Gal4-SRC2 interaction by two hybrid luciferase reporter gene assay


J Med Chem 54: 788-808 (2012)


Article DOI: 10.1021/jm101063h
BindingDB Entry DOI: 10.7270/Q208668Q
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50336730
PNG
(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1C(F)(F)F)C#N
Show InChI InChI=1S/C19H11F3N2O4S/c1-27-15-7-10(8-16-17(25)24-18(26)29-16)2-5-14(15)28-13-4-3-11(9-23)6-12(13)19(20,21)22/h2-8H,1H3,(H,24,25,26)
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n/an/a 40n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at 6his-tagged ERRalpha LBD assessed as inhibition of recruitment of GST-labeled coactivator Scr2 by TR-FRET assay


J Med Chem 54: 788-808 (2012)


Article DOI: 10.1021/jm101063h
BindingDB Entry DOI: 10.7270/Q208668Q
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50336760
PNG
(5-[4-(2,4-Bis-trifluoromethylphenoxy)-3-methoxyben...)
Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H11F6NO4S/c1-29-14-6-9(7-15-16(27)26-17(28)31-15)2-4-13(14)30-12-5-3-10(18(20,21)22)8-11(12)19(23,24)25/h2-8H,1H3,(H,26,27,28)
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n/an/a 36n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at 6his-tagged ERRalpha LBD assessed as inhibition of recruitment of GST-labeled coactivator Scr2 by TR-FRET assay


J Med Chem 54: 788-808 (2012)


Article DOI: 10.1021/jm101063h
BindingDB Entry DOI: 10.7270/Q208668Q
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50336759
PNG
(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Show SMILES COC(=O)c1ccc(Oc2ccc(C=C3SC(O)=NC3=O)cc2OC)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H14F3NO6S/c1-28-15-7-10(8-16-17(25)24-19(27)31-16)3-5-14(15)30-13-6-4-11(18(26)29-2)9-12(13)20(21,22)23/h3-9H,1-2H3,(H,24,25,27)
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n/an/a 16n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at 6his-tagged ERRalpha LBD assessed as inhibition of recruitment of GST-labeled coactivator Scr2 by TR-FRET assay


J Med Chem 54: 788-808 (2012)


Article DOI: 10.1021/jm101063h
BindingDB Entry DOI: 10.7270/Q208668Q
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50336758
PNG
(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1Br)C#N
Show InChI InChI=1S/C18H11BrN2O4S/c1-24-15-7-10(8-16-17(22)21-18(23)26-16)2-5-14(15)25-13-4-3-11(9-20)6-12(13)19/h2-8H,1H3,(H,21,22,23)
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n/an/a 720n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at 6his-tagged ERRalpha LBD assessed as inhibition of recruitment of GST-labeled coactivator Scr2 by TR-FRET assay


J Med Chem 54: 788-808 (2012)


Article DOI: 10.1021/jm101063h
BindingDB Entry DOI: 10.7270/Q208668Q
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50336730
PNG
(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1C(F)(F)F)C#N
Show InChI InChI=1S/C19H11F3N2O4S/c1-27-15-7-10(8-16-17(25)24-18(26)29-16)2-5-14(15)28-13-4-3-11(9-23)6-12(13)19(20,21)22/h2-8H,1H3,(H,24,25,26)
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n/an/a 600n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human ERRalpha LBD by cell based luciferase reporter gene assay


J Med Chem 54: 788-808 (2012)


Article DOI: 10.1021/jm101063h
BindingDB Entry DOI: 10.7270/Q208668Q
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50336731
PNG
(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Show SMILES COC(=O)c1ccc(Oc2ccc(C=C3SC(O)=NC3=O)cc2OC)cc1C(F)(F)F
Show InChI InChI=1S/C20H14F3NO6S/c1-28-15-7-10(8-16-17(25)24-19(27)31-16)3-6-14(15)30-11-4-5-12(18(26)29-2)13(9-11)20(21,22)23/h3-9H,1-2H3,(H,24,25,27)
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n/an/a 57n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at 6his-tagged ERRalpha LBD assessed as inhibition of recruitment of GST-labeled coactivator Scr2 by TR-FRET assay


J Med Chem 54: 788-808 (2012)


