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Patent code US10633388

Compile Data Set for Download or QSAR
Found 19 hits of Enzyme Inhibition Constant Data   
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
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM439612
PNG
(1-(4-(1-(2,6-difluorobenzyl)-5-((dimethylamino)met...)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1cn2n(Cc3c(F)cccc3F)c(=O)n(-c3cccc(OC)c3F)c(=O)c2c1CN(C)C
Show InChI InChI=1S/C31H29F3N6O4/c1-35-30(42)36-19-13-11-18(12-14-19)20-16-38-28(21(20)15-37(2)3)29(41)40(25-9-6-10-26(44-4)27(25)34)31(43)39(38)17-22-23(32)7-5-8-24(22)33/h5-14,16H,15,17H2,1-4H3,(H2,35,36,42)
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n/an/a 0.110n/an/an/an/an/an/a



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

US Patent


Assay Description
In vitro GnRHr protein activity was tested by the following methods.This assay was used to determine the inhibition effect of the present compound on...


US Patent US10633388 (2020)

More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rabbit)
BDBM405272
PNG
(1-(4-(7-(2,6-difluorobenzyl)-3-((dimethylamino)met...)
Show SMILES CNC(=O)Nc1ccc(cc1)-n1nc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccc(OC)nn3)c(=O)c2c1CN(C)C
Show InChI InChI=1S/C28H27F2N9O4/c1-31-27(41)32-16-8-10-17(11-9-16)39-21(15-36(2)3)24-25(35-39)37(14-18-19(29)6-5-7-20(18)30)28(42)38(26(24)40)22-12-13-23(43-4)34-33-22/h5-13H,14-15H2,1-4H3,(H2,31,32,41)
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US Patent
n/an/a 0.240n/an/an/an/an/an/a



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

US Patent


Assay Description
In vitro GnRHr protein activity was tested by the following methods.This assay was used to determine the inhibition effect of the present compound on...


US Patent US10633388 (2020)

More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone II receptor


(Green monkey)
BDBM405272
PNG
(1-(4-(7-(2,6-difluorobenzyl)-3-((dimethylamino)met...)
Show SMILES CNC(=O)Nc1ccc(cc1)-n1nc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccc(OC)nn3)c(=O)c2c1CN(C)C
Show InChI InChI=1S/C28H27F2N9O4/c1-31-27(41)32-16-8-10-17(11-9-16)39-21(15-36(2)3)24-25(35-39)37(14-18-19(29)6-5-7-20(18)30)28(42)38(26(24)40)22-12-13-23(43-4)34-33-22/h5-13H,14-15H2,1-4H3,(H2,31,32,41)
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n/an/a 0.240n/an/an/an/an/an/a



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

US Patent


Assay Description
In vitro GnRHr protein activity was tested by the following methods.This assay was used to determine the inhibition effect of the present compound on...


US Patent US10633388 (2020)

More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rabbit)
BDBM405271
PNG
(1-(4-(3-((dimethylamino)methyl)-5-(2-fluoro-3-meth...)
Show SMILES CNC(=O)Nc1ccc(cc1)-n1nc2n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(-c3cccc(OC)c3F)c(=O)c2c1CN(C)C
Show InChI InChI=1S/C31H28F5N7O4/c1-37-29(45)38-17-11-13-18(14-12-17)43-23(16-40(2)3)25-27(39-43)41(15-19-20(31(34,35)36)7-5-8-21(19)32)30(46)42(28(25)44)22-9-6-10-24(47-4)26(22)33/h5-14H,15-16H2,1-4H3,(H2,37,38,45)
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n/an/a 0.270n/an/an/an/an/an/a



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

US Patent


Assay Description
In vitro GnRHr protein activity was tested by the following methods.This assay was used to determine the inhibition effect of the present compound on...


US Patent US10633388 (2020)

More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM405272
PNG
(1-(4-(7-(2,6-difluorobenzyl)-3-((dimethylamino)met...)
Show SMILES CNC(=O)Nc1ccc(cc1)-n1nc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccc(OC)nn3)c(=O)c2c1CN(C)C
Show InChI InChI=1S/C28H27F2N9O4/c1-31-27(41)32-16-8-10-17(11-9-16)39-21(15-36(2)3)24-25(35-39)37(14-18-19(29)6-5-7-20(18)30)28(42)38(26(24)40)22-12-13-23(43-4)34-33-22/h5-13H,14-15H2,1-4H3,(H2,31,32,41)
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n/an/a 0.420n/an/an/an/an/an/a



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

US Patent


Assay Description
In vitro GnRHr protein activity was tested by the following methods.This assay was used to determine the inhibition effect of the present compound on...


