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Compile Data Set for Download or QSAR

Found 124 hits Enz. Inhib. hit(s) with all data for entry = 9736   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM485053
PNG
(US10934303, Cmpd No. 18b | US10934303, Example 21 ...)
Show SMILES CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(C)cc1
Show InChI InChI=1S/C31H38N2O/c1-24(2)32-19-21-33(22-20-32)29-17-15-28(16-18-29)31(27-13-11-25(3)12-14-27)30(10-7-23-34)26-8-5-4-6-9-26/h4-6,8-9,11-18,24,34H,7,10,19-23H2,1-3H3/b31-30-
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n/an/a 17n/an/an/an/an/an/a



DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRγ: The arylethene derivative of the present invention was sequentially added to a 384 well plate from a concentration of 10 μM to a fina...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM485059
PNG
(US10934303, Cmpd No. 18j | US10934303, Example 29 ...)
Show SMILES CCN1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(C)cc1
Show InChI InChI=1S/C30H36N2O/c1-3-31-19-21-32(22-20-31)28-17-15-27(16-18-28)30(26-13-11-24(2)12-14-26)29(10-7-23-33)25-8-5-4-6-9-25/h4-6,8-9,11-18,33H,3,7,10,19-23H2,1-2H3/b30-29-
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DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRγ: The arylethene derivative of the present invention was sequentially added to a 384 well plate from a concentration of 10 μM to a fina...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM485053
PNG
(US10934303, Cmpd No. 18b | US10934303, Example 21 ...)
Show SMILES CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(C)cc1
Show InChI InChI=1S/C31H38N2O/c1-24(2)32-19-21-33(22-20-32)29-17-15-28(16-18-29)31(27-13-11-25(3)12-14-27)30(10-7-23-34)26-8-5-4-6-9-26/h4-6,8-9,11-18,24,34H,7,10,19-23H2,1-3H3/b31-30-
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DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRγ: The arylethene derivative of the present invention was sequentially added to a 384 well plate from a concentration of 10 μM to a fina...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM485047
PNG
(US10934303, Cmpd No. 6g | US10934303, Example 10 |...)
Show SMILES CN1CCCC1CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C30H35NO3/c1-31-20-5-9-26(31)19-22-34-28-17-13-25(14-18-28)30(24-11-15-27(33)16-12-24)29(10-6-21-32)23-7-3-2-4-8-23/h2-4,7-8,11-18,26,32-33H,5-6,9-10,19-22H2,1H3/b30-29-
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DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRγ: The arylethene derivative of the present invention was sequentially added to a 384 well plate from a concentration of 10 μM to a fina...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM485072
PNG
(US10934303, Cmpd No. 27a | US10934303, Example 87)
Show SMILES CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(NCS(C)(=O)=O)cc1
Show InChI InChI=1S/C32H41N3O3S/c1-25(2)34-19-21-35(22-20-34)30-17-13-28(14-18-30)32(31(10-7-23-36)26-8-5-4-6-9-26)27-11-15-29(16-12-27)33-24-39(3,37)38/h4-6,8-9,11-18,25,33,36H,7,10,19-24H2,1-3H3/b32-31-
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n/an/a 26n/an/an/an/an/an/a



DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRγ: The arylethene derivative of the present invention was sequentially added to a 384 well plate from a concentration of 10 μM to a fina...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM485063
PNG
(US10934303, Cmpd No. 20b | US10934303, Example 41 ...)
Show SMILES Cc1ccc(cc1)C(=C(/CCCO)c1ccccc1)\c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C28H32N2O/c1-22-9-11-24(12-10-22)28(27(8-5-21-31)23-6-3-2-4-7-23)25-13-15-26(16-14-25)30-19-17-29-18-20-30/h2-4,6-7,9-16,29,31H,5,8,17-21H2,1H3/b28-27-
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DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRγ: The arylethene derivative of the present invention was sequentially added to a 384 well plate from a concentration of 10 μM to a fina...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM485062
PNG
(US10934303, Cmpd No. 20a | US10934303, Example 40 ...)
Show SMILES OCCC\C(=C(/c1ccc(Br)cc1)c1ccc(cc1)N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C27H29BrN2O/c28-24-12-8-22(9-13-24)27(26(7-4-20-31)21-5-2-1-3-6-21)23-10-14-25(15-11-23)30-18-16-29-17-19-30/h1-3,5-6,8-15,29,31H,4,7,16-20H2/b27-26-
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DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRγ: The arylethene derivative of the present invention was sequentially added to a 384 well plate from a concentration of 10 μM to a fina...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM485061
PNG
(US10934303, Cmpd No. 18n | US10934303, Example 33 ...)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(Br)cc1
Show InChI InChI=1S/C32H37BrN2O3/c1-32(2,3)38-31(37)35-21-19-34(20-22-35)28-17-13-26(14-18-28)30(25-11-15-27(33)16-12-25)29(10-7-23-36)24-8-5-4-6-9-24/h4-6,8-9,11-18,36H,7,10,19-23H2,1-3H3/b30-29-
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DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRγ: The arylethene derivative of the present invention was sequentially added to a 384 well plate from a concentration of 10 μM to a fina...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM485047
PNG
(US10934303, Cmpd No. 6g | US10934303, Example 10 |...)
Show SMILES CN1CCCC1CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C30H35NO3/c1-31-20-5-9-26(31)19-22-34-28-17-13-25(14-18-28)30(24-11-15-27(33)16-12-24)29(10-6-21-32)23-7-3-2-4-8-23/h2-4,7-8,11-18,26,32-33H,5-6,9-10,19-22H2,1H3/b30-29-
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DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRγ: The arylethene derivative of the present invention was sequentially added to a 384 well plate from a concentration of 10 μM to a fina...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM485055
PNG
(US10934303, Cmpd No. 18e | US10934303, Example 24 ...)
Show SMILES CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(Br)cc1
Show InChI InChI=1S/C30H35BrN2O/c1-23(2)32-18-20-33(21-19-32)28-16-12-26(13-17-28)30(25-10-14-27(31)15-11-25)29(9-6-22-34)24-7-4-3-5-8-24/h3-5,7-8,10-17,23,34H,6,9,18-22H2,1-2H3/b30-29-
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DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRγ: The arylethene derivative of the present invention was sequentially added to a 384 well plate from a concentration of 10 μM to a fina...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM485047
PNG
(US10934303, Cmpd No. 6g | US10934303, Example 10 |...)
Show SMILES CN1CCCC1CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C30H35NO3/c1-31-20-5-9-26(31)19-22-34-28-17-13-25(14-18-28)30(24-11-15-27(33)16-12-24)29(10-6-21-32)23-7-3-2-4-8-23/h2-4,7-8,11-18,26,32-33H,5-6,9-10,19-22H2,1H3/b30-29-
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DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRγ: The arylethene derivative of the present invention was sequentially added to a 384 well plate from a concentration of 10 μM to a fina...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM485060
PNG
(US10934303, Cmpd No. 18k | US10934303, Example 30 ...)
Show SMILES CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1cccc(O)c1
Show InChI InChI=1S/C30H36N2O2/c1-23(2)31-17-19-32(20-18-31)27-15-13-25(14-16-27)30(26-10-6-11-28(34)22-26)29(12-7-21-33)24-8-4-3-5-9-24/h3-6,8-11,13-16,22-23,33-34H,7,12,17-21H2,1-2H3/b30-29+
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n/an/a 35n/an/an/an/an/an/a



DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRγ: The arylethene derivative of the present invention was sequentially added to a 384 well plate from a concentration of 10 μM to a fina...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM485052
PNG
(US10934303, Cmpd No. 18a | US10934303, Example 20 ...)
Show SMILES CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C30H36N2O2/c1-23(2)31-18-20-32(21-19-31)27-14-10-25(11-15-27)30(26-12-16-28(34)17-13-26)29(9-6-22-33)24-7-4-3-5-8-24/h3-5,7-8,10-17,23,33-34H,6,9,18-22H2,1-2H3/b30-29+
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DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRγ: The arylethene derivative of the present invention was sequentially added to a 384 well plate from a concentration of 10 μM to a fina...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM485048
PNG
(US10934303, Cmpd No. 6h | US10934303, Example 8)
Show SMILES CN1CCCC1COc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C29H33NO3/c1-30-19-5-9-25(30)21-33-27-17-13-24(14-18-27)29(23-11-15-26(32)16-12-23)28(10-6-20-31)22-7-3-2-4-8-22/h2-4,7-8,11-18,25,31-32H,5-6,9-10,19-21H2,1H3/b29-28-
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DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRγ: The arylethene derivative of the present invention was sequentially added to a 384 well plate from a concentration of 10 μM to a fina...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM485064
PNG
(US10934303, Cmpd No. 20j | US10934303, Example 49)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(cc1)N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C27H30N2O2/c30-20-4-7-26(21-5-2-1-3-6-21)27(23-10-14-25(31)15-11-23)22-8-12-24(13-9-22)29-18-16-28-17-19-29/h1-3,5-6,8-15,28,30-31H,4,7,16-20H2/b27-26+
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DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRγ: The arylethene derivative of the present invention was sequentially added to a 384 well plate from a concentration of 10 μM to a fina...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM485065
PNG
(US10934303, Cmpd No. 22g | US10934303, Example 58 ...)
Show SMILES CC(C)N1CCC(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C31H37NO2/c1-23(2)32-20-18-25(19-21-32)24-10-12-27(13-11-24)31(28-14-16-29(34)17-15-28)30(9-6-22-33)26-7-4-3-5-8-26/h3-5,7-8,10-17,23,25,33-34H,6,9,18-22H2,1-2H3/b31-30+
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DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRγ: The arylethene derivative of the present invention was sequentially added to a 384 well plate from a concentration of 10 μM to a fina...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM485074
PNG
(US10934303, Cmpd No. 38b | US10934303, Example 107...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CCC3(CCCC3)C2)cc1)c1ccccc1
Show InChI InChI=1S/C33H39NO3/c35-23-6-9-31(26-7-2-1-3-8-26)32(27-10-14-29(36)15-11-27)28-12-16-30(17-13-28)37-24-22-34-21-20-33(25-34)18-4-5-19-33/h1-3,7-8,10-17,35-36H,4-6,9,18-25H2/b32-31-
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DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRγ: The arylethene derivative of the present invention was sequentially added to a 384 well plate from a concentration of 10 μM to a fina...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM485058
PNG
(US10934303, Cmpd No. 18i | US10934303, Example 28)
Show SMILES CCN1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C29H34N2O2/c1-2-30-18-20-31(21-19-30)26-14-10-24(11-15-26)29(25-12-16-27(33)17-13-25)28(9-6-22-32)23-7-4-3-5-8-23/h3-5,7-8,10-17,32-33H,2,6,9,18-22H2,1H3/b29-28+
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DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRγ: The arylethene derivative of the present invention was sequentially added to a 384 well plate from a concentration of 10 μM to a fina...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM485070
PNG
(US10934303, Cmpd No. 22q | US10934303, Example 68 ...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(cc1)N1CCN(CC1)C1CCC1)c1ccccc1
