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Compile Data Set for Download or QSAR

Found 160 hits Enz. Inhib. hit(s) with Target = 'Estrogen-related receptor alpha' AND taxid = 9606   
Target
(Institution)
LigandTarget
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)
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...


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50169743
PNG
((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...)
Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc1cc(O)ccc31
Show InChI InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1
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n/an/a 2n/an/an/an/an/an/a



University of Kansas Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at ERalpha receptor in human MCF7 cells assessed as inhibition of cell growth after 6 days by crystal violet staining method


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50212166
PNG
(7-chloro-6H-chromeno[4,3-b]quinoline-3,9-diol | CH...)
Show SMILES Oc1ccc-2c(OCc3c(Cl)c4cc(O)ccc4nc-23)c1
Show InChI InChI=1S/C16H10ClNO3/c17-15-11-5-8(19)2-4-13(11)18-16-10-3-1-9(20)6-14(10)21-7-12(15)16/h1-6,19-20H,7H2
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n/an/a 3.30n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human ERalpha


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50212173
PNG
(7-bromo-6H-chromeno[4,3-b]quinoline-3,9-diol | CHE...)
Show SMILES Oc1ccc-2c(OCc3c(Br)c4cc(O)ccc4nc-23)c1
Show InChI InChI=1S/C16H10BrNO3/c17-15-11-5-8(19)2-4-13(11)18-16-10-3-1-9(20)6-14(10)21-7-12(15)16/h1-6,19-20H,7H2
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n/an/a 3.60n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human ERalpha


Citation and Details
More data for this
Ligand-Target Pair
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/a 3.60n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human ERalpha


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50171724
PNG
(4-Bromo-2-(4-hydroxy-phenyl)-quinolin-6-ol | 4-bro...)
Show SMILES Oc1ccc(cc1)-c1cc(Br)c2cc(O)ccc2n1
Show InChI InChI=1S/C15H10BrNO2/c16-13-8-15(9-1-3-10(18)4-2-9)17-14-6-5-11(19)7-12(13)14/h1-8,18-19H
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n/an/a 4.30n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human ERalpha


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50171726
PNG
(4-Chloro-2-(4-hydroxy-phenyl)-quinolin-6-ol | 4-ch...)
Show SMILES Oc1ccc(cc1)-c1cc(Cl)c2cc(O)ccc2n1
Show InChI InChI=1S/C15H10ClNO2/c16-13-8-15(9-1-3-10(18)4-2-9)17-14-6-5-11(19)7-12(13)14/h1-8,18-19H
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n/an/a 4.60n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human ERalpha


Citation and Details
More data for this
Ligand-Target Pair
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/a 6n/an/an/an/an/an/a



University of Kansas Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]E2 from human recombinant ERalpha receptor after overnight incubation by liquid scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50212172
PNG
(3,9-dihydroxy-6H-chromeno[4,3-b]quinoline-7-carbon...)
Show SMILES Oc1ccc-2c(OCc3c-2nc2ccc(O)cc2c3C#N)c1
Show InChI InChI=1S/C17H10N2O3/c18-7-13-12-5-9(20)2-4-15(12)19-17-11-3-1-10(21)6-16(11)22-8-14(13)17/h1-6,20-21H,8H2
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n/an/a 6.10n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human ERalpha


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM19459
PNG
(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
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n/an/a 10n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human ERalpha


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50434093
PNG
(CHEMBL2381353)
Show SMILES CC(C)c1cccc(c1)-n1cc(nn1)C(=O)c1ccccc1N
Show InChI InChI=1S/C18H18N4O/c1-12(2)13-6-5-7-14(10-13)22-11-17(20-21-22)18(23)15-8-3-4-9-16(15)19/h3-12H,19H2,1-2H3
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n/an/a 21n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human GAL4-DBD-fused ERRalpha-LBD transcriptional activity transfected in human 293FT cells assessed as disruption of interaction with ...


