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Compile Data Set for Download or QSAR

Found 104 hits Enz. Inhib. hit(s) with Target = 'G-protein coupled estrogen receptor 1'   
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
G-protein coupled estrogen receptor 1


(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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5.70n/an/an/an/an/an/an/an/a



University of Pittsburgh Chemical Diversity Center (UP-CDC)

Curated by ChEMBL


Assay Description
Inhibition of estrogen binding to GPR30 (unknown origin)


J Med Chem 56: 7161-76 (2013)


Article DOI: 10.1021/jm400132d
BindingDB Entry DOI: 10.7270/Q2V69M09
More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(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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5.70n/an/an/an/an/an/an/an/a



University of New Mexico Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of E2-Alexa633 from GFP-tagged GPR30 expressed in COS7 cells by FACS


Nat Chem Biol 2: 207-12 (2006)


Article DOI: 10.1038/nchembio775
BindingDB Entry DOI: 10.7270/Q2ZK5GV2
More data for this
Ligand-Target Pair
G-protein-coupled receptor (GPR30 )


(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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9n/an/an/an/an/an/an/an/a



University of New Mexico Health Sciences Center



Assay Description
Competitive binding of estrogen to GPR30 and ER alpha were conducted using COS-7 cells transfected with GPR30-GFP or ER alpha-GFP and fluorescent est...


ACS Chem Biol 2: 536-44 (2007)


Article DOI: 10.1021/cb700072n
BindingDB Entry DOI: 10.7270/Q2V69GXR
More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens)
BDBM50303803
PNG
(1-((3aS,4R,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl...)
Show SMILES CC(=O)c1ccc2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1cc2OCOc2cc1Br
Show InChI InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m1/s1
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11n/an/an/an/an/an/an/an/a



University of Pittsburgh Chemical Diversity Center (UP-CDC)

Curated by ChEMBL


Assay Description
Inhibition of estrogen binding to GPR30 (unknown origin)


J Med Chem 56: 7161-76 (2013)


Article DOI: 10.1021/jm400132d
BindingDB Entry DOI: 10.7270/Q2V69M09
More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens)
BDBM50303803
PNG
(1-((3aS,4R,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl...)
Show SMILES CC(=O)c1ccc2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1cc2OCOc2cc1Br
Show InChI InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m1/s1
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11n/an/an/an/an/an/an/an/a



University of New Mexico Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of E2-Alexa633 from GFP-tagged GPR30 expressed in COS7 cells by FACS


Nat Chem Biol 2: 207-12 (2006)


Article DOI: 10.1038/nchembio775
BindingDB Entry DOI: 10.7270/Q2ZK5GV2
More data for this
Ligand-Target Pair
G-protein-coupled receptor (GPR30 )


(Homo sapiens)
BDBM36493
PNG
(E2-NB)
Show SMILES CC(C)(C)OC(=O)NCc1ccc(cc1)C#C[C@]1(O)CCC2C3CCc4cc(O)ccc4C3CC[C@]12C
Show InChI InChI=1S/C32H39NO4/c1-30(2,3)37-29(35)33-20-22-7-5-21(6-8-22)13-17-32(36)18-15-28-27-11-9-23-19-24(34)10-12-25(23)26(27)14-16-31(28,32)4/h5-8,10,12,19,26-28,34,36H,9,11,14-16,18,20H2,1-4H3,(H,33,35)/t26?,27?,28?,31-,32-/m0/s1
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16n/an/an/an/an/an/an/an/a



University of New Mexico Health Sciences Center



Assay Description
Competitive binding of estrogen to GPR30 and ER alpha were conducted using COS-7 cells transfected with GPR30-GFP or ER alpha-GFP and fluorescent est...


ACS Chem Biol 2: 536-44 (2007)


Article DOI: 10.1021/cb700072n
BindingDB Entry DOI: 10.7270/Q2V69GXR
More data for this
Ligand-Target Pair
G-protein-coupled receptor (GPR30 )


(Homo sapiens)
BDBM36492
PNG
(E2-NMe3+)
Show SMILES C[C@]12CCC3C(CCc4cc(O)ccc34)C1CC[C@@]2(O)C#Cc1ccc(cc1)[N+](C)(C)C
Show InChI InChI=1S/C29H35NO2/c1-28-16-14-25-24-12-10-23(31)19-21(24)7-11-26(25)27(28)15-18-29(28,32)17-13-20-5-8-22(9-6-20)30(2,3)4/h5-6,8-10,12,19,25-27,32H,7,11,14-16,18H2,1-4H3/p+1/t25?,26?,27?,28-,29-/m0/s1
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17n/an/an/an/an/an/an/an/a



University of New Mexico Health Sciences Center



Assay Description
Competitive binding of estrogen to GPR30 and ER alpha were conducted using COS-7 cells transfected with GPR30-GFP or ER alpha-GFP and fluorescent est...