Show InChI InChI=1S/C31H36N2O2/c34-23-5-10-30(24-6-2-1-3-7-24)31(26-13-17-29(35)18-14-26)25-11-15-28(16-12-25)33-21-19-32(20-22-33)27-8-4-9-27/h1-3,6-7,11-18,27,34-35H,4-5,8-10,19-23H2/b31-30+
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DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRγ: The arylethene derivative of the present invention was sequentially added to a 384 well plate from a concentration of 10 μM to a fina...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM485066
PNG
(US10934303, Cmpd No. 22i | US10934303, Example 60 ...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(cc1)C1CCN(CC1)C1CC1)c1ccccc1
Show InChI InChI=1S/C31H35NO2/c33-22-4-7-30(25-5-2-1-3-6-25)31(27-12-16-29(34)17-13-27)26-10-8-23(9-11-26)24-18-20-32(21-19-24)28-14-15-28/h1-3,5-6,8-13,16-17,24,28,33-34H,4,7,14-15,18-22H2/b31-30+
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DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRγ: The arylethene derivative of the present invention was sequentially added to a 384 well plate from a concentration of 10 μM to a fina...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM485046
PNG
(US10934303, Cmpd No. 6f | US10934303, Example 6 | ...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CC2)cc1)c1ccccc1
Show InChI InChI=1S/C27H29NO3/c29-19-4-7-26(21-5-2-1-3-6-21)27(22-8-12-24(30)13-9-22)23-10-14-25(15-11-23)31-20-18-28-16-17-28/h1-3,5-6,8-15,29-30H,4,7,16-20H2/b27-26-
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DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRγ: The arylethene derivative of the present invention was sequentially added to a 384 well plate from a concentration of 10 μM to a fina...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM485055
PNG
(US10934303, Cmpd No. 18e | US10934303, Example 24 ...)
Show SMILES CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(Br)cc1
Show InChI InChI=1S/C30H35BrN2O/c1-23(2)32-18-20-33(21-19-32)28-16-12-26(13-17-28)30(25-10-14-27(31)15-11-25)29(9-6-22-34)24-7-4-3-5-8-24/h3-5,7-8,10-17,23,34H,6,9,18-22H2,1-2H3/b30-29-
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DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRγ: The arylethene derivative of the present invention was sequentially added to a 384 well plate from a concentration of 10 μM to a fina...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM485052
PNG
(US10934303, Cmpd No. 18a | US10934303, Example 20 ...)
Show SMILES CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C30H36N2O2/c1-23(2)31-18-20-32(21-19-31)27-14-10-25(11-15-27)30(26-12-16-28(34)17-13-26)29(9-6-22-33)24-7-4-3-5-8-24/h3-5,7-8,10-17,23,33-34H,6,9,18-22H2,1-2H3/b30-29+
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DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRγ: The arylethene derivative of the present invention was sequentially added to a 384 well plate from a concentration of 10 μM to a fina...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM485051
PNG
(US10934303, Cmpd No. 13b | US10934303, Example 16)
Show SMILES CN1CCCC1COc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(Br)cc1
Show InChI InChI=1S/C29H32BrNO2/c1-31-19-5-9-26(31)21-33-27-17-13-24(14-18-27)29(23-11-15-25(30)16-12-23)28(10-6-20-32)22-7-3-2-4-8-22/h2-4,7-8,11-18,26,32H,5-6,9-10,19-21H2,1H3/b29-28-
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DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRγ: The arylethene derivative of the present invention was sequentially added to a 384 well plate from a concentration of 10 μM to a fina...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM485045
PNG
(US10934303, Cmpd No. 6e | US10934303, Example 5 | ...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CCCC2)cc1)c1ccccc1
Show InChI InChI=1S/C29H33NO3/c31-21-6-9-28(23-7-2-1-3-8-23)29(24-10-14-26(32)15-11-24)25-12-16-27(17-13-25)33-22-20-30-18-4-5-19-30/h1-3,7-8,10-17,31-32H,4-6,9,18-22H2/b29-28-
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DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRγ: The arylethene derivative of the present invention was sequentially added to a 384 well plate from a concentration of 10 μM to a fina...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR2