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50212161
PNG
(7-vinyl-6H-chromeno[4,3-b]quinoline-3,9-diol | CHE...)
Show SMILES Oc1ccc-2c(OCc3c(C=C)c4cc(O)ccc4nc-23)c1
Show InChI InChI=1S/C18H13NO3/c1-2-12-14-7-10(20)4-6-16(14)19-18-13-5-3-11(21)8-17(13)22-9-15(12)18/h2-8,20-21H,1,9H2
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n/an/a 22n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human ERalpha


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50427834
PNG
(CHEMBL2326068)
Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCc1cn(CC2COc4ccccc4O2)nn1)Cc1cc(O)ccc31
Show InChI InChI=1S/C33H41N3O4/c1-33-15-14-27-26-11-10-24(37)17-22(26)16-21(32(27)28(33)12-13-31(33)38)6-2-3-7-23-18-36(35-34-23)19-25-20-39-29-8-4-5-9-30(29)40-25/h4-5,8-11,17-18,21,25,27-28,31-32,37-38H,2-3,6-7,12-16,19-20H2,1H3/t21-,25?,27-,28+,31+,32-,33+/m1/s1
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n/an/a 24n/an/an/an/an/an/a



University of Kansas Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]E2 from human recombinant ERalpha receptor after overnight incubation by liquid scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50427842
PNG
(CHEMBL2326072)
Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCC#Cc1ccc(cc1)-n1cccc1)Cc1cc(O)ccc31
Show InChI InChI=1S/C34H39NO2/c1-34-19-18-30-29-15-14-28(36)23-26(29)22-25(33(30)31(34)16-17-32(34)37)9-5-3-2-4-8-24-10-12-27(13-11-24)35-20-6-7-21-35/h6-7,10-15,20-21,23,25,30-33,36-37H,2-3,5,9,16-19,22H2,1H3/t25-,30-,31+,32+,33-,34+/m1/s1
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n/an/a 28n/an/an/an/an/an/a



University of Kansas Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]E2 from human recombinant ERalpha receptor after overnight incubation by liquid scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50171712
PNG
(6-Hydroxy-2-(4-hydroxy-phenyl)-quinoline-4-carboni...)
Show SMILES Oc1ccc(cc1)-c1cc(C#N)c2cc(O)ccc2n1
Show InChI InChI=1S/C16H10N2O2/c17-9-11-7-16(10-1-3-12(19)4-2-10)18-15-6-5-13(20)8-14(11)15/h1-8,19-20H
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n/an/a 28n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human ERalpha


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50434098
PNG
(CHEMBL2381477)
Show SMILES CC(C)c1ccc(cc1)-n1cc(nn1)C(=O)c1ccccc1N
Show InChI InChI=1S/C18H18N4O/c1-12(2)13-7-9-14(10-8-13)22-11-17(20-21-22)18(23)15-5-3-4-6-16(15)19/h3-12H,19H2,1-2H3
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n/an/a 41n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human GAL4-DBD-fused ERRalpha-LBD transcriptional activity transfected in human 293FT cells assessed as disruption of interaction with ...


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50212162
PNG
(7-ethyl-6H-chromeno[4,3-b]quinoline-3,9-diol | CHE...)
Show SMILES CCc1c2COc3cc(O)ccc3-c2nc2ccc(O)cc12
Show InChI InChI=1S/C18H15NO3/c1-2-12-14-7-10(20)4-6-16(14)19-18-13-5-3-11(21)8-17(13)22-9-15(12)18/h3-8,20-21H,2,9H2,1H3
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n/an/a 46n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human ERalpha


Citation and Details
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 47n/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50427834
PNG
(CHEMBL2326068)
Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCc1cn(CC2COc4ccccc4O2)nn1)Cc1cc(O)ccc31
Show InChI InChI=1S/C33H41N3O4/c1-33-15-14-27-26-11-10-24(37)17-22(26)16-21(32(27)28(33)12-13-31(33)38)6-2-3-7-23-18-36(35-34-23)19-25-20-39-29-8-4-5-9-30(29)40-25/h4-5,8-11,17-18,21,25,27-28,31-32,37-38H,2-3,6-7,12-16,19-20H2,1H3/t21-,25?,27-,28+,31+,32-,33+/m1/s1
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n/an/a 50n/an/an/an/an/an/a