ACS Chem Biol 2: 536-44 (2007)


Article DOI: 10.1021/cb700072n
BindingDB Entry DOI: 10.7270/Q2V69GXR
More data for this
Ligand-Target Pair
G-protein-coupled receptor (GPR30 )


(Homo sapiens)
BDBM36490
PNG
(E2-NH3+)
Show SMILES C[C@]12CCC3C(CCc4cc(O)ccc34)C1CC[C@@]2(O)C#Cc1ccc(C[NH3+])cc1
Show InChI InChI=1S/C27H31NO2/c1-26-13-11-23-22-9-7-21(29)16-20(22)6-8-24(23)25(26)12-15-27(26,30)14-10-18-2-4-19(17-28)5-3-18/h2-5,7,9,16,23-25,29-30H,6,8,11-13,15,17,28H2,1H3/p+1/t23?,24?,25?,26-,27-/m0/s1
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25n/an/an/an/an/an/an/an/a



University of New Mexico Health Sciences Center



Assay Description
Competitive binding of estrogen to GPR30 and ER alpha were conducted using COS-7 cells transfected with GPR30-GFP or ER alpha-GFP and fluorescent est...


ACS Chem Biol 2: 536-44 (2007)


Article DOI: 10.1021/cb700072n
BindingDB Entry DOI: 10.7270/Q2V69GXR
More data for this
Ligand-Target Pair
G-protein-coupled receptor (GPR30 )


(Homo sapiens)
BDBM36491
PNG
(E2-COO-)
Show SMILES C[C@]12CCC3C(CCc4cc(O)ccc34)C1CC[C@@]2(O)C#Cc1cccc(c1)C([O-])=O
Show InChI InChI=1S/C27H28O4/c1-26-12-10-22-21-8-6-20(28)16-18(21)5-7-23(22)24(26)11-14-27(26,31)13-9-17-3-2-4-19(15-17)25(29)30/h2-4,6,8,15-16,22-24,28,31H,5,7,10-12,14H2,1H3,(H,29,30)/p-1/t22?,23?,24?,26-,27-/m0/s1
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30n/an/an/an/an/an/an/an/a



University of New Mexico Health Sciences Center



Assay Description
Competitive binding of estrogen to GPR30 and ER alpha were conducted using COS-7 cells transfected with GPR30-GFP or ER alpha-GFP and fluorescent est...


ACS Chem Biol 2: 536-44 (2007)


Article DOI: 10.1021/cb700072n
BindingDB Entry DOI: 10.7270/Q2V69GXR
More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens)
BDBM288677
PNG
(US10087191, Example 94)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F
Show InChI InChI=1S/C24H24F3N3O2/c1-13-8-16-15(5-6-20-17(16)11-28-29-20)23(30(13)12-24(2,3)27)22-18(25)9-14(10-19(22)26)4-7-21(31)32/h4-7,9-11,13,23H,8,12H2,1-3H3,(H,28,29)(H,31,32)/b7-4+/t13-,23+/m1/s1
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US Patent
n/an/a 0.0400n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The compounds of the present invention have an inhibition effect on the binding of E (estrogen) to ER (estrogen receptor), thereby blocking the bindi...


US Patent US10087191 (2018)

More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens)
BDBM288659
PNG
(US10087191, Example 74)
Show SMILES C[C@@H]1Cc2c(oc3cccc(F)c23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F
Show InChI InChI=1S/C25H23F4NO3/c1-13-9-15-21-16(26)5-4-6-19(21)33-24(15)23(30(13)12-25(2,3)29)22-17(27)10-14(11-18(22)28)7-8-20(31)32/h4-8,10-11,13,23H,9,12H2,1-3H3,(H,31,32)/b8-7+/t13-,23-/m1/s1
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n/an/a 0.210n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The compounds of the present invention have an inhibition effect on the binding of E (estrogen) to ER (estrogen receptor), thereby blocking the bindi...


US Patent US10087191 (2018)

More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens)
BDBM288672
PNG
((E)-3-(3,5-difluoro-4-((1R,3R/1S,3S)-2-(2-fluoro-2...)
Show SMILES CC1Cc2c(oc3ccc(cc23)-c2cnn(C)c2)C(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F
Show InChI InChI=1S/C29H28F3N3O3/c1-16-9-21-20-12-18(19-13-33-34(4)14-19)6-7-24(20)38-28(21)27(35(16)15-29(2,3)32)26-22(30)10-17(11-23(26)31)5-8-25(36)37/h5-8,10-14,16,27H,9,15H2,1-4H3,(H,36,37)/b8-5+
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n/an/a 0.210n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The compounds of the present invention have an inhibition effect on the binding of E (estrogen) to ER (estrogen receptor), thereby blocking the bindi...


US Patent US10087191 (2018)

More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens)
BDBM288680
PNG
(US10087191, Example 97)
Show SMILES CCn1cc(cn1)-c1ccc2oc3[C@H](N(CC(C)(C)F)[C@H](C)Cc3c2c1)c1c(F)cc(\C=C\C(O)=O)cc1F
Show InChI InChI=1S/C30H30F3N3O3/c1-5-35-15-20(14-34-35)19-7-8-25-21(13-19)22-10-17(2)36(16-30(3,4)33)28(29(22)39-25)27-23(31)11-18(12-24(27)32)6-9-26(37)38/h6-9,11-15,17,28H,5,10,16H2,1-4H3,(H,37,38)/b9-6+/t17-,28-/m1/s1
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n/an/a 0.240n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The compounds of the present invention have an inhibition effect on the binding of E (estrogen) to ER (estrogen receptor), thereby blocking the bindi...