US Patent US10633388 (2020)

More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM405278
PNG
(1-(4-(1-(2,6-difluorobenzyl)-5-((dimethylamino)met...)
Show SMILES CONC(=O)Nc1ccc(cc1)-c1cn2n(Cc3c(F)cccc3F)c(=O)n(-c3cccc(OC)c3F)c(=O)c2c1CN(C)C
Show InChI InChI=1S/C31H29F3N6O5/c1-37(2)15-21-20(18-11-13-19(14-12-18)35-30(42)36-45-4)16-38-28(21)29(41)40(25-9-6-10-26(44-3)27(25)34)31(43)39(38)17-22-23(32)7-5-8-24(22)33/h5-14,16H,15,17H2,1-4H3,(H2,35,36,42)
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n/an/a 0.430n/an/an/an/an/an/a



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

US Patent


Assay Description
In vitro GnRHr protein activity was tested by the following methods.This assay was used to determine the inhibition effect of the present compound on...


US Patent US10633388 (2020)

More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM405270
PNG
(1-(4-(3-((dimethylamino)methyl)-5-(2-fluoro-3-meth...)
Show SMILES CONC(=O)Nc1ccc(cc1)-n1nc2n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(-c3cccc(OC)c3F)c(=O)c2c1CN(C)C
Show InChI InChI=1S/C31H28F5N7O5/c1-40(2)16-23-25-27(38-43(23)18-13-11-17(12-14-18)37-29(45)39-48-4)41(15-19-20(31(34,35)36)7-5-8-21(19)32)30(46)42(28(25)44)22-9-6-10-24(47-3)26(22)33/h5-14H,15-16H2,1-4H3,(H2,37,39,45)
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n/an/a 0.490n/an/an/an/an/an/a



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

US Patent


Assay Description
In vitro GnRHr protein activity was tested by the following methods.This assay was used to determine the inhibition effect of the present compound on...


US Patent US10633388 (2020)

More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone II receptor


(Green monkey)
BDBM405274
PNG
(1-(4-(7-(2,6-difluorobenzyl)-3-((dimethylamino)met...)
Show SMILES CONC(=O)Nc1ccc(cc1)-n1nc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccc(OC)nn3)c(=O)c2c1CN(C)C
Show InChI InChI=1S/C28H27F2N9O5/c1-36(2)15-21-24-25(34-39(21)17-10-8-16(9-11-17)31-27(41)35-44-4)37(14-18-19(29)6-5-7-20(18)30)28(42)38(26(24)40)22-12-13-23(43-3)33-32-22/h5-13H,14-15H2,1-4H3,(H2,31,35,41)
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n/an/a 0.570n/an/an/an/an/an/a



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

US Patent


Assay Description
In vitro GnRHr protein activity was tested by the following methods.This assay was used to determine the inhibition effect of the present compound on...


US Patent US10633388 (2020)

More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rabbit)
BDBM405274
PNG
(1-(4-(7-(2,6-difluorobenzyl)-3-((dimethylamino)met...)
Show SMILES CONC(=O)Nc1ccc(cc1)-n1nc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccc(OC)nn3)c(=O)c2c1CN(C)C
Show InChI InChI=1S/C28H27F2N9O5/c1-36(2)15-21-24-25(34-39(21)17-10-8-16(9-11-17)31-27(41)35-44-4)37(14-18-19(29)6-5-7-20(18)30)28(42)38(26(24)40)22-12-13-23(43-3)33-32-22/h5-13H,14-15H2,1-4H3,(H2,31,35,41)
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US Patent
n/an/a 0.570n/an/an/an/an/an/a



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

US Patent


Assay Description
In vitro GnRHr protein activity was tested by the following methods.This assay was used to determine the inhibition effect of the present compound on...