University of Kansas Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at ERalpha receptor in human MCF7 cells assessed as inhibition of cell growth after 6 days by crystal violet staining method


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50427840
PNG
(CHEMBL2326074)
Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCC#Cc1ccc(cc1)-c1ccno1)Cc1cc(O)ccc31
Show InChI InChI=1S/C33H37NO3/c1-33-18-16-28-27-13-12-26(35)21-25(27)20-24(32(28)29(33)14-15-31(33)36)7-5-3-2-4-6-22-8-10-23(11-9-22)30-17-19-34-37-30/h8-13,17,19,21,24,28-29,31-32,35-36H,2-3,5,7,14-16,18,20H2,1H3/t24-,28-,29+,31+,32-,33+/m1/s1
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n/an/a 50n/an/an/an/an/an/a



University of Kansas Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at ERalpha receptor in human MCF7 cells assessed as inhibition of cell growth after 6 days by crystal violet staining method


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50427839
PNG
(CHEMBL2326075)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(cc1)C#CCCCC[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
Show InChI InChI=1S/C39H52N2O4/c1-38(2,3)45-37(44)41-23-21-40(22-24-41)30-13-11-27(12-14-30)9-7-5-6-8-10-28-25-29-26-31(42)15-16-32(29)33-19-20-39(4)34(36(28)33)17-18-35(39)43/h11-16,26,28,33-36,42-43H,5-6,8,10,17-25H2,1-4H3/t28-,33-,34+,35+,36-,39+/m1/s1
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n/an/a 50n/an/an/an/an/an/a



University of Kansas Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at ERalpha receptor in human MCF7 cells assessed as inhibition of cell growth after 6 days by crystal violet staining method


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50171723
PNG
(4-Ethyl-2-(4-hydroxy-phenyl)-quinolin-6-ol | 4-eth...)
Show SMILES CCc1cc(nc2ccc(O)cc12)-c1ccc(O)cc1
Show InChI InChI=1S/C17H15NO2/c1-2-11-9-17(12-3-5-13(19)6-4-12)18-16-8-7-14(20)10-15(11)16/h3-10,19-20H,2H2,1H3
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n/an/a 52n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human ERalpha


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50212170
PNG
(7-ethynyl-6H-chromeno[4,3-b]quinoline-3,9-diol | C...)
Show SMILES Oc1ccc-2c(OCc3c-2nc2ccc(O)cc2c3C#C)c1
Show InChI InChI=1S/C18H11NO3/c1-2-12-14-7-10(20)4-6-16(14)19-18-13-5-3-11(21)8-17(13)22-9-15(12)18/h1,3-8,20-21H,9H2
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n/an/a 52n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human ERalpha


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50171727
PNG
(2-(4-Hydroxy-phenyl)-4-vinyl-quinolin-6-ol | 2-(4-...)
Show SMILES Oc1ccc(cc1)-c1cc(C=C)c2cc(O)ccc2n1
Show InChI InChI=1S/C17H13NO2/c1-2-11-9-17(12-3-5-13(19)6-4-12)18-16-8-7-14(20)10-15(11)16/h2-10,19-20H,1H2
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n/an/a 60n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human ERalpha


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50212168
PNG
(4-(3,9-dihydroxy-6H-chromeno[4,3-b]quinolin-7-yl)b...)
Show SMILES Oc1ccc-2c(OCc3c-2nc2ccc(O)cc2c3-c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C23H14N2O3/c24-11-13-1-3-14(4-2-13)22-18-9-15(26)6-8-20(18)25-23-17-7-5-16(27)10-21(17)28-12-19(22)23/h1-10,26-27H,12H2
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n/an/a 65n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human ERalpha


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50434084
PNG
(CHEMBL2381362)
Show SMILES COC(=O)c1cccc(c1)-n1cc(nn1)C(=O)c1ccccc1N
Show InChI InChI=1S/C17H14N4O3/c1-24-17(23)11-5-4-6-12(9-11)21-10-15(19-20-21)16(22)13-7-2-3-8-14(13)18/h2-10H,18H2,1H3
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n/an/a 72n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human GAL4-DBD-fused ERRalpha-LBD transcriptional activity transfected in human 293FT cells assessed as disruption of interaction with ...