US Patent US10087191 (2018)

More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens)
BDBM288611
PNG
( (E)-3-(4-((1S,3R)-6-(1-(difluoromethyl)-1H-pyrazo...)
Show SMILES C[C@@H]1Cc2cc(ccc2[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F)-c1cnn(c1)C(F)F
Show InChI InChI=1S/C27H26F5N3O2/c1-15-8-18-11-17(19-12-33-35(13-19)26(30)31)5-6-20(18)25(34(15)14-27(2,3)32)24-21(28)9-16(10-22(24)29)4-7-23(36)37/h4-7,9-13,15,25-26H,8,14H2,1-3H3,(H,36,37)/b7-4+/t15-,25+/m1/s1
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n/an/a 0.290n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The compounds of the present invention have an inhibition effect on the binding of E (estrogen) to ER (estrogen receptor), thereby blocking the bindi...


US Patent US10087191 (2018)

More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens)
BDBM288653
PNG
(US10087191, Example 68)
Show SMILES C[C@@H]1Cc2c(oc3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F
Show InChI InChI=1S/C25H24F3NO3/c1-14-10-17-16-6-4-5-7-20(16)32-24(17)23(29(14)13-25(2,3)28)22-18(26)11-15(12-19(22)27)8-9-21(30)31/h4-9,11-12,14,23H,10,13H2,1-3H3,(H,30,31)/b9-8+/t14-,23-/m1/s1
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n/an/a 0.310n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The compounds of the present invention have an inhibition effect on the binding of E (estrogen) to ER (estrogen receptor), thereby blocking the bindi...


US Patent US10087191 (2018)

More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens)
BDBM288605
PNG
((E)-3-(3,5-difluoro-4-((1S,3R/1R,3S)-2-(2-fluoro-2...)
Show SMILES CC1Cc2cc(ccc2C(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F)C#Cc1cnn(C)c1
Show InChI InChI=1S/C29H28F3N3O2/c1-18-11-22-12-19(5-6-21-15-33-34(4)16-21)7-9-23(22)28(35(18)17-29(2,3)32)27-24(30)13-20(14-25(27)31)8-10-26(36)37/h7-10,12-16,18,28H,11,17H2,1-4H3,(H,36,37)/b10-8+
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n/an/a 0.320n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The compounds of the present invention have an inhibition effect on the binding of E (estrogen) to ER (estrogen receptor), thereby blocking the bindi...


US Patent US10087191 (2018)

More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens)
BDBM288616
PNG
(US10087191, Example 21)
Show SMILES CCn1cc(cn1)-c1ccc2[C@H](N(CC(C)(C)F)[C@H](C)Cc2c1)c1c(F)cc(\C=C\C(O)=O)cc1F
Show InChI InChI=1S/C28H30F3N3O2/c1-5-33-15-21(14-32-33)19-7-8-22-20(13-19)10-17(2)34(16-28(3,4)31)27(22)26-23(29)11-18(12-24(26)30)6-9-25(35)36/h6-9,11-15,17,27H,5,10,16H2,1-4H3,(H,35,36)/b9-6+/t17-,27+/m1/s1
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n/an/a 0.320n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The compounds of the present invention have an inhibition effect on the binding of E (estrogen) to ER (estrogen receptor), thereby blocking the bindi...


US Patent US10087191 (2018)

More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens)
BDBM288643
PNG
(US10087191, Example 57)
Show SMILES C[C@@H]1Cc2cc(ccc2[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F)-c1cnn(C)c1
Show InChI InChI=1S/C27H28F3N3O2/c1-16-9-19-12-18(20-13-31-32(4)14-20)6-7-21(19)26(33(16)15-27(2,3)30)25-22(28)10-17(11-23(25)29)5-8-24(34)35/h5-8,10-14,16,26H,9,15H2,1-4H3,(H,34,35)/b8-5+/t16-,26+/m1/s1
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n/an/a 0.330n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The compounds of the present invention have an inhibition effect on the binding of E (estrogen) to ER (estrogen receptor), thereby blocking the bindi...


US Patent US10087191 (2018)

More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens)
BDBM288673
PNG
((E)-3-(3,5-difluoro-4-((1R,3R/1S,3S)-2-(2-fluoro-2...)
Show SMILES CC1Cc2c(oc3ccc(cc23)-c2cccnc2)C(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F
Show InChI InChI=1S/C30H27F3N2O3/c1-17-11-22-21-14-19(20-5-4-10-34-15-20)7-8-25(21)38-29(22)28(35(17)16-30(2,3)33)27-23(31)12-18(13-24(27)32)6-9-26(36)37/h4-10,12-15,17,28H,11,16H2,1-3H3,(H,36,37)/b9-6+
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n/an/a 0.360n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The compounds of the present invention have an inhibition effect on the binding of E (estrogen) to ER (estrogen receptor), thereby blocking the bindi...