US Patent US10633388 (2020)

More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM405271
PNG
(1-(4-(3-((dimethylamino)methyl)-5-(2-fluoro-3-meth...)
Show SMILES CNC(=O)Nc1ccc(cc1)-n1nc2n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(-c3cccc(OC)c3F)c(=O)c2c1CN(C)C
Show InChI InChI=1S/C31H28F5N7O4/c1-37-29(45)38-17-11-13-18(14-12-17)43-23(16-40(2)3)25-27(39-43)41(15-19-20(31(34,35)36)7-5-8-21(19)32)30(46)42(28(25)44)22-9-6-10-24(47-4)26(22)33/h5-14H,15-16H2,1-4H3,(H2,37,38,45)
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n/an/a 0.600n/an/an/an/an/an/a



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

US Patent


Assay Description
In vitro GnRHr protein activity was tested by the following methods.This assay was used to determine the inhibition effect of the present compound on...


US Patent US10633388 (2020)

More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM405273
PNG
(1-(4-(7-(2,6-difluorobenzyl)-3-((dimethylamino)met...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-n1nc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccc(OC)nn3)c(=O)c2c1CN(C)C
Show InChI InChI=1S/C29H29F2N9O4/c1-5-32-28(42)33-17-9-11-18(12-10-17)40-22(16-37(2)3)25-26(36-40)38(15-19-20(30)7-6-8-21(19)31)29(43)39(27(25)41)23-13-14-24(44-4)35-34-23/h6-14H,5,15-16H2,1-4H3,(H2,32,33,42)
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n/an/a 0.660n/an/an/an/an/an/a



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

US Patent


Assay Description
In vitro GnRHr protein activity was tested by the following methods.This assay was used to determine the inhibition effect of the present compound on...


US Patent US10633388 (2020)

More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM405268
PNG
(1-(4-(7-(2,6-difluorobenzyl)-3-((dimethylamino)met...)
Show SMILES CNC(=O)Nc1ccc(cc1)-n1nc2n(Cc3c(F)cccc3F)c(=O)n(-c3cccc(OC)c3F)c(=O)c2c1CN(C)C
Show InChI InChI=1S/C30H28F3N7O4/c1-34-29(42)35-17-11-13-18(14-12-17)40-23(16-37(2)3)25-27(36-40)38(15-19-20(31)7-5-8-21(19)32)30(43)39(28(25)41)22-9-6-10-24(44-4)26(22)33/h5-14H,15-16H2,1-4H3,(H2,34,35,42)
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n/an/a 0.660n/an/an/an/an/an/a



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

US Patent


Assay Description
In vitro GnRHr protein activity was tested by the following methods.This assay was used to determine the inhibition effect of the present compound on...


US Patent US10633388 (2020)

More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM405267
PNG
(1-(4-(7-(2,6-difluorobenzyl)-3-((dimethylamino)met...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-n1nc2n(Cc3c(F)cccc3F)c(=O)n(-c3cccc(OC)c3F)c(=O)c2c1CN(C)C
Show InChI InChI=1S/C31H30F3N7O4/c1-5-35-30(43)36-18-12-14-19(15-13-18)41-24(17-38(2)3)26-28(37-41)39(16-20-21(32)8-6-9-22(20)33)31(44)40(29(26)42)23-10-7-11-25(45-4)27(23)34/h6-15H,5,16-17H2,1-4H3,(H2,35,36,43)
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n/an/a 0.900n/an/an/an/an/an/a



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

US Patent


Assay Description
In vitro GnRHr protein activity was tested by the following methods.This assay was used to determine the inhibition effect of the present compound on...


US Patent US10633388 (2020)

More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM405276
PNG
(1-(4-(1-(2,6-difluorobenzyl)-5-((dimethylamino)met...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1cn2n(Cc3c(F)cccc3F)c(=O)n(-c3cccc(OC)c3F)c(=O)c2c1CN(C)C
Show InChI InChI=1S/C32H31F3N6O4/c1-5-36-31(43)37-20-14-12-19(13-15-20)21-17-39-29(22(21)16-38(2)3)30(42)41(26-10-7-11-27(45-4)28(26)35)32(44)40(39)18-23-24(33)8-6-9-25(23)34/h6-15,17H,5,16,18H2,1-4H3,(H2,36,37,43)
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n/an/a 0.920n/an/an/an/an/an/a



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

US Patent


Assay Description
In vitro GnRHr protein activity was tested by the following methods.This assay was used to determine the inhibition effect of the present compound on...