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50171729
PNG
(4-Ethynyl-2-(4-hydroxy-phenyl)-quinolin-6-ol | 4-e...)
Show SMILES Oc1ccc(cc1)-c1cc(C#C)c2cc(O)ccc2n1
Show InChI InChI=1S/C17H11NO2/c1-2-11-9-17(12-3-5-13(19)6-4-12)18-16-8-7-14(20)10-15(11)16/h1,3-10,19-20H
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n/an/a 75n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human ERalpha


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50212167
PNG
(7-(3-methoxyphenyl)-6H-chromeno[4,3-b]quinoline-3,...)
Show SMILES COc1cccc(c1)-c1c2COc3cc(O)ccc3-c2nc2ccc(O)cc12
Show InChI InChI=1S/C23H17NO4/c1-27-16-4-2-3-13(9-16)22-18-10-14(25)6-8-20(18)24-23-17-7-5-15(26)11-21(17)28-12-19(22)23/h2-11,25-26H,12H2,1H3
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n/an/a 86n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human ERalpha


Citation and Details
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 90n/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


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50434088
PNG
(CHEMBL2381358)
Show SMILES CC(C)(C)c1cccc(c1)-n1cc(nn1)C(=O)c1ccccc1N
Show InChI InChI=1S/C19H20N4O/c1-19(2,3)13-7-6-8-14(11-13)23-12-17(21-22-23)18(24)15-9-4-5-10-16(15)20/h4-12H,20H2,1-3H3
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n/an/a 94n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human GAL4-DBD-fused ERRalpha-LBD transcriptional activity transfected in human 293FT cells assessed as disruption of interaction with ...


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50212163
PNG
(7-(4-methoxyphenyl)-6H-chromeno[4,3-b]quinoline-3,...)
Show SMILES COc1ccc(cc1)-c1c2COc3cc(O)ccc3-c2nc2ccc(O)cc12
Show InChI InChI=1S/C23H17NO4/c1-27-16-6-2-13(3-7-16)22-18-10-14(25)5-9-20(18)24-23-17-8-4-15(26)11-21(17)28-12-19(22)23/h2-11,25-26H,12H2,1H3
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n/an/a 94n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human ERalpha


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50427838
PNG
(CHEMBL2326076)
Show SMILES CCOC(=O)CC(=O)c1ccc(cc1)C#CCCCC[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
Show InChI InChI=1S/C35H42O5/c1-3-40-33(39)22-31(37)24-12-10-23(11-13-24)8-6-4-5-7-9-25-20-26-21-27(36)14-15-28(26)29-18-19-35(2)30(34(25)29)16-17-32(35)38/h10-15,21,25,29-30,32,34,36,38H,3-5,7,9,16-20,22H2,1-2H3/t25-,29-,30+,32+,34-,35+/m1/s1
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n/an/a 97n/an/an/an/an/an/a



University of Kansas Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]E2 from human recombinant ERalpha receptor after overnight incubation by liquid scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50427836
PNG
(CHEMBL2326070)
Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCc1cn(nn1)-c1cc2ccc(O)cc2oc1=O)Cc1cc(O)ccc31
Show InChI InChI=1S/C33H37N3O5/c1-33-13-12-26-25-9-8-23(37)15-21(25)14-20(31(26)27(33)10-11-30(33)39)4-2-3-5-22-18-36(35-34-22)28-16-19-6-7-24(38)17-29(19)41-32(28)40/h6-9,15-18,20,26-27,30-31,37-39H,2-5,10-14H2,1H3/t20-,26-,27+,30+,31-,33+/m1/s1
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n/an/a 100n/an/an/an/an/an/a



University of Kansas Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at ERalpha receptor in human MCF7 cells assessed as inhibition of cell growth after 6 days by crystal violet staining method


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50434083
PNG
(CHEMBL2381363)
Show SMILES CCOC(=O)c1cccc(c1)-n1cc(nn1)C(=O)c1ccccc1N
Show InChI InChI=1S/C18H16N4O3/c1-2-25-18(24)12-6-5-7-13(10-12)22-11-16(20-21-22)17(23)14-8-3-4-9-15(14)19/h3-11H,2,19H2,1H3
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n/an/a 100n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human GAL4-DBD-fused ERRalpha-LBD transcriptional activity transfected in human 293FT cells assessed as disruption of interaction with ...