US Patent US10087191 (2018)

More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens)
BDBM288675
PNG
((E)-3-(3,5-difluoro-4-((6S,8R/6R,8S)-(7-isobutyl-8...)
Show SMILES CC(C)CN1C(C)Cc2c(ccc3[nH]ncc23)C1c1c(F)cc(\C=C\C(O)=O)cc1F
Show InChI InChI=1S/C24H25F2N3O2/c1-13(2)12-29-14(3)8-17-16(5-6-21-18(17)11-27-28-21)24(29)23-19(25)9-15(10-20(23)26)4-7-22(30)31/h4-7,9-11,13-14,24H,8,12H2,1-3H3,(H,27,28)(H,30,31)/b7-4+
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n/an/a 0.430n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The compounds of the present invention have an inhibition effect on the binding of E (estrogen) to ER (estrogen receptor), thereby blocking the bindi...


US Patent US10087191 (2018)

More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens)
BDBM288658
PNG
((E)-3-(3,5-difluoro-4-((1R,3R/1S,3S)-5-fluoro-2-(2...)
Show SMILES CC1Cc2c(oc3cccc(F)c23)C(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F
Show InChI InChI=1S/C25H23F4NO3/c1-13-9-15-21-16(26)5-4-6-19(21)33-24(15)23(30(13)12-25(2,3)29)22-17(27)10-14(11-18(22)28)7-8-20(31)32/h4-8,10-11,13,23H,9,12H2,1-3H3,(H,31,32)/b8-7+
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n/an/a 0.450n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The compounds of the present invention have an inhibition effect on the binding of E (estrogen) to ER (estrogen receptor), thereby blocking the bindi...


US Patent US10087191 (2018)

More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens)
BDBM288619
PNG
(US10087191, Example 25)
Show SMILES C[C@@H]1Cc2cc(ccc2[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F)-c1cnnc1
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n/an/a 0.510n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The compounds of the present invention have an inhibition effect on the binding of E (estrogen) to ER (estrogen receptor), thereby blocking the bindi...


US Patent US10087191 (2018)

More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens)
BDBM288684
PNG
((E)-3-(4-((6R,8R/6S,8S)-7-isobutyl-8-methyl-6,7,8,...)
Show SMILES CC(C)CN1C(C)Cc2c(ccc3[nH]ncc23)C1c1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C24H27N3O2/c1-15(2)14-27-16(3)12-20-19(9-10-22-21(20)13-25-26-22)24(27)18-7-4-17(5-8-18)6-11-23(28)29/h4-11,13,15-16,24H,12,14H2,1-3H3,(H,25,26)(H,28,29)/b11-6+
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n/an/a 0.640n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The compounds of the present invention have an inhibition effect on the binding of E (estrogen) to ER (estrogen receptor), thereby blocking the bindi...


US Patent US10087191 (2018)

More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens)
BDBM288608
PNG
((E)-3-(3,5-difluoro-4-((1S,3R)-2-(2-fluoro-2-methy...)
Show SMILES C[C@@H]1Cc2cc(ccc2[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F)-c1cnc(C)s1
Show InChI InChI=1S/C27H27F3N2O2S/c1-15-9-19-12-18(23-13-31-16(2)35-23)6-7-20(19)26(32(15)14-27(3,4)30)25-21(28)10-17(11-22(25)29)5-8-24(33)34/h5-8,10-13,15,26H,9,14H2,1-4H3,(H,33,34)/b8-5+/t15-,26+/m1/s1
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The compounds of the present invention have an inhibition effect on the binding of E (estrogen) to ER (estrogen receptor), thereby blocking the bindi...


US Patent US10087191 (2018)

More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens)
BDBM288601
PNG
((E)-3-(3,5-difluoro-4-((1S,3R/1R,3S)-2-(2-fluoro-2...)
Show SMILES CC1Cc2cc(O)ccc2C(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F
Show InChI InChI=1S/C23H24F3NO3/c1-13-8-15-11-16(28)5-6-17(15)22(27(13)12-23(2,3)26)21-18(24)9-14(10-19(21)25)4-7-20(29)30/h4-7,9-11,13,22,28H,8,12H2,1-3H3,(H,29,30)/b7-4+
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n/an/a 0.720n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The compounds of the present invention have an inhibition effect on the binding of E (estrogen) to ER (estrogen receptor), thereby blocking the bindi...


US Patent US10087191 (2018)

More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens)
BDBM288602
PNG
((E)-3-(3,5-difluoro-4-((1R,3R/1S,3S)-2-(2-fluoro-2...)
Show SMILES CC1Cc2c(oc3ccccc23)C(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F
Show InChI InChI=1S/C25H24F3NO3/c1-14-10-17-16-6-4-5-7-20(16)32-24(17)23(29(14)13-25(2,3)28)22-18(26)11-15(12-19(22)27)8-9-21(30)31/h4-9,11-12,14,23H,10,13H2,1-3H3,(H,30,31)/b9-8+
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The compounds of the present invention have an inhibition effect on the binding of E (estrogen) to ER (estrogen receptor), thereby blocking the bindi...