US Patent US10633388 (2020)

More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM405269
PNG
(1-(4-(3-((dimethylamino)methyl)-5-(2-fluoro-3-meth...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-n1nc2n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(-c3cccc(OC)c3F)c(=O)c2c1CN(C)C
Show InChI InChI=1S/C32H30F5N7O4/c1-5-38-30(46)39-18-12-14-19(15-13-18)44-24(17-41(2)3)26-28(40-44)42(16-20-21(32(35,36)37)8-6-9-22(20)33)31(47)43(29(26)45)23-10-7-11-25(48-4)27(23)34/h6-15H,5,16-17H2,1-4H3,(H2,38,39,46)
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n/an/a 0.960n/an/an/an/an/an/a



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

US Patent


Assay Description
In vitro GnRHr protein activity was tested by the following methods.This assay was used to determine the inhibition effect of the present compound on...


US Patent US10633388 (2020)

More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM405266
PNG
(1-(4-(7-(2,6-difluorobenzyl)-3-((dimethylamino)met...)
Show SMILES CONC(=O)Nc1ccc(cc1)-n1nc2n(Cc3c(F)cccc3F)c(=O)n(-c3cccc(OC)c3F)c(=O)c2c1CN(C)C
Show InChI InChI=1S/C30H28F3N7O5/c1-37(2)16-23-25-27(35-40(23)18-13-11-17(12-14-18)34-29(42)36-45-4)38(15-19-20(31)7-5-8-21(19)32)30(43)39(28(25)41)22-9-6-10-24(44-3)26(22)33/h5-14H,15-16H2,1-4H3,(H2,34,36,42)
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n/an/a 1.46n/an/an/an/an/an/a



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

US Patent


Assay Description
In vitro GnRHr protein activity was tested by the following methods.This assay was used to determine the inhibition effect of the present compound on...


US Patent US10633388 (2020)

More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM405275
PNG
(1-(4-(3-((dimethylamino)methyl)-7-(2-fluoro-6-(tri...)
Show SMILES CNC(=O)Nc1ccc(cc1)-n1nc2n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(-c3ccc(OC)nn3)c(=O)c2c1CN(C)C
Show InChI InChI=1S/C29H27F4N9O4/c1-34-27(44)35-16-8-10-17(11-9-16)42-21(15-39(2)3)24-25(38-42)40(14-18-19(29(31,32)33)6-5-7-20(18)30)28(45)41(26(24)43)22-12-13-23(46-4)37-36-22/h5-13H,14-15H2,1-4H3,(H2,34,35,44)
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n/an/a 2.24n/an/an/an/an/an/a



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

US Patent


Assay Description
In vitro GnRHr protein activity was tested by the following methods.This assay was used to determine the inhibition effect of the present compound on...


US Patent US10633388 (2020)

More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM405279
PNG
(1-(4-(1-(2,6-difluorobenzyl)-5-((dimethylamino)met...)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1cn2n(Cc3c(F)cccc3F)c(=O)n(-c3ccc(OC)nn3)c(=O)c2c1CN(C)C
Show InChI InChI=1S/C29H28F2N8O4/c1-32-28(41)33-18-10-8-17(9-11-18)19-15-37-26(20(19)14-36(2)3)27(40)39(24-12-13-25(43-4)35-34-24)29(42)38(37)16-21-22(30)6-5-7-23(21)31/h5-13,15H,14,16H2,1-4H3,(H2,32,33,41)
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n/an/a 2.32n/an/an/an/an/an/a



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

US Patent


Assay Description
In vitro GnRHr protein activity was tested by the following methods.This assay was used to determine the inhibition effect of the present compound on...


US Patent US10633388 (2020)

More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM405274
PNG
(1-(4-(7-(2,6-difluorobenzyl)-3-((dimethylamino)met...)
Show SMILES CONC(=O)Nc1ccc(cc1)-n1nc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccc(OC)nn3)c(=O)c2c1CN(C)C
Show InChI InChI=1S/C28H27F2N9O5/c1-36(2)15-21-24-25(34-39(21)17-10-8-16(9-11-17)31-27(41)35-44-4)37(14-18-19(29)6-5-7-20(18)30)28(42)38(26(24)40)22-12-13-23(43-3)33-32-22/h5-13H,14-15H2,1-4H3,(H2,31,35,41)
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 4.95n/an/an/an/an/an/a



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

US Patent


Assay Description
In vitro GnRHr protein activity was tested by the following methods.This assay was used to determine the inhibition effect of the present compound on...


US Patent US10633388 (2020)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%