Article DOI: 10.1021/jm101063h
BindingDB Entry DOI: 10.7270/Q208668Q
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50336762
PNG
(2-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Show SMILES COC(=O)c1cc(ccc1Oc1ccc(C=C2SC(O)=NC2=O)cc1OC)C(F)(F)F
Show InChI InChI=1S/C20H14F3NO6S/c1-28-15-7-10(8-16-17(25)24-19(27)31-16)3-5-14(15)30-13-6-4-11(20(21,22)23)9-12(13)18(26)29-2/h3-9H,1-2H3,(H,24,25,27)
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n/an/a 70n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at 6his-tagged ERRalpha LBD assessed as inhibition of recruitment of GST-labeled coactivator Scr2 by TR-FRET assay


J Med Chem 54: 788-808 (2012)


Article DOI: 10.1021/jm101063h
BindingDB Entry DOI: 10.7270/Q208668Q
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50336754
PNG
(5-[4-(2-Chloro-4-trifluoromethylphenoxy)-3-methoxy...)
Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C18H11ClF3NO4S/c1-26-14-6-9(7-15-16(24)23-17(25)28-15)2-4-13(14)27-12-5-3-10(8-11(12)19)18(20,21)22/h2-8H,1H3,(H,23,24,25)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at ERRalpha LBD expressed in HEK293 cells assessed as Gal4-SRC2 interaction by two hybrid luciferase reporter gene assay


J Med Chem 54: 788-808 (2012)


Article DOI: 10.1021/jm101063h
BindingDB Entry DOI: 10.7270/Q208668Q
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50336761
PNG
(5-[4-(2-Trifluoromethylphenoxy)-3-methoxybenzylide...)
Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccccc1C(F)(F)F
Show InChI InChI=1S/C18H12F3NO4S/c1-25-14-8-10(9-15-16(23)22-17(24)27-15)6-7-13(14)26-12-5-3-2-4-11(12)18(19,20)21/h2-9H,1H3,(H,22,23,24)
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n/an/a 68n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at 6his-tagged ERRalpha LBD assessed as inhibition of recruitment of GST-labeled coactivator Scr2 by TR-FRET assay


J Med Chem 54: 788-808 (2012)


Article DOI: 10.1021/jm101063h
BindingDB Entry DOI: 10.7270/Q208668Q
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50336753
PNG
(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Show SMILES COC(=O)c1ccc(Oc2ccc(C=C3SC(O)=NC3=O)cc2OC)c(Cl)c1
Show InChI InChI=1S/C19H14ClNO6S/c1-25-15-7-10(8-16-17(22)21-19(24)28-16)3-5-14(15)27-13-6-4-11(9-12(13)20)18(23)26-2/h3-9H,1-2H3,(H,21,22,24)
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n/an/a 5.90E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at ERRalpha LBD expressed in HEK293 cells assessed as Gal4-SRC2 interaction by two hybrid luciferase reporter gene assay


J Med Chem 54: 788-808 (2012)


Article DOI: 10.1021/jm101063h
BindingDB Entry DOI: 10.7270/Q208668Q
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50336752
PNG
(2-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1C#N)C(F)(F)F
Show InChI InChI=1S/C19H11F3N2O4S/c1-27-15-6-10(7-16-17(25)24-18(26)29-16)2-4-14(15)28-13-5-3-12(19(20,21)22)8-11(13)9-23/h2-8H,1H3,(H,24,25,26)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at ERRalpha LBD expressed in HEK293 cells assessed as Gal4-SRC2 interaction by two hybrid luciferase reporter gene assay


J Med Chem 54: 788-808 (2012)


Article DOI: 10.1021/jm101063h
BindingDB Entry DOI: 10.7270/Q208668Q
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50155815
PNG
(2-Cyano-3-{4-[2-(2,6-dimethyl-phenoxy)-ethoxy]-3-m...)
Show SMILES COc1cc(\C=C(/C#N)C(=O)Nc2nncs2)ccc1OCCOc1c(C)cccc1C
Show InChI InChI=1S/C23H22N4O4S/c1-15-5-4-6-16(2)21(15)31-10-9-30-19-8-7-17(12-20(19)29-3)11-18(13-24)22(28)26-23-27-25-14-32-23/h4-8,11-12,14H,9-10H2,1-3H3,(H,26,27,28)/b18-11+
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n/an/a 1.40E+3n/an/an/an/an/an/a



X-Ceptor Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of estrogen-related receptor alpha Gal4 activity


J Med Chem 47: 5593-6 (2004)


