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Compile Data Set for Download or QSAR

Found 1559 hits of ic50 data for polymerid = 7224,9862   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50122654
PNG
(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Show SMILES CONC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C36H31F2N5O4S/c1-41(20-23-10-5-3-6-11-23)21-28-31-33(44)43(26-12-7-4-8-13-26)36(46)42(22-27-29(37)14-9-15-30(27)38)34(31)48-32(28)24-16-18-25(19-17-24)39-35(45)40-47-2/h3-19H,20-22H2,1-2H3,(H2,39,40,45)
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Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Tested for inhibition of arachidonic acid(AA) release from CHO cells in Human


J Med Chem 46: 113-24 (2002)


Article DOI: 10.1021/jm020180i
BindingDB Entry DOI: 10.7270/Q26W9BTR
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50122654
PNG
(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Show SMILES CONC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C36H31F2N5O4S/c1-41(20-23-10-5-3-6-11-23)21-28-31-33(44)43(26-12-7-4-8-13-26)36(46)42(22-27-29(37)14-9-15-30(27)38)34(31)48-32(28)24-16-18-25(19-17-24)39-35(45)40-47-2/h3-19H,20-22H2,1-2H3,(H2,39,40,45)
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human GnRH receptor expressed in CHO cells assessed as inhibition of GnRH-induced arachadonic acid release using [5,6,8,9,11,1...


J Med Chem 54: 4998-5012 (2011)


Article DOI: 10.1021/jm200216q
BindingDB Entry DOI: 10.7270/Q22N52MK
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50189733
PNG
(CHEMBL379629 | ethyl 3-(N-benzyl-N-methylaminometh...)
Show SMILES CCOC(=O)c1cn(Cc2c(F)cccc2F)c2sc(c(CN(C)Cc3ccccc3)c2c1=O)-c1ccc(NC(=O)NC)cc1
Show InChI InChI=1S/C34H32F2N4O4S/c1-4-44-33(42)26-20-40(19-24-27(35)11-8-12-28(24)36)32-29(30(26)41)25(18-39(3)17-21-9-6-5-7-10-21)31(45-32)22-13-15-23(16-14-22)38-34(43)37-2/h5-16,20H,4,17-19H2,1-3H3,(H2,37,38,43)
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [125I]leuprorelin binding to human recombinant LHRH receptor expressed in CHO cells


J Med Chem 49: 3809-25 (2006)


Article DOI: 10.1021/jm0512894
BindingDB Entry DOI: 10.7270/Q2VQ33G8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50122652
PNG
(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C37H33F2N5O3S/c1-3-40-36(46)41-26-19-17-25(18-20-26)33-29(22-42(2)21-24-11-6-4-7-12-24)32-34(45)44(27-13-8-5-9-14-27)37(47)43(35(32)48-33)23-28-30(38)15-10-16-31(28)39/h4-20H,3,21-23H2,1-2H3,(H2,40,41,46)
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Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Tested for inhibition of arachidonic acid(AA) release from CHO cells in Human


J Med Chem 46: 113-24 (2002)


Article DOI: 10.1021/jm020180i
BindingDB Entry DOI: 10.7270/Q26W9BTR
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50189704
PNG
(3-(N-benzyl-N-methylaminomethyl)-7-(2,6-difluorobe...)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)cc(C(=O)C(C)C)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C35H34F2N4O3S/c1-21(2)31(42)27-20-41(19-25-28(36)11-8-12-29(25)37)34-30(32(27)43)26(18-40(4)17-22-9-6-5-7-10-22)33(45-34)23-13-15-24(16-14-23)39-35(44)38-3/h5-16,20-21H,17-19H2,1-4H3,(H2,38,39,44)
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of LHRH-stimulated arachidonic acid release in CHO cells expressing human LHRH receptor


J Med Chem 49: 3809-25 (2006)