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50427836
PNG
(CHEMBL2326070)
Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCc1cn(nn1)-c1cc2ccc(O)cc2oc1=O)Cc1cc(O)ccc31
Show InChI InChI=1S/C33H37N3O5/c1-33-13-12-26-25-9-8-23(37)15-21(25)14-20(31(26)27(33)10-11-30(33)39)4-2-3-5-22-18-36(35-34-22)28-16-19-6-7-24(38)17-29(19)41-32(28)40/h6-9,15-18,20,26-27,30-31,37-39H,2-5,10-14H2,1H3/t20-,26-,27+,30+,31-,33+/m1/s1
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n/an/a 116n/an/an/an/an/an/a



University of Kansas Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]E2 from human recombinant ERalpha receptor after overnight incubation by liquid scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50427835
PNG
(CHEMBL2326069)
Show SMILES CCOC(=O)C(Cc1ccc(cc1)C#CCCCC[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12)C(=O)OCC
Show InChI InChI=1S/C38H48O6/c1-4-43-36(41)32(37(42)44-5-2)22-26-14-12-25(13-15-26)10-8-6-7-9-11-27-23-28-24-29(39)16-17-30(28)31-20-21-38(3)33(35(27)31)18-19-34(38)40/h12-17,24,27,31-35,39-40H,4-7,9,11,18-23H2,1-3H3/t27-,31-,33+,34+,35-,38+/m1/s1
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n/an/a 126n/an/an/an/an/an/a



University of Kansas Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]E2 from human recombinant ERalpha receptor after overnight incubation by liquid scintillation counting analysis


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50212165
PNG
(7-(3-chlorophenyl)-6H-chromeno[4,3-b]quinoline-3,9...)
Show SMILES Oc1ccc-2c(OCc3c-2nc2ccc(O)cc2c3-c2cccc(Cl)c2)c1
Show InChI InChI=1S/C22H14ClNO3/c23-13-3-1-2-12(8-13)21-17-9-14(25)5-7-19(17)24-22-16-6-4-15(26)10-20(16)27-11-18(21)22/h1-10,25-26H,11H2
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n/an/a 144n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human ERalpha


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50212169
PNG
(3-(3,9-dihydroxy-6H-chromeno[4,3-b]quinolin-7-yl)b...)
Show SMILES Oc1ccc-2c(OCc3c-2nc2ccc(O)cc2c3-c2cccc(c2)C#N)c1
Show InChI InChI=1S/C23H14N2O3/c24-11-13-2-1-3-14(8-13)22-18-9-15(26)5-7-20(18)25-23-17-6-4-16(27)10-21(17)28-12-19(22)23/h1-10,26-27H,12H2
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n/an/a 150n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human ERalpha


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50212164
PNG
(7-(4-chlorophenyl)-6H-chromeno[4,3-b]quinoline-3,9...)
Show SMILES Oc1ccc-2c(OCc3c-2nc2ccc(O)cc2c3-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C22H14ClNO3/c23-13-3-1-12(2-4-13)21-17-9-14(25)6-8-19(17)24-22-16-7-5-15(26)10-20(16)27-11-18(21)22/h1-10,25-26H,11H2
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n/an/a 160n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human ERalpha


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-related receptor alpha


(Homo sapiens)
BDBM50434096
PNG
(CHEMBL2381350)
Show SMILES CC(C)c1ccc(cc1)-n1cc(nn1)C(=O)c1ccc(N)cc1
Show InChI InChI=1S/C18H18N4O/c1-12(2)13-5-9-16(10-6-13)22-11-17(20-21-22)18(23)14-3-7-15(19)8-4-14/h3-12H,19H2,1-2H3
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n/an/a 160n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human GAL4-DBD-fused ERRalpha-LBD transcriptional activity transfected in human 293FT cells assessed as disruption of interaction with ...


Citation and Details
More data for this
Ligand-Target Pair
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