Article DOI: 10.1021/jm049334f
BindingDB Entry DOI: 10.7270/Q2959H16
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50155816
PNG
(3-[4-(2-Bromo-benzyloxy)-3-methoxy-phenyl]-2-cyano...)
Show SMILES CCc1nnc(NC(=O)C(=C\c2ccc(OCc3ccccc3Br)c(OC)c2)\C#N)s1
Show InChI InChI=1S/C22H19BrN4O3S/c1-3-20-26-27-22(31-20)25-21(28)16(12-24)10-14-8-9-18(19(11-14)29-2)30-13-15-6-4-5-7-17(15)23/h4-11H,3,13H2,1-2H3,(H,25,27,28)/b16-10+
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n/an/a 2.20E+3n/an/an/an/an/an/a



X-Ceptor Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of estrogen-related receptor alpha Gal4 activity


J Med Chem 47: 5593-6 (2004)


Article DOI: 10.1021/jm049334f
BindingDB Entry DOI: 10.7270/Q2959H16
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50155817
PNG
(2-Cyano-3-{4-[2-(2,6-dimethyl-phenoxy)-ethoxy]-3-m...)
Show SMILES COc1cc(\C=C(/C#N)C(=O)Nc2nnc(s2)C(F)(F)F)ccc1OCCOc1c(C)cccc1C
Show InChI InChI=1S/C24H21F3N4O4S/c1-14-5-4-6-15(2)20(14)35-10-9-34-18-8-7-16(12-19(18)33-3)11-17(13-28)21(32)29-23-31-30-22(36-23)24(25,26)27/h4-8,11-12H,9-10H2,1-3H3,(H,29,31,32)/b17-11+
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n/an/a 1.50E+3n/an/an/an/an/an/a



X-Ceptor Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of estrogen-related receptor alpha Gal4 activity


J Med Chem 47: 5593-6 (2004)


Article DOI: 10.1021/jm049334f
BindingDB Entry DOI: 10.7270/Q2959H16
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50155818
PNG
(3-[4-(2,4-Bis-trifluoromethyl-benzyloxy)-3-methoxy...)
Show SMILES COc1cc(\C=C(/C#N)C(=O)Nc2nnc(s2)C(C)(C)C)ccc1OCc1ccc(cc1C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H22F6N4O3S/c1-24(2,3)22-35-36-23(40-22)34-21(37)16(12-33)9-14-5-8-19(20(10-14)38-4)39-13-15-6-7-17(25(27,28)29)11-18(15)26(30,31)32/h5-11H,13H2,1-4H3,(H,34,36,37)/b16-9+
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n/an/a>1.00E+4n/an/an/an/an/an/a



X-Ceptor Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of estrogen-related receptor alpha Gal4 activity


J Med Chem 47: 5593-6 (2004)


Article DOI: 10.1021/jm049334f
BindingDB Entry DOI: 10.7270/Q2959H16
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50155821
PNG
(3-[4-(2,4-Bis-trifluoromethyl-benzyloxy)-3-methoxy...)
Show SMILES CCc1nnc(NC(=O)C(=C\c2ccc(OCc3ccc(cc3C(F)(F)F)C(F)(F)F)c(OC)c2)\C#N)s1
Show InChI InChI=1S/C24H18F6N4O3S/c1-3-20-33-34-22(38-20)32-21(35)15(11-31)8-13-4-7-18(19(9-13)36-2)37-12-14-5-6-16(23(25,26)27)10-17(14)24(28,29)30/h4-10H,3,12H2,1-2H3,(H,32,34,35)/b15-8+
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n/an/a 400n/an/an/an/an/an/a



X-Ceptor Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of estrogen-related receptor alpha Gal4 activity


J Med Chem 47: 5593-6 (2004)


Article DOI: 10.1021/jm049334f
BindingDB Entry DOI: 10.7270/Q2959H16
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50155820
PNG
(2-Cyano-N-(5-ethyl-[1,3,4]thiadiazol-2-yl)-3-[4-(5...)
Show SMILES CCc1nnc(NC(=O)C(=C\c2ccc(OCc3cc(F)ccc3C(F)(F)F)c(OC)c2)\C#N)s1
Show InChI InChI=1S/C23H18F4N4O3S/c1-3-20-30-31-22(35-20)29-21(32)14(11-28)8-13-4-7-18(19(9-13)33-2)34-12-15-10-16(24)5-6-17(15)23(25,26)27/h4-10H,3,12H2,1-2H3,(H,29,31,32)/b14-8+
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n/an/a 800n/an/an/an/an/an/a



X-Ceptor Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of estrogen-related receptor alpha Gal4 activity