(Homo sapiens (Human))
BDBM485072
PNG
(US10934303, Cmpd No. 27a | US10934303, Example 87)
Show SMILES CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(NCS(C)(=O)=O)cc1
Show InChI InChI=1S/C32H41N3O3S/c1-25(2)34-19-21-35(22-20-34)30-17-13-28(14-18-30)32(31(10-7-23-36)26-8-5-4-6-9-26)27-11-15-29(16-12-27)33-24-39(3,37)38/h4-6,8-9,11-18,25,33,36H,7,10,19-24H2,1-3H3/b32-31-
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DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRα/ERRβ/ERα : In an ERR beta binding assay, GST-bound ERR alpha LBD was used so that a final concentration was 10 nM and a fluoresce...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM485068
PNG
(US10934303, Cmpd No. 22m | US10934303, Example 64 ...)
Show SMILES CC(C)N1CCC(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1cccc(O)c1
Show InChI InChI=1S/C31H37NO2/c1-23(2)32-19-17-25(18-20-32)24-13-15-27(16-14-24)31(28-10-6-11-29(34)22-28)30(12-7-21-33)26-8-4-3-5-9-26/h3-6,8-11,13-16,22-23,25,33-34H,7,12,17-21H2,1-2H3/b31-30+
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DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRγ: The arylethene derivative of the present invention was sequentially added to a 384 well plate from a concentration of 10 μM to a fina...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM485073
PNG
(US10934303, Cmpd No. 38a | US10934303, Example 106...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CC3CC3C2)cc1)c1ccccc1
Show InChI InChI=1S/C30H33NO3/c32-17-4-7-29(22-5-2-1-3-6-22)30(23-8-12-27(33)13-9-23)24-10-14-28(15-11-24)34-18-16-31-20-25-19-26(25)21-31/h1-3,5-6,8-15,25-26,32-33H,4,7,16-21H2/b30-29-
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DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRγ: The arylethene derivative of the present invention was sequentially added to a 384 well plate from a concentration of 10 μM to a fina...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM485076
PNG
(US10934303, Cmpd No. 38d | US10934303, Example 109)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CC3CC3[C@H]2CO)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C31H35NO4/c33-17-4-7-28(22-5-2-1-3-6-22)31(23-8-12-26(35)13-9-23)24-10-14-27(15-11-24)36-18-16-32-20-25-19-29(25)30(32)21-34/h1-3,5-6,8-15,25,29-30,33-35H,4,7,16-21H2/b31-28-/t25?,29?,30-/m1/s1
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DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRγ: The arylethene derivative of the present invention was sequentially added to a 384 well plate from a concentration of 10 μM to a fina...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM485075
PNG
(US10934303, Cmpd No. 38c | US10934303, Example 108...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CCC[C@@H]2CO)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C30H35NO4/c32-20-5-9-29(23-6-2-1-3-7-23)30(24-10-14-27(34)15-11-24)25-12-16-28(17-13-25)35-21-19-31-18-4-8-26(31)22-33/h1-3,6-7,10-17,26,32-34H,4-5,8-9,18-22H2/b30-29-/t26-/m1/s1
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DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRγ: The arylethene derivative of the present invention was sequentially added to a 384 well plate from a concentration of 10 μM to a fina...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM485044
PNG
(US10934303, Cmpd No. 6d | US10934303, Example 4 | ...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1)c1ccccc1
Show InChI InChI=1S/C30H35NO3/c32-22-7-10-29(24-8-3-1-4-9-24)30(25-11-15-27(33)16-12-25)26-13-17-28(18-14-26)34-23-21-31-19-5-2-6-20-31/h1,3-4,8-9,11-18,32-33H,2,5-7,10,19-23H2/b30-29-
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DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRγ: The arylethene derivative of the present invention was sequentially added to a 384 well plate from a concentration of 10 μM to a fina...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM485065
PNG
(US10934303, Cmpd No. 22g | US10934303, Example 58 ...)
Show SMILES CC(C)N1CCC(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C31H37NO2/c1-23(2)32-20-18-25(19-21-32)24-10-12-27(13-11-24)31(28-14-16-29(34)17-15-28)30(9-6-22-33)26-7-4-3-5-8-26/h3-5,7-8,10-17,23,25,33-34H,6,9,18-22H2,1-2H3/b31-30+
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DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRγ: The arylethene derivative of the present invention was sequentially added to a 384 well plate from a concentration of 10 μM to a fina...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM485071
PNG
(US10934303, Cmpd No. 22t | US10934303, Example 71 ...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(cc1)C1CCN(C1)C1CC1)c1ccccc1
Show InChI InChI=1S/C30H33NO2/c32-20-4-7-29(23-5-2-1-3-6-23)30(25-12-16-28(33)17-13-25)24-10-8-22(9-11-24)26-18-19-31(21-26)27-14-15-27/h1-3,5-6,8-13,16-17,26-27,32-33H,4,7,14-15,18-21H2/b30-29+
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n/an/a 96n/an/an/an/an/an/a



DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRγ: The arylethene derivative of the present invention was sequentially added to a 384 well plate from a concentration of 10 μM to a fina...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM485069
PNG
(US10934303, Cmpd No. 22p | US10934303, Example 67)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(cc1)N1CCN(CC1)C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C33H40N2O2/c36-25-7-12-32(26-8-3-1-4-9-26)33(28-15-19-31(37)20-16-28)27-13-17-30(18-14-27)35-23-21-34(22-24-35)29-10-5-2-6-11-29/h1,3-4,8-9,13-20,29,36-37H,2,5-7,10-12,21-25H2/b33-32+
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n/an/a 99n/an/an/an/an/an/a



DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRγ: The arylethene derivative of the present invention was sequentially added to a 384 well plate from a concentration of 10 μM to a fina...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(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 107n/an/an/an/an/an/a



DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRγ: The arylethene derivative of the present invention was sequentially added to a 384 well plate from a concentration of 10 μM to a fina...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))
BDBM485074
PNG
(US10934303, Cmpd No. 38b | US10934303, Example 107...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CCC3(CCCC3)C2)cc1)c1ccccc1
Show InChI InChI=1S/C33H39NO3/c35-23-6-9-31(26-7-2-1-3-8-26)32(27-10-14-29(36)15-11-27)28-12-16-30(17-13-28)37-24-22-34-21-20-33(25-34)18-4-5-19-33/h1-3,7-8,10-17,35-36H,4-6,9,18-25H2/b32-31-
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n/an/a 256n/an/an/an/an/an/a



DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRα/ERRβ/ERα : In an ERR beta binding assay, GST-bound ERR alpha LBD was used so that a final concentration was 10 nM and a fluoresce...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM485044
PNG
(US10934303, Cmpd No. 6d | US10934303, Example 4 | ...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1)c1ccccc1
Show InChI InChI=1S/C30H35NO3/c32-22-7-10-29(24-8-3-1-4-9-24)30(25-11-15-27(33)16-12-25)26-13-17-28(18-14-26)34-23-21-31-19-5-2-6-20-31/h1,3-4,8-9,11-18,32-33H,2,5-7,10,19-23H2/b30-29-
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n/an/a 262n/an/an/an/an/an/a



DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRα/ERRβ/ERα : In an ERR beta binding assay, GST-bound ERR alpha LBD was used so that a final concentration was 10 nM and a fluoresce...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM485076
PNG
(US10934303, Cmpd No. 38d | US10934303, Example 109)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CC3CC3[C@H]2CO)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C31H35NO4/c33-17-4-7-28(22-5-2-1-3-6-22)31(23-8-12-26(35)13-9-23)24-10-14-27(15-11-24)36-18-16-32-20-25-19-29(25)30(32)21-34/h1-3,5-6,8-15,25,29-30,33-35H,4,7,16-21H2/b31-28-/t25?,29?,30-/m1/s1
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n/an/a 276n/an/an/an/an/an/a



DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRα/ERRβ/ERα : In an ERR beta binding assay, GST-bound ERR alpha LBD was used so that a final concentration was 10 nM and a fluoresce...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM485046
PNG
(US10934303, Cmpd No. 6f | US10934303, Example 6 | ...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CC2)cc1)c1ccccc1
Show InChI InChI=1S/C27H29NO3/c29-19-4-7-26(21-5-2-1-3-6-21)27(22-8-12-24(30)13-9-22)23-10-14-25(15-11-23)31-20-18-28-16-17-28/h1-3,5-6,8-15,29-30H,4,7,16-20H2/b27-26-
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n/an/a 296n/an/an/an/an/an/a



DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRα/ERRβ/ERα : In an ERR beta binding assay, GST-bound ERR alpha LBD was used so that a final concentration was 10 nM and a fluoresce...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM485047
PNG
(US10934303, Cmpd No. 6g | US10934303, Example 10 |...)
Show SMILES CN1CCCC1CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C30H35NO3/c1-31-20-5-9-26(31)19-22-34-28-17-13-25(14-18-28)30(24-11-15-27(33)16-12-24)29(10-6-21-32)23-7-3-2-4-8-23/h2-4,7-8,11-18,26,32-33H,5-6,9-10,19-22H2,1H3/b30-29-
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n/an/a 331n/an/an/an/an/an/a



DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRα/ERRβ/ERα : In an ERR beta binding assay, GST-bound ERR alpha LBD was used so that a final concentration was 10 nM and a fluoresce...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM485045
PNG
(US10934303, Cmpd No. 6e | US10934303, Example 5 | ...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CCCC2)cc1)c1ccccc1
Show InChI InChI=1S/C29H33NO3/c31-21-6-9-28(23-7-2-1-3-8-23)29(24-10-14-26(32)15-11-24)25-12-16-27(17-13-25)33-22-20-30-18-4-5-19-30/h1-3,7-8,10-17,31-32H,4-6,9,18-22H2/b29-28-
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n/an/a 408n/an/an/an/an/an/a



DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRα/ERRβ/ERα : In an ERR beta binding assay, GST-bound ERR alpha LBD was used so that a final concentration was 10 nM and a fluoresce...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM485075
PNG
(US10934303, Cmpd No. 38c | US10934303, Example 108...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CCC[C@@H]2CO)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C30H35NO4/c32-20-5-9-29(23-6-2-1-3-7-23)30(24-10-14-27(34)15-11-24)25-12-16-28(17-13-25)35-21-19-31-18-4-8-26(31)22-33/h1-3,6-7,10-17,26,32-34H,4-5,8-9,18-22H2/b30-29-/t26-/m1/s1
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n/an/a 408n/an/an/an/an/an/a



DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRα/ERRβ/ERα : In an ERR beta binding assay, GST-bound ERR alpha LBD was used so that a final concentration was 10 nM and a fluoresce...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM485072
PNG
(US10934303, Cmpd No. 27a | US10934303, Example 87)
Show SMILES CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(NCS(C)(=O)=O)cc1
Show InChI InChI=1S/C32H41N3O3S/c1-25(2)34-19-21-35(22-20-34)30-17-13-28(14-18-30)32(31(10-7-23-36)26-8-5-4-6-9-26)27-11-15-29(16-12-27)33-24-39(3,37)38/h4-6,8-9,11-18,25,33,36H,7,10,19-24H2,1-3H3/b32-31-
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n/an/a 413n/an/an/an/an/an/a



DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRα/ERRβ/ERα : In an ERR beta binding assay, GST-bound ERR alpha LBD was used so that a final concentration was 10 nM and a fluoresce...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM485073
PNG
(US10934303, Cmpd No. 38a | US10934303, Example 106...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CC3CC3C2)cc1)c1ccccc1
Show InChI InChI=1S/C30H33NO3/c32-17-4-7-29(22-5-2-1-3-6-22)30(23-8-12-27(33)13-9-23)24-10-14-28(15-11-24)34-18-16-31-20-25-19-26(25)21-31/h1-3,5-6,8-15,25-26,32-33H,4,7,16-21H2/b30-29-
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n/an/a 437n/an/an/an/an/an/a



DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRα/ERRβ/ERα : In an ERR beta binding assay, GST-bound ERR alpha LBD was used so that a final concentration was 10 nM and a fluoresce...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR2


(Homo sapiens (Human))
BDBM485053
PNG
(US10934303, Cmpd No. 18b | US10934303, Example 21 ...)
Show SMILES CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(C)cc1
Show InChI InChI=1S/C31H38N2O/c1-24(2)32-19-21-33(22-20-32)29-17-15-28(16-18-29)31(27-13-11-25(3)12-14-27)30(10-7-23-34)26-8-5-4-6-9-26/h4-6,8-9,11-18,24,34H,7,10,19-23H2,1-3H3/b31-30-
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n/an/a 861n/an/an/an/an/an/a



DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRα/ERRβ/ERα : In an ERR beta binding assay, GST-bound ERR alpha LBD was used so that a final concentration was 10 nM and a fluoresce...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR2


(Homo sapiens (Human))
BDBM485062
PNG
(US10934303, Cmpd No. 20a | US10934303, Example 40 ...)
Show SMILES OCCC\C(=C(/c1ccc(Br)cc1)c1ccc(cc1)N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C27H29BrN2O/c28-24-12-8-22(9-13-24)27(26(7-4-20-31)21-5-2-1-3-6-21)23-10-14-25(15-11-23)30-18-16-29-17-19-30/h1-3,5-6,8-15,29,31H,4,7,16-20H2/b27-26-
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n/an/a 980n/an/an/an/an/an/a



DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRα/ERRβ/ERα : In an ERR beta binding assay, GST-bound ERR alpha LBD was used so that a final concentration was 10 nM and a fluoresce...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR2


(Homo sapiens (Human))
BDBM485055
PNG
(US10934303, Cmpd No. 18e | US10934303, Example 24 ...)
Show SMILES CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(Br)cc1
Show InChI InChI=1S/C30H35BrN2O/c1-23(2)32-18-20-33(21-19-32)28-16-12-26(13-17-28)30(25-10-14-27(31)15-11-25)29(9-6-22-34)24-7-4-3-5-8-24/h3-5,7-8,10-17,23,34H,6,9,18-22H2,1-2H3/b30-29-
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n/an/a 990n/an/an/an/an/an/a



DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRα/ERRβ/ERα : In an ERR beta binding assay, GST-bound ERR alpha LBD was used so that a final concentration was 10 nM and a fluoresce...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM485064
PNG
(US10934303, Cmpd No. 20j | US10934303, Example 49)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(cc1)N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C27H30N2O2/c30-20-4-7-26(21-5-2-1-3-6-21)27(23-10-14-25(31)15-11-23)22-8-12-24(13-9-22)29-18-16-28-17-19-29/h1-3,5-6,8-15,28,30-31H,4,7,16-20H2/b27-26+
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n/an/a 992n/an/an/an/an/an/a



DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRα/ERRβ/ERα : In an ERR beta binding assay, GST-bound ERR alpha LBD was used so that a final concentration was 10 nM and a fluoresce...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR2


(Homo sapiens (Human))
BDBM485053
PNG
(US10934303, Cmpd No. 18b | US10934303, Example 21 ...)
Show SMILES CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(C)cc1
Show InChI InChI=1S/C31H38N2O/c1-24(2)32-19-21-33(22-20-32)29-17-15-28(16-18-29)31(27-13-11-25(3)12-14-27)30(10-7-23-34)26-8-5-4-6-9-26/h4-6,8-9,11-18,24,34H,7,10,19-23H2,1-3H3/b31-30-
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n/an/a 1.02E+3n/an/an/an/an/an/a



DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRα/ERRβ/ERα : In an ERR beta binding assay, GST-bound ERR alpha LBD was used so that a final concentration was 10 nM and a fluoresce...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR2


(Homo sapiens (Human))
BDBM485059
PNG
(US10934303, Cmpd No. 18j | US10934303, Example 29 ...)
Show SMILES CCN1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(C)cc1
Show InChI InChI=1S/C30H36N2O/c1-3-31-19-21-32(22-20-31)28-17-15-27(16-18-28)30(26-13-11-24(2)12-14-26)29(10-7-23-33)25-8-5-4-6-9-25/h4-6,8-9,11-18,33H,3,7,10,19-23H2,1-2H3/b30-29-
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n/an/a 1.05E+3n/an/an/an/an/an/a



DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRα/ERRβ/ERα : In an ERR beta binding assay, GST-bound ERR alpha LBD was used so that a final concentration was 10 nM and a fluoresce...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
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