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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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n/an/an/an/a 0.300n/an/an/an/a



University of Pittsburgh Chemical Diversity Center (UP-CDC)

Curated by ChEMBL


Assay Description
Agonist activity at GPR30 (unknown origin) by calcium mobilization assay


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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n/an/an/an/a 0.300n/an/an/an/a



University of New Mexico Health Sciences Center

Curated by ChEMBL


Assay Description
Agonist activity at GFP-tagged GPR30 expressed in COS7 cells assessed as half life for increase in intracellular calcium level by spectrofluorimetry


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 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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n/an/an/an/a 2n/an/an/an/a



University of Pittsburgh Chemical Diversity Center (UP-CDC)

Curated by ChEMBL


Assay Description
Agonist activity at GPR30 (unknown origin) by calcium mobilization assay


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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n/an/an/an/a 2n/an/an/an/a



University of New Mexico Health Sciences Center

Curated by ChEMBL


Assay Description
Agonist activity at GFP-tagged GPR30 expressed in COS7 cells assessed as half life for increase in intracellular calcium level by spectrofluorimetry


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 estrogen receptor 1


(Rattus norvegicus)
BDBM50044849
PNG
(CHEMBL3311308)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C
Show InChI InChI=1S/C16H19NO3S/c1-11-9-12(2)16(13(3)10-11)17-21(18,19)15-7-5-14(20-4)6-8-15/h5-10,17H,1-4H3
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n/an/an/an/a<5.01E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity against rat GPR41 expressed in U2OS cells by BacMam FLIPR/summary (Abse5) assay


Bioorg Med Chem Lett 24: 3100-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.012
BindingDB Entry DOI: 10.7270/Q2CC1292
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 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 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 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 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 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)
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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n/an/a 11n/an/an/an/an/an/a



New Mexico State University

Curated by ChEMBL


Assay Description
Binding affinity to GPR30


J Med Chem 53: 1004-14 (2010)


Article DOI: 10.1021/jm9011802
BindingDB Entry DOI: 10.7270/Q2571C3V
More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens)
BDBM50303804
PNG
((3aS,4R,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl)-3...)
Show SMILES Brc1cc2OCOc2cc1[C@@H]1Nc2ccccc2[C@@H]2C=CC[C@H]12
Show InChI InChI=1S/C19H16BrNO2/c20-15-9-18-17(22-10-23-18)8-14(15)19-13-6-3-5-11(13)12-4-1-2-7-16(12)21-19/h1-5,7-9,11,13,19,21H,6,10H2/t11-,13-,19+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



New Mexico State University

Curated by ChEMBL


Assay Description
Binding affinity to GPR30


J Med Chem 53: 1004-14 (2010)


Article DOI: 10.1021/jm9011802
BindingDB Entry DOI: 10.7270/Q2571C3V
More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens)
BDBM50303804
PNG
((3aS,4R,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl)-3...)
Show SMILES Brc1cc2OCOc2cc1[C@@H]1Nc2ccccc2[C@@H]2C=CC[C@H]12
Show InChI InChI=1S/C19H16BrNO2/c20-15-9-18-17(22-10-23-18)8-14(15)19-13-6-3-5-11(13)12-4-1-2-7-16(12)21-19/h1-5,7-9,11,13,19,21H,6,10H2/t11-,13-,19+/m0/s1
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n/an/a 185n/an/an/an/an/an/a



University of New Mexico Health Sciences Center

Curated by ChEMBL


Assay Description
Antagonist activity at GPR30 in human SKBr3 cells assessed as inhibition of calcium mobilization


Nat Chem Biol 5: 421-7 (2009)