J Med Chem 47: 5593-6 (2004)


Article DOI: 10.1021/jm049334f
BindingDB Entry DOI: 10.7270/Q2959H16
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50155819
PNG
(CHEMBL188396 | N-(5-tert-Butyl-[1,3,4]thiadiazol-2...)
Show SMILES COc1cc(\C=C(/C#N)C(=O)Nc2nnc(s2)C(C)(C)C)ccc1OCCOc1c(C)cccc1C
Show InChI InChI=1S/C27H30N4O4S/c1-17-8-7-9-18(2)23(17)35-13-12-34-21-11-10-19(15-22(21)33-6)14-20(16-28)24(32)29-26-31-30-25(36-26)27(3,4)5/h7-11,14-15H,12-13H2,1-6H3,(H,29,31,32)/b20-14+
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n/an/a 1.70E+3n/an/an/an/an/an/a



X-Ceptor Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of estrogen-related receptor alpha Gal4 activity


J Med Chem 47: 5593-6 (2004)


Article DOI: 10.1021/jm049334f
BindingDB Entry DOI: 10.7270/Q2959H16
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50155822
PNG
(3-[4-(2,4-Bis-trifluoromethyl-benzyloxy)-3-methoxy...)
Show SMILES COc1cc(\C=C(/C#N)C(=O)Nc2nnc(s2)-c2ccccc2)ccc1OCc1ccc(cc1C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H18F6N4O3S/c1-40-23-12-16(11-19(14-35)24(39)36-26-38-37-25(42-26)17-5-3-2-4-6-17)7-10-22(23)41-15-18-8-9-20(27(29,30)31)13-21(18)28(32,33)34/h2-13H,15H2,1H3,(H,36,38,39)/b19-11+
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n/an/a 500n/an/an/an/an/an/a



X-Ceptor Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of estrogen-related receptor alpha Gal4 activity


J Med Chem 47: 5593-6 (2004)


Article DOI: 10.1021/jm049334f
BindingDB Entry DOI: 10.7270/Q2959H16
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50155823
PNG
(2-Cyano-3-{4-[2-(2,6-dimethyl-phenoxy)-ethoxy]-3-m...)
Show SMILES CCc1nnc(NC(=O)C(=C\c2ccc(OCCOc3c(C)cccc3C)c(OC)c2)\C#N)s1
Show InChI InChI=1S/C25H26N4O4S/c1-5-22-28-29-25(34-22)27-24(30)19(15-26)13-18-9-10-20(21(14-18)31-4)32-11-12-33-23-16(2)7-6-8-17(23)3/h6-10,13-14H,5,11-12H2,1-4H3,(H,27,29,30)/b19-13+
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n/an/a 2.00E+3n/an/an/an/an/an/a



X-Ceptor Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of estrogen-related receptor alpha Gal4 activity


J Med Chem 47: 5593-6 (2004)


Article DOI: 10.1021/jm049334f
BindingDB Entry DOI: 10.7270/Q2959H16
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50155821
PNG
(3-[4-(2,4-Bis-trifluoromethyl-benzyloxy)-3-methoxy...)
Show SMILES CCc1nnc(NC(=O)C(=C\c2ccc(OCc3ccc(cc3C(F)(F)F)C(F)(F)F)c(OC)c2)\C#N)s1
Show InChI InChI=1S/C24H18F6N4O3S/c1-3-20-33-34-22(38-20)32-21(35)15(11-31)8-13-4-7-18(19(9-13)36-2)37-12-14-5-6-16(23(25,26)27)10-17(14)24(28,29)30/h4-10H,3,12H2,1-2H3,(H,32,34,35)/b15-8+
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n/an/a 540n/an/an/an/an/an/a



X-Ceptor Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of estrogen-related receptor alpha Gal4 activity


J Med Chem 47: 5593-6 (2004)


Article DOI: 10.1021/jm049334f
BindingDB Entry DOI: 10.7270/Q2959H16
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50155824
PNG
(2-Cyano-N-(5-ethyl-[1,3,4]thiadiazol-2-yl)-3-[3-me...)
Show SMILES CCc1nnc(NC(=O)C(=C\c2ccc(OCc3cccc4ccccc34)c(OC)c2)\C#N)s1
Show InChI InChI=1S/C26H22N4O3S/c1-3-24-29-30-26(34-24)28-25(31)20(15-27)13-17-11-12-22(23(14-17)32-2)33-16-19-9-6-8-18-7-4-5-10-21(18)19/h4-14H,3,16H2,1-2H3,(H,28,30,31)/b20-13+
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n/an/a 1.80E+3n/an/an/an/an/an/a