Article DOI: 10.1021/jm0512894
BindingDB Entry DOI: 10.7270/Q2VQ33G8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50189716
PNG
(CHEMBL210294 | ethyl 3-(N-benzyl-N-methylaminometh...)
Show SMILES CCOC(=O)c1cn(Cc2ccccc2F)c2sc(c(CN(C)Cc3ccccc3)c2c1=O)-c1ccc(NC(=O)NC)cc1
Show InChI InChI=1S/C34H33FN4O4S/c1-4-43-33(41)27-21-39(19-24-12-8-9-13-28(24)35)32-29(30(27)40)26(20-38(3)18-22-10-6-5-7-11-22)31(44-32)23-14-16-25(17-15-23)37-34(42)36-2/h5-17,21H,4,18-20H2,1-3H3,(H2,36,37,42)
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [125I]leuprorelin binding to human recombinant LHRH receptor expressed in CHO cells


J Med Chem 49: 3809-25 (2006)


Article DOI: 10.1021/jm0512894
BindingDB Entry DOI: 10.7270/Q2VQ33G8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50347996
PNG
(CHEMBL1800663)
Show SMILES CONC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)CCc1ccccn1
Show InChI InChI=1S/C36H32F2N6O4S/c1-42(20-18-24-9-6-7-19-39-24)21-28-31-33(45)44(26-10-4-3-5-11-26)36(47)43(22-27-29(37)12-8-13-30(27)38)34(31)49-32(28)23-14-16-25(17-15-23)40-35(46)41-48-2/h3-17,19H,18,20-22H2,1-2H3,(H2,40,41,46)
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]leuprorelin from recombinant human GnRH receptor expressed in CHO cells after 60 mins by X-ray counter


J Med Chem 54: 4998-5012 (2011)


Article DOI: 10.1021/jm200216q
BindingDB Entry DOI: 10.7270/Q22N52MK
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50347996
PNG
(CHEMBL1800663)
Show SMILES CONC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)CCc1ccccn1
Show InChI InChI=1S/C36H32F2N6O4S/c1-42(20-18-24-9-6-7-19-39-24)21-28-31-33(45)44(26-10-4-3-5-11-26)36(47)43(22-27-29(37)12-8-13-30(27)38)34(31)49-32(28)23-14-16-25(17-15-23)40-35(46)41-48-2/h3-17,19H,18,20-22H2,1-2H3,(H2,40,41,46)
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human GnRH receptor expressed in CHO cells assessed as inhibition of GnRH-induced arachadonic acid release using [5,6,8,9,11,1...


J Med Chem 54: 4998-5012 (2011)


Article DOI: 10.1021/jm200216q
BindingDB Entry DOI: 10.7270/Q22N52MK
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50347986
PNG
(CHEMBL1800155)
Show SMILES COCCN(C)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccc(OC)cc3)c(=O)c12)-c1ccc(NC(=O)NOC)cc1
Show InChI InChI=1S/C33H33F2N5O6S/c1-38(16-17-44-2)18-25-28-30(41)40(22-12-14-23(45-3)15-13-22)33(43)39(19-24-26(34)6-5-7-27(24)35)31(28)47-29(25)20-8-10-21(11-9-20)36-32(42)37-46-4/h5-15H,16-19H2,1-4H3,(H2,36,37,42)
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]leuprorelin from recombinant human GnRH receptor expressed in CHO cells after 60 mins by X-ray counter


J Med Chem 54: 4998-5012 (2011)


Article DOI: 10.1021/jm200216q
BindingDB Entry DOI: 10.7270/Q22N52MK
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50347985
PNG
(CHEMBL1800156)
Show SMILES COCCN(C)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccc(OC)nc3)c(=O)c12)-c1ccc(NC(=O)NOC)cc1
Show InChI InChI=1S/C32H32F2N6O6S/c1-38(14-15-44-2)17-23-27-29(41)40(21-12-13-26(45-3)35-16-21)32(43)39(18-22-24(33)6-5-7-25(22)34)30(27)47-28(23)19-8-10-20(11-9-19)36-31(42)37-46-4/h5-13,16H,14-15,17-18H2,1-4H3,(H2,36,37,42)
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human GnRH receptor expressed in CHO cells assessed as inhibition of GnRH-induced arachadonic acid release using [5,6,8,9,11,1...