US Patent US10087191 (2018)

More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens)
BDBM288656
PNG
(US10087191, Example 71)
Show SMILES C[C@@H]1Cc2cc3OCOc3cc2[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F
Show InChI InChI=1S/C24H24F3NO4/c1-13-6-15-9-19-20(32-12-31-19)10-16(15)23(28(13)11-24(2,3)27)22-17(25)7-14(8-18(22)26)4-5-21(29)30/h4-5,7-10,13,23H,6,11-12H2,1-3H3,(H,29,30)/b5-4+/t13-,23+/m1/s1
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n/an/a 0.740n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The compounds of the present invention have an inhibition effect on the binding of E (estrogen) to ER (estrogen receptor), thereby blocking the bindi...


US Patent US10087191 (2018)

More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens)
BDBM288436
PNG
((E)-3-(3,5-difluoro-4-((5S,7R/5R,7S)-6-(2-fluoro-2...)
Show SMILES CC1Cc2cc3OCOc3cc2C(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F
Show InChI InChI=1S/C24H24F3NO4/c1-13-6-15-9-19-20(32-12-31-19)10-16(15)23(28(13)11-24(2,3)27)22-17(25)7-14(8-18(22)26)4-5-21(29)30/h4-5,7-10,13,23H,6,11-12H2,1-3H3,(H,29,30)/b5-4+
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n/an/a 0.770n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The compounds of the present invention have an inhibition effect on the binding of E (estrogen) to ER (estrogen receptor), thereby blocking the bindi...


US Patent US10087191 (2018)

More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens)
BDBM288655
PNG
((E)-3-(3,5-difluoro-4-((6S,8R/6R,8S)-7-(2-fluoro-2...)
Show SMILES CC1Cc2c(ccc3[nH]ncc23)C(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F
Show InChI InChI=1S/C24H24F3N3O2/c1-13-8-16-15(5-6-20-17(16)11-28-29-20)23(30(13)12-24(2,3)27)22-18(25)9-14(10-19(22)26)4-7-21(31)32/h4-7,9-11,13,23H,8,12H2,1-3H3,(H,28,29)(H,31,32)/b7-4+
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The compounds of the present invention have an inhibition effect on the binding of E (estrogen) to ER (estrogen receptor), thereby blocking the bindi...


US Patent US10087191 (2018)

More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens)
BDBM288642
PNG
((E)-3-(3,5-difluoro-4-((1S,3R/1R,3S)-2-(2-fluoro-2...)
Show SMILES CC1Cc2cc(ccc2C(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F)-c1cnn(C)c1
Show InChI InChI=1S/C27H28F3N3O2/c1-16-9-19-12-18(20-13-31-32(4)14-20)6-7-21(19)26(33(16)15-27(2,3)30)25-22(28)10-17(11-23(25)29)5-8-24(34)35/h5-8,10-14,16,26H,9,15H2,1-4H3,(H,34,35)/b8-5+
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n/an/a 0.820n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The compounds of the present invention have an inhibition effect on the binding of E (estrogen) to ER (estrogen receptor), thereby blocking the bindi...


US Patent US10087191 (2018)

More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens)
BDBM288644
PNG
((E)-3-(4-((1S,3R/1R,3S)-6-(1-cyclopropyl-1H-pyrazo...)
Show SMILES CC1Cc2cc(ccc2C(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F)-c1cnn(c1)C1CC1
Show InChI InChI=1S/C29H30F3N3O2/c1-17-10-20-13-19(21-14-33-35(15-21)22-6-7-22)5-8-23(20)28(34(17)16-29(2,3)32)27-24(30)11-18(12-25(27)31)4-9-26(36)37/h4-5,8-9,11-15,17,22,28H,6-7,10,16H2,1-3H3,(H,36,37)/b9-4+
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n/an/a 0.840n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The compounds of the present invention have an inhibition effect on the binding of E (estrogen) to ER (estrogen receptor), thereby blocking the bindi...


US Patent US10087191 (2018)

More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens)
BDBM288681
PNG
(US10087191, Example 98)
Show SMILES CC(C)CN1[C@H](C)Cc2cc(ccc2[C@H]1c1c(F)cc(\C=C\C(O)=O)cc1F)-c1ccc2cnccc2c1
Show InChI InChI=1S/C32H30F2N2O2/c1-19(2)18-36-20(3)12-26-16-23(22-5-6-25-17-35-11-10-24(25)15-22)7-8-27(26)32(36)31-28(33)13-21(14-29(31)34)4-9-30(37)38/h4-11,13-17,19-20,32H,12,18H2,1-3H3,(H,37,38)/b9-4+/t20-,32+/m1/s1
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n/an/a 0.850n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The compounds of the present invention have an inhibition effect on the binding of E (estrogen) to ER (estrogen receptor), thereby blocking the bindi...