Article DOI: 10.1038/nchembio.168
BindingDB Entry DOI: 10.7270/Q2RB74TZ
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)
BDBM288600
PNG
((E)-3-(3,5-difluoro-4-((6S,8R/6R,8S)-7-(2-fluoro-2...)
Show SMILES COC(=O)\C=C\c1cc(F)c(C2N(CC(C)(C)F)C(C)Cc3cc4OCCOc4cc23)c(F)c1
Show InChI InChI=1S/C26H28F3NO4/c1-15-9-17-12-21-22(34-8-7-33-21)13-18(17)25(30(15)14-26(2,3)29)24-19(27)10-16(11-20(24)28)5-6-23(31)32-4/h5-6,10-13,15,25H,7-9,14H2,1-4H3/b6-5+
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n/an/a 3.20n/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)
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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n/an/a 0.730n/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)
BDBM288604
PNG
((E)-3-(3,5-difluoro-4-((1R,3R/1S,3S)-2-(2-fluoro-2...)
Show SMILES CC1Cc2sc3ccccc3c2C(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F
Show InChI InChI=1S/C25H24F3NO2S/c1-14-10-20-22(16-6-4-5-7-19(16)32-20)24(29(14)13-25(2,3)28)23-17(26)11-15(12-18(23)27)8-9-21(30)31/h4-9,11-12,14,24H,10,13H2,1-3H3,(H,30,31)/b9-8+
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n/an/a 4.90n/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)
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)
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)
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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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)
BDBM288609
PNG
((E)-3-(3,5-difluoro-4-((1R,3S)-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+/m0/s1
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n/an/a 56.5n/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)
BDBM288610
PNG
((E)-3-(4-((1S,3R/1R,3S)-(6-(1-(difluoromethyl)-1H-...)
Show SMILES CC1Cc2cc(ccc2C(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+
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n/an/a 2.11n/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)
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)
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)
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)
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)
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)
BDBM288617
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(CCO)c1
Show InChI InChI=1S/C28H30F3N3O3/c1-17-10-20-13-19(21-14-32-33(15-21)8-9-35)5-6-22(20)27(34(17)16-28(2,3)31)26-23(29)11-18(12-24(26)30)4-7-25(36)37/h4-7,11-15,17,27,35H,8-10,16H2,1-3H3,(H,36,37)/b7-4+
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n/an/a 27.3n/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)
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)
BDBM288620
PNG
((E)-3-(4-((1S,3R/1R,3S)-6-(6-aminopyridin-3-yl)-2-...)
Show SMILES CC1Cc2cc(ccc2C(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F)-c1ccc(N)nc1
Show InChI InChI=1S/C28H28F3N3O2/c1-16-10-20-13-18(19-6-8-24(32)33-14-19)5-7-21(20)27(34(16)15-28(2,3)31)26-22(29)11-17(12-23(26)30)4-9-25(35)36/h4-9,11-14,16,27H,10,15H2,1-3H3,(H2,32,33)(H,35,36)/b9-4+
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n/an/a 19.8n/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)
BDBM288621
PNG
((E)-3-(3,5-difluoro-4-((1S,3R/1R,3 S)-2-(2-fluoro-...)
Show SMILES CC1Cc2cc(ccc2C(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F)-c1cccnc1
Show InChI InChI=1S/C28H27F3N2O2/c1-17-11-21-14-19(20-5-4-10-32-15-20)7-8-22(21)27(33(17)16-28(2,3)31)26-23(29)12-18(13-24(26)30)6-9-25(34)35/h4-10,12-15,17,27H,11,16H2,1-3H3,(H,34,35)/b9-6+
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n/an/a 2.28n/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)
BDBM288622
PNG
((E)-3-(4-((1S,3R/1R,3S)-6-((tert-butoxycarbonyl)am...)
Show SMILES CC1Cc2cc(NC(=O)OC(C)(C)C)ccc2C(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F