J Med Chem 54: 4998-5012 (2011)


Article DOI: 10.1021/jm200216q
BindingDB Entry DOI: 10.7270/Q22N52MK
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50347989
PNG
(CHEMBL1800668)
Show SMILES COCCN(C)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(=O)NOC)cc1
Show InChI InChI=1S/C32H31F2N5O5S/c1-37(16-17-43-2)18-24-27-29(40)39(22-8-5-4-6-9-22)32(42)38(19-23-25(33)10-7-11-26(23)34)30(27)45-28(24)20-12-14-21(15-13-20)35-31(41)36-44-3/h4-15H,16-19H2,1-3H3,(H2,35,36,41)
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human GnRH receptor expressed in CHO cells assessed as inhibition of GnRH-induced arachadonic acid release using [5,6,8,9,11,1...


J Med Chem 54: 4998-5012 (2011)


Article DOI: 10.1021/jm200216q
BindingDB Entry DOI: 10.7270/Q22N52MK
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50347984
PNG
(CHEMBL1800157)
Show SMILES COCCN(C)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccc(OC)nn3)c(=O)c12)-c1ccc(NC(=O)NOC)cc1
Show InChI InChI=1S/C31H31F2N7O6S/c1-38(14-15-44-2)16-21-26-28(41)40(24-12-13-25(45-3)36-35-24)31(43)39(17-20-22(32)6-5-7-23(20)33)29(26)47-27(21)18-8-10-19(11-9-18)34-30(42)37-46-4/h5-13H,14-17H2,1-4H3,(H2,34,37,42)
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]leuprorelin from recombinant human GnRH receptor expressed in CHO cells after 60 mins by X-ray counter


J Med Chem 54: 4998-5012 (2011)


Article DOI: 10.1021/jm200216q
BindingDB Entry DOI: 10.7270/Q22N52MK
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50347982
PNG
(CHEMBL1800159)
Show SMILES CONC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccc(OC)nn3)c(=O)c2c1CN(C)C
Show InChI InChI=1S/C29H27F2N7O5S/c1-36(2)14-19-24-26(39)38(22-12-13-23(42-3)34-33-22)29(41)37(15-18-20(30)6-5-7-21(18)31)27(24)44-25(19)16-8-10-17(11-9-16)32-28(40)35-43-4/h5-13H,14-15H2,1-4H3,(H2,32,35,40)
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]leuprorelin from recombinant human GnRH receptor expressed in CHO cells after 60 mins by X-ray counter


J Med Chem 54: 4998-5012 (2011)


Article DOI: 10.1021/jm200216q
BindingDB Entry DOI: 10.7270/Q22N52MK
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50347997
PNG
(CHEMBL1800661)
Show SMILES CONC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccn1
Show InChI InChI=1S/C35H30F2N6O4S/c1-41(19-24-9-6-7-18-38-24)20-27-30-32(44)43(25-10-4-3-5-11-25)35(46)42(21-26-28(36)12-8-13-29(26)37)33(30)48-31(27)22-14-16-23(17-15-22)39-34(45)40-47-2/h3-18H,19-21H2,1-2H3,(H2,39,40,45)
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human GnRH receptor expressed in CHO cells assessed as inhibition of GnRH-induced arachadonic acid release using [5,6,8,9,11,1...


J Med Chem 54: 4998-5012 (2011)


Article DOI: 10.1021/jm200216q
BindingDB Entry DOI: 10.7270/Q22N52MK
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50347997
PNG
(CHEMBL1800661)
Show SMILES CONC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccn1
Show InChI InChI=1S/C35H30F2N6O4S/c1-41(19-24-9-6-7-18-38-24)20-27-30-32(44)43(25-10-4-3-5-11-25)35(46)42(21-26-28(36)12-8-13-29(26)37)33(30)48-31(27)22-14-16-23(17-15-22)39-34(45)40-47-2/h3-18H,19-21H2,1-2H3,(H2,39,40,45)
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]leuprorelin from recombinant human GnRH receptor expressed in CHO cells after 60 mins by X-ray counter


J Med Chem 54: 4998-5012 (2011)