X-Ceptor Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of estrogen-related receptor alpha Gal4 activity


J Med Chem 47: 5593-6 (2004)


Article DOI: 10.1021/jm049334f
BindingDB Entry DOI: 10.7270/Q2959H16
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50155825
PNG
(3-[4-(2,4-Bis-trifluoromethyl-benzyloxy)-3-methoxy...)
Show SMILES COc1cc(\C=C(/C#N)C(=O)Nc2nncs2)ccc1OCc1ccc(cc1C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H14F6N4O3S/c1-34-18-7-12(6-14(9-29)19(33)31-20-32-30-11-36-20)2-5-17(18)35-10-13-3-4-15(21(23,24)25)8-16(13)22(26,27)28/h2-8,11H,10H2,1H3,(H,31,32,33)/b14-6+
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n/an/a 750n/an/an/an/an/an/a



X-Ceptor Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of estrogen-related receptor alpha Gal4 activity


J Med Chem 47: 5593-6 (2004)


Article DOI: 10.1021/jm049334f
BindingDB Entry DOI: 10.7270/Q2959H16
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50155828
PNG
(6-[1-{4-[2-(2,6-Dimethyl-phenoxy)-ethoxy]-3-methox...)
Show SMILES CCC1=NN2C\C(=C\c3ccc(OCCOc4c(C)cccc4C)c(OC)c3)C(=O)N=C2S1
Show InChI InChI=1S/C25H27N3O4S/c1-5-22-27-28-15-19(24(29)26-25(28)33-22)13-18-9-10-20(21(14-18)30-4)31-11-12-32-23-16(2)7-6-8-17(23)3/h6-10,13-14H,5,11-12,15H2,1-4H3/b19-13-
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n/an/a 2.30E+3n/an/an/an/an/an/a



X-Ceptor Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of estrogen-related receptor alpha Gal4 activity


J Med Chem 47: 5593-6 (2004)


Article DOI: 10.1021/jm049334f
BindingDB Entry DOI: 10.7270/Q2959H16
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50155827
PNG
(2-Cyano-3-{4-[2-(2,6-dimethyl-phenoxy)-ethoxy]-3-m...)
Show SMILES COc1cc(\C=C(/C#N)C(=O)Nc2nnc(SC)s2)ccc1OCCOc1c(C)cccc1C
Show InChI InChI=1S/C24H24N4O4S2/c1-15-6-5-7-16(2)21(15)32-11-10-31-19-9-8-17(13-20(19)30-3)12-18(14-25)22(29)26-23-27-28-24(33-4)34-23/h5-9,12-13H,10-11H2,1-4H3,(H,26,27,29)/b18-12+
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n/an/a 2.60E+3n/an/an/an/an/an/a



X-Ceptor Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of estrogen-related receptor alpha Gal4 activity


J Med Chem 47: 5593-6 (2004)


Article DOI: 10.1021/jm049334f
BindingDB Entry DOI: 10.7270/Q2959H16
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50155829
PNG
(2-Cyano-N-[5-(4-dimethylamino-phenyl)-[1,3,4]thiad...)
Show SMILES COc1cc(\C=C(/C#N)C(=O)Nc2nnc(s2)-c2ccc(cc2)N(C)C)ccc1OCCOc1c(C)cccc1C
Show InChI InChI=1S/C31H31N5O4S/c1-20-7-6-8-21(2)28(20)40-16-15-39-26-14-9-22(18-27(26)38-5)17-24(19-32)29(37)33-31-35-34-30(41-31)23-10-12-25(13-11-23)36(3)4/h6-14,17-18H,15-16H2,1-5H3,(H,33,35,37)/b24-17+
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n/an/a 2.00E+3n/an/an/an/an/an/a



X-Ceptor Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of estrogen-related receptor alpha Gal4 activity


J Med Chem 47: 5593-6 (2004)


Article DOI: 10.1021/jm049334f
BindingDB Entry DOI: 10.7270/Q2959H16
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50155830
PNG
(2-Cyano-N-(5-ethyl-[1,3,4]thiadiazol-2-yl)-3-[4-(4...)
Show SMILES CCc1nnc(NC(=O)C(=C\c2ccc(OCc3ccc(F)cc3C(F)(F)F)c(OC)c2)\C#N)s1
Show InChI InChI=1S/C23H18F4N4O3S/c1-3-20-30-31-22(35-20)29-21(32)15(11-28)8-13-4-7-18(19(9-13)33-2)34-12-14-5-6-16(24)10-17(14)23(25,26)27/h4-10H,3,12H2,1-2H3,(H,29,31,32)/b15-8+
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n/an/a 1.50E+3n/an/an/an/an/an/a