Show InChI InChI=1S/C28H33F3N2O4/c1-16-11-18-14-19(32-26(36)37-27(2,3)4)8-9-20(18)25(33(16)15-28(5,6)31)24-21(29)12-17(13-22(24)30)7-10-23(34)35/h7-10,12-14,16,25H,11,15H2,1-6H3,(H,32,36)(H,34,35)/b10-7+
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n/an/a 84.1n/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)
BDBM288624
PNG
((E)-3-(4-((1S,3R/1R,3S)-6-(cyanomethoxy)-2-(2-fluo...)
Show SMILES CC1Cc2cc(OCC#N)ccc2C(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F
Show InChI InChI=1S/C25H25F3N2O3/c1-15-10-17-13-18(33-9-8-29)5-6-19(17)24(30(15)14-25(2,3)28)23-20(26)11-16(12-21(23)27)4-7-22(31)32/h4-7,11-13,15,24H,9-10,14H2,1-3H3,(H,31,32)/b7-4+
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n/an/a 37.7n/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)
BDBM288625
PNG
((E)-3-(4-((1S,3R/1R,3S)-6-cyclopropyl-2-(2-fluoro-...)
Show SMILES CC1Cc2cc(ccc2C(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F)C1CC1
Show InChI InChI=1S/C26H28F3NO2/c1-15-10-19-13-18(17-5-6-17)7-8-20(19)25(30(15)14-26(2,3)29)24-21(27)11-16(12-22(24)28)4-9-23(31)32/h4,7-9,11-13,15,17,25H,5-6,10,14H2,1-3H3,(H,31,32)/b9-4+
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n/an/a 18.4n/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)
BDBM288626
PNG
((E)-3-(3,5-difluoro-4-((1S,3R/1R,3S)-2-(2-fluoro-2...)
Show SMILES CC1Cc2cc(OC3CCOCC3)ccc2C(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F
Show InChI InChI=1S/C28H32F3NO4/c1-17-12-19-15-21(36-20-8-10-35-11-9-20)5-6-22(19)27(32(17)16-28(2,3)31)26-23(29)13-18(14-24(26)30)4-7-25(33)34/h4-7,13-15,17,20,27H,8-12,16H2,1-3H3,(H,33,34)/b7-4+
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n/an/a 24.9n/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)
BDBM288627
PNG
((E)-3-(3,5-difluoro-4-((1S,3R/1R,3S)-2-(2-fluoro-2...)
Show SMILES CC1Cc2cc(O[C@H]3CCOC3)ccc2C(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F
Show InChI InChI=1S/C27H30F3NO4/c1-16-10-18-13-19(35-20-8-9-34-14-20)5-6-21(18)26(31(16)15-27(2,3)30)25-22(28)11-17(12-23(25)29)4-7-24(32)33/h4-7,11-13,16,20,26H,8-10,14-15H2,1-3H3,(H,32,33)/b7-4+/t16?,20-,26?/m0/s1
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n/an/a 13.7n/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)
BDBM288628
PNG
((E)-3-(3,5-difluoro-4-((1S,3R/1R,3S)-2-(2-fluoro-2...)
Show SMILES CC1CN(CCO1)c1ccc2C(N(CC(C)(C)F)C(C)Cc2c1)c1c(F)cc(\C=C\C(O)=O)cc1F
Show InChI InChI=1S/C28H33F3N2O3/c1-17-11-20-14-21(32-9-10-36-18(2)15-32)6-7-22(20)27(33(17)16-28(3,4)31)26-23(29)12-19(13-24(26)30)5-8-25(34)35/h5-8,12-14,17-18,27H,9-11,15-16H2,1-4H3,(H,34,35)/b8-5+
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n/an/a 4.42n/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)
BDBM288629
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)N1CCN(C)C(=O)C1
Show InChI InChI=1S/C28H32F3N3O3/c1-17-11-19-14-20(33-10-9-32(4)24(35)15-33)6-7-21(19)27(34(17)16-28(2,3)31)26-22(29)12-18(13-23(26)30)5-8-25(36)37/h5-8,12-14,17,27H,9-11,15-16H2,1-4H3,(H,36,37)/b8-5+
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n/an/a 14.2n/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)
BDBM288630
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)N1CCOCC1
Show InChI InChI=1S/C27H31F3N2O3/c1-17-12-19-15-20(31-8-10-35-11-9-31)5-6-21(19)26(32(17)16-27(2,3)30)25-22(28)13-18(14-23(25)29)4-7-24(33)34/h4-7,13-15,17,26H,8-12,16H2,1-3H3,(H,33,34)/b7-4+
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n/an/a 1.94n/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)
BDBM288631
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)N1Cc2ccncc2C1
Show InChI InChI=1S/C30H30F3N3O2/c1-18-10-21-13-23(35-15-20-8-9-34-14-22(20)16-35)5-6-24(21)29(36(18)17-30(2,3)33)28-25(31)11-19(12-26(28)32)4-7-27(37)38/h4-9,11-14,18,29H,10,15-17H2,1-3H3,(H,37,38)/b7-4+
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n/an/a 8.10n/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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