Article DOI: 10.1021/jm200216q
BindingDB Entry DOI: 10.7270/Q22N52MK
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50347994
PNG
(CHEMBL1800666)
Show SMILES CONC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)CCN1CCCC1=O
Show InChI InChI=1S/C35H34F2N6O5S/c1-40(18-19-41-17-7-12-29(41)44)20-26-30-32(45)43(24-8-4-3-5-9-24)35(47)42(21-25-27(36)10-6-11-28(25)37)33(30)49-31(26)22-13-15-23(16-14-22)38-34(46)39-48-2/h3-6,8-11,13-16H,7,12,17-21H2,1-2H3,(H2,38,39,46)
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]leuprorelin from recombinant human GnRH receptor expressed in CHO cells after 60 mins by X-ray counter


J Med Chem 54: 4998-5012 (2011)


Article DOI: 10.1021/jm200216q
BindingDB Entry DOI: 10.7270/Q22N52MK
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50122654
PNG
(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Show SMILES CONC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C36H31F2N5O4S/c1-41(20-23-10-5-3-6-11-23)21-28-31-33(44)43(26-12-7-4-8-13-26)36(46)42(22-27-29(37)14-9-15-30(27)38)34(31)48-32(28)24-16-18-25(19-17-24)39-35(45)40-47-2/h3-19H,20-22H2,1-2H3,(H2,39,40,45)
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Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Antagonist concentration required to inhibit specific binding of [125I]leuprorelin to human luteinizing releasing hormone receptor in cloned chinese ...


J Med Chem 46: 113-24 (2002)


Article DOI: 10.1021/jm020180i
BindingDB Entry DOI: 10.7270/Q26W9BTR
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM230879
PNG
(US9346822, 41)
Show SMILES CCOCCN(C)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccn3)c(=O)c12)-c1ccc(NC(=O)NOC)cc1
Show InChI InChI=1S/C32H32F2N6O5S/c1-4-45-17-16-38(2)18-23-27-29(41)40(26-10-5-6-15-35-26)32(43)39(19-22-24(33)8-7-9-25(22)34)30(27)46-28(23)20-11-13-21(14-12-20)36-31(42)37-44-3/h5-15H,4,16-19H2,1-3H3,(H2,36,37,42)
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n/an/a 0.100n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The monkey and human membrane fractions prepared were diluted with the assay buffer to yield a 200 g/ml dilution, each of which was then dispensed at...


US Patent US9346822 (2016)


BindingDB Entry DOI: 10.7270/Q2251H2F
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50189703
PNG
(CHEMBL208812 | N-(4-(7-(2,6-difluorobenzyl)-5-benz...)
Show SMILES CC(C)C(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)cc(C(=O)c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C40H35F2N3O3S/c1-25(2)39(48)43-29-19-17-28(18-20-29)38-31(22-44(3)21-26-11-6-4-7-12-26)35-37(47)32(36(46)27-13-8-5-9-14-27)24-45(40(35)49-38)23-30-33(41)15-10-16-34(30)42/h4-20,24-25H,21-23H2,1-3H3,(H,43,48)
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [125I]leuprorelin binding to human recombinant LHRH receptor expressed in CHO cells


J Med Chem 49: 3809-25 (2006)


Article DOI: 10.1021/jm0512894
BindingDB Entry DOI: 10.7270/Q2VQ33G8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50189701
PNG
(3-(N-benzyl-N-methylaminomethyl)-7-(2,6-difluorobe...)
Show SMILES CCC(O)C(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)cc(C(=O)C(C)C)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C37H37F2N3O4S/c1-5-31(43)36(46)40-25-16-14-24(15-17-25)35-27(19-41(4)18-23-10-7-6-8-11-23)32-34(45)28(33(44)22(2)3)21-42(37(32)47-35)20-26-29(38)12-9-13-30(26)39/h6-17,21-22,31,43H,5,18-20H2,1-4H3,(H,40,46)
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of LHRH-stimulated arachidonic acid release in CHO cells expressing human LHRH receptor


J Med Chem 49: 3809-25 (2006)