X-Ceptor Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of estrogen-related receptor alpha Gal4 activity


J Med Chem 47: 5593-6 (2004)


Article DOI: 10.1021/jm049334f
BindingDB Entry DOI: 10.7270/Q2959H16
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50155826
PNG
(2-Cyano-3-{4-[2-(2,6-dimethyl-phenoxy)-ethoxy]-3-m...)
Show SMILES CCc1nnc(NC(=O)C(=C\c2ccc(OCCOc3c(C)cccc3C)c(OC)c2)\C#N)o1
Show InChI InChI=1S/C25H26N4O5/c1-5-22-28-29-25(34-22)27-24(30)19(15-26)13-18-9-10-20(21(14-18)31-4)32-11-12-33-23-16(2)7-6-8-17(23)3/h6-10,13-14H,5,11-12H2,1-4H3,(H,27,29,30)/b19-13+
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n/an/a 3.30E+3n/an/an/an/an/an/a



X-Ceptor Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of estrogen-related receptor alpha Gal4 activity


J Med Chem 47: 5593-6 (2004)


Article DOI: 10.1021/jm049334f
BindingDB Entry DOI: 10.7270/Q2959H16
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50155830
PNG
(2-Cyano-N-(5-ethyl-[1,3,4]thiadiazol-2-yl)-3-[4-(4...)
Show SMILES CCc1nnc(NC(=O)C(=C\c2ccc(OCc3ccc(F)cc3C(F)(F)F)c(OC)c2)\C#N)s1
Show InChI InChI=1S/C23H18F4N4O3S/c1-3-20-30-31-22(35-20)29-21(32)15(11-28)8-13-4-7-18(19(9-13)33-2)34-12-14-5-6-16(24)10-17(14)23(25,26)27/h4-10H,3,12H2,1-2H3,(H,29,31,32)/b15-8+
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n/an/a 920n/an/an/an/an/an/a



X-Ceptor Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of estrogen-related receptor alpha Gal4 activity


J Med Chem 47: 5593-6 (2004)


Article DOI: 10.1021/jm049334f
BindingDB Entry DOI: 10.7270/Q2959H16
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50155828
PNG
(6-[1-{4-[2-(2,6-Dimethyl-phenoxy)-ethoxy]-3-methox...)
Show SMILES CCC1=NN2C\C(=C\c3ccc(OCCOc4c(C)cccc4C)c(OC)c3)C(=O)N=C2S1
Show InChI InChI=1S/C25H27N3O4S/c1-5-22-27-28-15-19(24(29)26-25(28)33-22)13-18-9-10-20(21(14-18)30-4)31-11-12-32-23-16(2)7-6-8-17(23)3/h6-10,13-14H,5,11-12,15H2,1-4H3/b19-13-
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n/an/a 1.40E+3n/an/an/an/an/an/a



X-Ceptor Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of estrogen-related receptor alpha in FP assay


J Med Chem 47: 5593-6 (2004)


Article DOI: 10.1021/jm049334f
BindingDB Entry DOI: 10.7270/Q2959H16
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50155821
PNG
(3-[4-(2,4-Bis-trifluoromethyl-benzyloxy)-3-methoxy...)
Show SMILES CCc1nnc(NC(=O)C(=C\c2ccc(OCc3ccc(cc3C(F)(F)F)C(F)(F)F)c(OC)c2)\C#N)s1
Show InChI InChI=1S/C24H18F6N4O3S/c1-3-20-33-34-22(38-20)32-21(35)15(11-31)8-13-4-7-18(19(9-13)36-2)37-12-14-5-6-16(23(25,26)27)10-17(14)24(28,29)30/h4-10H,3,12H2,1-2H3,(H,32,34,35)/b15-8+
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n/an/a 610n/an/an/an/an/an/a



X-Ceptor Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of estrogen-related receptor alpha Gal4 activity


J Med Chem 47: 5593-6 (2004)


Article DOI: 10.1021/jm049334f
BindingDB Entry DOI: 10.7270/Q2959H16
More data for this
Ligand-Target Pair
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