US Patent US10087191 (2018)

More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens)
BDBM288615
PNG
((E)-3-(4-((1S,3R/1R,3S)-6-(1-ethyl-1H-pyrazol -4-y...)
Show SMILES CCn1cc(cn1)-c1ccc2C(N(CC(C)(C)F)C(C)Cc2c1)c1c(F)cc(\C=C\C(O)=O)cc1F
Show InChI InChI=1S/C28H30F3N3O2/c1-5-33-15-21(14-32-33)19-7-8-22-20(13-19)10-17(2)34(16-28(3,4)31)27(22)26-23(29)11-18(12-24(26)30)6-9-25(35)36/h6-9,11-15,17,27H,5,10,16H2,1-4H3,(H,35,36)/b9-6+
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n/an/a 0.860n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The compounds of the present invention have an inhibition effect on the binding of E (estrogen) to ER (estrogen receptor), thereby blocking the bindi...


US Patent US10087191 (2018)

More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens)
BDBM288633
PNG
((E)-3-(3,5-difluoro-4-((1S,3R/1R,3S)-5-fluoro-2-(2...)
Show SMILES CC1Cc2c(F)c(ccc2C(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F)-c1cnn(C)c1
Show InChI InChI=1S/C27H27F4N3O2/c1-15-9-20-19(7-6-18(25(20)30)17-12-32-33(4)13-17)26(34(15)14-27(2,3)31)24-21(28)10-16(11-22(24)29)5-8-23(35)36/h5-8,10-13,15,26H,9,14H2,1-4H3,(H,35,36)/b8-5+
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n/an/a 0.870n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The compounds of the present invention have an inhibition effect on the binding of E (estrogen) to ER (estrogen receptor), thereby blocking the bindi...


US Patent US10087191 (2018)

More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens)
BDBM288650
PNG
(US10087191, Example 64)
Show SMILES C[C@@H]1Cc2cc(ccc2[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F)-c1ccc2ncccc2c1
Show InChI InChI=1S/C32H29F3N2O2/c1-19-13-24-17-21(22-8-10-28-23(16-22)5-4-12-36-28)7-9-25(24)31(37(19)18-32(2,3)35)30-26(33)14-20(15-27(30)34)6-11-29(38)39/h4-12,14-17,19,31H,13,18H2,1-3H3,(H,38,39)/b11-6+/t19-,31+/m1/s1
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n/an/a 1.07n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The compounds of the present invention have an inhibition effect on the binding of E (estrogen) to ER (estrogen receptor), thereby blocking the bindi...


US Patent US10087191 (2018)

More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens)
BDBM288613
PNG
((E)-3-(4-((1S,3R/1R,3S)-6-(1-ethyl-1H-pyrazol-4-yl...)
Show SMILES CCn1cc(cn1)-c1cc2CC(C)N(CC(C)(C)F)C(c2cc1F)c1c(F)cc(\C=C\C(O)=O)cc1F
Show InChI InChI=1S/C28H29F4N3O2/c1-5-34-14-19(13-33-34)20-11-18-8-16(2)35(15-28(3,4)32)27(21(18)12-22(20)29)26-23(30)9-17(10-24(26)31)6-7-25(36)37/h6-7,9-14,16,27H,5,8,15H2,1-4H3,(H,36,37)/b7-6+
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n/an/a 1.17n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The compounds of the present invention have an inhibition effect on the binding of E (estrogen) to ER (estrogen receptor), thereby blocking the bindi...


US Patent US10087191 (2018)

More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens)
BDBM288671
PNG
((E)-3-(3,5-difluoro-4-((1R,3R/1S,3S)-2-(2-fluoro-2...)
Show SMILES CC1Cc2c(oc3ccc(cc23)-c2cn[nH]c2)C(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F
Show InChI InChI=1S/C28H26F3N3O3/c1-15-8-20-19-11-17(18-12-32-33-13-18)5-6-23(19)37-27(20)26(34(15)14-28(2,3)31)25-21(29)9-16(10-22(25)30)4-7-24(35)36/h4-7,9-13,15,26H,8,14H2,1-3H3,(H,32,33)(H,35,36)/b7-4+
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n/an/a 1.22n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The compounds of the present invention have an inhibition effect on the binding of E (estrogen) to ER (estrogen receptor), thereby blocking the bindi...


US Patent US10087191 (2018)

More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens)
BDBM288603
PNG
((E)-3-(3,5-difluoro-4-((1R,3R/1S,3S)-2-(2-fluoro-2...)
Show SMILES CC1Cc2c(sc3ccccc23)C(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F
Show InChI InChI=1S/C25H24F3NO2S/c1-14-10-17-16-6-4-5-7-20(16)32-24(17)23(29(14)13-25(2,3)28)22-18(26)11-15(12-19(22)27)8-9-21(30)31/h4-9,11-12,14,23H,10,13H2,1-3H3,(H,30,31)/b9-8+
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n/an/a 1.25n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The compounds of the present invention have an inhibition effect on the binding of E (estrogen) to ER (estrogen receptor), thereby blocking the bindi...