Article DOI: 10.1021/jm0512894
BindingDB Entry DOI: 10.7270/Q2VQ33G8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50189704
PNG
(3-(N-benzyl-N-methylaminomethyl)-7-(2,6-difluorobe...)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)cc(C(=O)C(C)C)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C35H34F2N4O3S/c1-21(2)31(42)27-20-41(19-25-28(36)11-8-12-29(25)37)34-30(32(27)43)26(18-40(4)17-22-9-6-5-7-10-22)33(45-34)23-13-15-24(16-14-23)39-35(44)38-3/h5-16,20-21H,17-19H2,1-4H3,(H2,38,39,44)
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [125I]leuprorelin binding to human recombinant LHRH receptor expressed in CHO cells


J Med Chem 49: 3809-25 (2006)


Article DOI: 10.1021/jm0512894
BindingDB Entry DOI: 10.7270/Q2VQ33G8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50189730
PNG
(CHEMBL210709 | ethyl 3-(N-benzyl-N-methylaminometh...)
Show SMILES CCOC(=O)c1cn(Cc2c(F)cccc2F)c2sc(c(CN(C)Cc3ccccc3)c2c1=O)-c1ccc(NC(=O)CC)cc1
Show InChI InChI=1S/C35H33F2N3O4S/c1-4-30(41)38-24-16-14-23(15-17-24)33-26(19-39(3)18-22-10-7-6-8-11-22)31-32(42)27(35(43)44-5-2)21-40(34(31)45-33)20-25-28(36)12-9-13-29(25)37/h6-17,21H,4-5,18-20H2,1-3H3,(H,38,41)
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [125I]leuprorelin binding to human recombinant LHRH receptor expressed in CHO cells


J Med Chem 49: 3809-25 (2006)


Article DOI: 10.1021/jm0512894
BindingDB Entry DOI: 10.7270/Q2VQ33G8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50189701
PNG
(3-(N-benzyl-N-methylaminomethyl)-7-(2,6-difluorobe...)
Show SMILES CCC(O)C(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)cc(C(=O)C(C)C)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C37H37F2N3O4S/c1-5-31(43)36(46)40-25-16-14-24(15-17-25)35-27(19-41(4)18-23-10-7-6-8-11-23)32-34(45)28(33(44)22(2)3)21-42(37(32)47-35)20-26-29(38)12-9-13-30(26)39/h6-17,21-22,31,43H,5,18-20H2,1-4H3,(H,40,46)
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [125I]leuprorelin binding to human recombinant LHRH receptor expressed in CHO cells


J Med Chem 49: 3809-25 (2006)


Article DOI: 10.1021/jm0512894
BindingDB Entry DOI: 10.7270/Q2VQ33G8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50409694
PNG
(CHEMBL2092994)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C36H31F2N5O3S/c1-39-35(45)40-25-18-16-24(17-19-25)32-28(21-41(2)20-23-10-5-3-6-11-23)31-33(44)43(26-12-7-4-8-13-26)36(46)42(34(31)47-32)22-27-29(37)14-9-15-30(27)38/h3-19H,20-22H2,1-2H3,(H2,39,40,45)
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Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Antagonist concentration required to inhibit specific binding of [125I]leuprorelin to human luteinizing releasing hormone receptor in cloned chinese ...


J Med Chem 46: 113-24 (2002)


Article DOI: 10.1021/jm020180i
BindingDB Entry DOI: 10.7270/Q26W9BTR
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50122654
PNG
(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Show SMILES CONC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C36H31F2N5O4S/c1-41(20-23-10-5-3-6-11-23)21-28-31-33(44)43(26-12-7-4-8-13-26)36(46)42(22-27-29(37)14-9-15-30(27)38)34(31)48-32(28)24-16-18-25(19-17-24)39-35(45)40-47-2/h3-19H,20-22H2,1-2H3,(H2,39,40,45)
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Neurocrine Biosciences, Inc

Curated by ChEMBL


Assay Description
Binding affinity at human GnRH receptor


J Med Chem 51: 3331-48 (2008)