US Patent US10087191 (2018)

More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens)
BDBM288607
PNG
((E)-3-(3,5-difluoro-4-((1S,3R/1R,3S)-2-(2-fluoro-2...)
Show SMILES CC1Cc2cc(ccc2C(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F)-c1cnc(C)s1
Show InChI InChI=1S/C27H27F3N2O2S/c1-15-9-19-12-18(23-13-31-16(2)35-23)6-7-20(19)26(32(15)14-27(3,4)30)25-21(28)10-17(11-22(25)29)5-8-24(33)34/h5-8,10-13,15,26H,9,14H2,1-4H3,(H,33,34)/b8-5+
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n/an/a 1.26n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The compounds of the present invention have an inhibition effect on the binding of E (estrogen) to ER (estrogen receptor), thereby blocking the bindi...


US Patent US10087191 (2018)

More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens)
BDBM288685
PNG
((E)-3-(4-((6S,8R/6R,8S)-7-cyclopentyl-8-methyl-6,7...)
Show SMILES CC1Cc2c(ccc3[nH]ncc23)C(N1C1CCCC1)c1c(F)cc(\C=C\C(O)=O)cc1F
Show InChI InChI=1S/C25H25F2N3O2/c1-14-10-18-17(7-8-22-19(18)13-28-29-22)25(30(14)16-4-2-3-5-16)24-20(26)11-15(12-21(24)27)6-9-23(31)32/h6-9,11-14,16,25H,2-5,10H2,1H3,(H,28,29)(H,31,32)/b9-6+
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n/an/a 1.32n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The compounds of the present invention have an inhibition effect on the binding of E (estrogen) to ER (estrogen receptor), thereby blocking the bindi...


US Patent US10087191 (2018)

More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens)
BDBM288612
PNG
((E)-3-(3,5-difluoro-4-((1S,3R/1R,3S)-7-fluoro-2-(2...)
Show SMILES CC1Cc2cc(-c3cnn(C)c3)c(F)cc2C(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F
Show InChI InChI=1S/C27H27F4N3O2/c1-15-7-17-10-19(18-12-32-33(4)13-18)21(28)11-20(17)26(34(15)14-27(2,3)31)25-22(29)8-16(9-23(25)30)5-6-24(35)36/h5-6,8-13,15,26H,7,14H2,1-4H3,(H,35,36)/b6-5+
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n/an/a 1.36n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The compounds of the present invention have an inhibition effect on the binding of E (estrogen) to ER (estrogen receptor), thereby blocking the bindi...


US Patent US10087191 (2018)

More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens)
BDBM288660
PNG
((E)-3-(4-((1R,3R/1S,3S)-6-(1-ethyl-1H-pyrazol-4-yl...)
Show SMILES CCn1cc(cn1)-c1ccc2oc3C(N(CC(C)(C)F)C(C)Cc3c2c1)c1c(F)cc(\C=C\C(O)=O)cc1F
Show InChI InChI=1S/C30H30F3N3O3/c1-5-35-15-20(14-34-35)19-7-8-25-21(13-19)22-10-17(2)36(16-30(3,4)33)28(29(22)39-25)27-23(31)11-18(12-24(27)32)6-9-26(37)38/h6-9,11-15,17,28H,5,10,16H2,1-4H3,(H,37,38)/b9-6+
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n/an/a 1.39n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The compounds of the present invention have an inhibition effect on the binding of E (estrogen) to ER (estrogen receptor), thereby blocking the bindi...


US Patent US10087191 (2018)

More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens)
BDBM288623
PNG
((E)-3-(3,5-difluoro-4-((1S,3R/1R,3S)-2-(2-fluoro-2...)
Show SMILES CNC(=O)COc1ccc2C(N(CC(C)(C)F)C(C)Cc2c1)c1c(F)cc(\C=C\C(O)=O)cc1F
Show InChI InChI=1S/C26H29F3N2O4/c1-15-9-17-12-18(35-13-22(32)30-4)6-7-19(17)25(31(15)14-26(2,3)29)24-20(27)10-16(11-21(24)28)5-8-23(33)34/h5-8,10-12,15,25H,9,13-14H2,1-4H3,(H,30,32)(H,33,34)/b8-5+
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n/an/a 1.45n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The compounds of the present invention have an inhibition effect on the binding of E (estrogen) to ER (estrogen receptor), thereby blocking the bindi...


US Patent US10087191 (2018)

More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens)
BDBM288635
PNG
((E)-3-(4-((1S,3R/1R,3S)-6-(1-ethyl-1H-pyrazol-4-yl...)
Show SMILES CCn1cc(cn1)-c1ccc2C(N(CC(C)(C)F)C(C)Cc2c1F)c1c(F)cc(\C=C\C(O)=O)cc1F
Show InChI InChI=1S/C28H29F4N3O2/c1-5-34-14-18(13-33-34)19-7-8-20-21(26(19)31)10-16(2)35(15-28(3,4)32)27(20)25-22(29)11-17(12-23(25)30)6-9-24(36)37/h6-9,11-14,16,27H,5,10,15H2,1-4H3,(H,36,37)/b9-6+
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n/an/a 1.5n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The compounds of the present invention have an inhibition effect on the binding of E (estrogen) to ER (estrogen receptor), thereby blocking the bindi...


US Patent US10087191 (2018)

More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens)
BDBM288614
PNG
((E)-3-(3,5-difluoro-4-((1S,3R/1R,3S)-2-(2-fluoro-2...)
Show SMILES CCCn1cc(cn1)-c1ccc2C(N(CC(C)(C)F)C(C)Cc2c1)c1c(F)cc(\C=C\C(O)=O)cc1F
Show InChI InChI=1S/C29H32F3N3O2/c1-5-10-34-16-22(15-33-34)20-7-8-23-21(14-20)11-18(2)35(17-29(3,4)32)28(23)27-24(30)12-19(13-25(27)31)6-9-26(36)37/h6-9,12-16,18,28H,5,10-11,17H2,1-4H3,(H,36,37)/b9-6+
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n/an/a 1.52n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The compounds of the present invention have an inhibition effect on the binding of E (estrogen) to ER (estrogen receptor), thereby blocking the bindi...


US Patent US10087191 (2018)

More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens)
BDBM288618
PNG
((E)-3-(3,5-difluoro-4-((1S,3R/1R,3S)-2-(2-fluoro-2...)
Show SMILES CC1Cc2cc(ccc2C(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F)-c1cnnc1
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n/an/a 1.59n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The compounds of the present invention have an inhibition effect on the binding of E (estrogen) to ER (estrogen receptor), thereby blocking the bindi...


US Patent US10087191 (2018)

More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens)
BDBM288649
PNG
((E)-3-(3,5-difluoro-4-((1S,3R/1R,3S)-2-(2-fluoro-2...)
Show SMILES CC1Cc2cc(ccc2C(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F)-c1ccc2ncccc2c1
Show InChI InChI=1S/C32H29F3N2O2/c1-19-13-24-17-21(22-8-10-28-23(16-22)5-4-12-36-28)7-9-25(24)31(37(19)18-32(2,3)35)30-26(33)14-20(15-27(30)34)6-11-29(38)39/h4-12,14-17,19,31H,13,18H2,1-3H3,(H,38,39)/b11-6+
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n/an/a 1.70n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The compounds of the present invention have an inhibition effect on the binding of E (estrogen) to ER (estrogen receptor), thereby blocking the bindi...


US Patent US10087191 (2018)

More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens)
BDBM288636
PNG
((E)-3-(3,5-difluoro-4-((1S,3R/1R,3S)-2-(2-fluoro-2...)
Show SMILES CC1Cc2cc(ccc2C(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F)-c1cnn(CCF)c1
Show InChI InChI=1S/C28H29F4N3O2/c1-17-10-20-13-19(21-14-33-34(15-21)9-8-29)5-6-22(20)27(35(17)16-28(2,3)32)26-23(30)11-18(12-24(26)31)4-7-25(36)37/h4-7,11-15,17,27H,8-10,16H2,1-3H3,(H,36,37)/b7-4+
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n/an/a 1.82n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The compounds of the present invention have an inhibition effect on the binding of E (estrogen) to ER (estrogen receptor), thereby blocking the bindi...


US Patent US10087191 (2018)

More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens)
BDBM288606
PNG
(US10087191, Example 8)
Show SMILES C[C@@H]1Cc2cc(ccc2[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F)C#Cc1cnn(C)c1
Show InChI InChI=1S/C29H28F3N3O2/c1-18-11-22-12-19(5-6-21-15-33-34(4)16-21)7-9-23(22)28(35(18)17-29(2,3)32)27-24(30)13-20(14-25(27)31)8-10-26(36)37/h7-10,12-16,18,28H,11,17H2,1-4H3,(H,36,37)/b10-8+/t18-,28+/m1/s1
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n/an/a 1.85n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The compounds of the present invention have an inhibition effect on the binding of E (estrogen) to ER (estrogen receptor), thereby blocking the bindi...


US Patent US10087191 (2018)

More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens)
BDBM288674
PNG
((E)-3-(3,5-difluoro-4-((5S,7R/5R,7S)-6-(2-fluoro-2...)
Show SMILES CC1Cc2cc3[nH]ncc3cc2C(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F
Show InChI InChI=1S/C24H24F3N3O2/c1-13-6-15-10-20-16(11-28-29-20)9-17(15)23(30(13)12-24(2,3)27)22-18(25)7-14(8-19(22)26)4-5-21(31)32/h4-5,7-11,13,23H,6,12H2,1-3H3,(H,28,29)(H,31,32)/b5-4+
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n/an/a 1.88n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The compounds of the present invention have an inhibition effect on the binding of E (estrogen) to ER (estrogen receptor), thereby blocking the bindi...


US Patent US10087191 (2018)

More data for this
Ligand-Target Pair
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