Article DOI: 10.1021/jm701249f
BindingDB Entry DOI: 10.7270/Q2KD1XQ0
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50347987
PNG
(CHEMBL1800153)
Show SMILES COCCN(C)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccc(C)cn3)c(=O)c12)-c1ccc(NC(=O)NOC)cc1
Show InChI InChI=1S/C32H32F2N6O5S/c1-19-8-13-26(35-16-19)40-29(41)27-23(17-38(2)14-15-44-3)28(20-9-11-21(12-10-20)36-31(42)37-45-4)46-30(27)39(32(40)43)18-22-24(33)6-5-7-25(22)34/h5-13,16H,14-15,17-18H2,1-4H3,(H2,36,37,42)
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]leuprorelin from recombinant human GnRH receptor expressed in CHO cells after 60 mins by X-ray counter


J Med Chem 54: 4998-5012 (2011)


Article DOI: 10.1021/jm200216q
BindingDB Entry DOI: 10.7270/Q22N52MK
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50347989
PNG
(CHEMBL1800668)
Show SMILES COCCN(C)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(=O)NOC)cc1
Show InChI InChI=1S/C32H31F2N5O5S/c1-37(16-17-43-2)18-24-27-29(40)39(22-8-5-4-6-9-22)32(42)38(19-23-25(33)10-7-11-26(23)34)30(27)45-28(24)20-12-14-21(15-13-20)35-31(41)36-44-3/h4-15H,16-19H2,1-3H3,(H2,35,36,41)
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]leuprorelin from recombinant human GnRH receptor expressed in CHO cells after 60 mins by X-ray counter


J Med Chem 54: 4998-5012 (2011)


Article DOI: 10.1021/jm200216q
BindingDB Entry DOI: 10.7270/Q22N52MK
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50347995
PNG
(CHEMBL1800664)
Show SMILES CONC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1cccc(CO)n1
Show InChI InChI=1S/C36H32F2N6O5S/c1-42(18-24-8-6-9-25(21-45)39-24)19-28-31-33(46)44(26-10-4-3-5-11-26)36(48)43(20-27-29(37)12-7-13-30(27)38)34(31)50-32(28)22-14-16-23(17-15-22)40-35(47)41-49-2/h3-17,45H,18-21H2,1-2H3,(H2,40,41,47)
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]leuprorelin from recombinant human GnRH receptor expressed in CHO cells after 60 mins by X-ray counter


J Med Chem 54: 4998-5012 (2011)


Article DOI: 10.1021/jm200216q
BindingDB Entry DOI: 10.7270/Q22N52MK
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50122654
PNG
(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Show SMILES CONC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C36H31F2N5O4S/c1-41(20-23-10-5-3-6-11-23)21-28-31-33(44)43(26-12-7-4-8-13-26)36(46)42(22-27-29(37)14-9-15-30(27)38)34(31)48-32(28)24-16-18-25(19-17-24)39-35(45)40-47-2/h3-19H,20-22H2,1-2H3,(H2,39,40,45)
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]leuprorelin from recombinant human GnRH receptor expressed in CHO cells after 60 mins by X-ray counter


J Med Chem 54: 4998-5012 (2011)


Article DOI: 10.1021/jm200216q
BindingDB Entry DOI: 10.7270/Q22N52MK
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50155363
PNG
(7-Chloro-2-oxo-4-[2-(4-oxo-azetidin-2-yl)-ethoxy]-...)
Show SMILES Cc1cc(cc(C)c1C)-c1c(OCC[C@H]2CC(=O)N2)c2cc(C(=O)Nc3cnsn3)c(Cl)cc2[nH]c1=O
Show InChI InChI=1S/C26H24ClN5O4S/c1-12-6-15(7-13(2)14(12)3)23-24(36-5-4-16-8-22(33)29-16)18-9-17(19(27)10-20(18)30-26(23)35)25(34)31-21-11-28-37-32-21/h6-7,9-11,16H,4-5,8H2,1-3H3,(H,29,33)(H,30,35)(H,31,32,34)/t16-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin releasing hormone receptor expressed in CHO cells was determined by using [125I]-buserelin as radioligand


Bioorg Med Chem Lett 14: 5599-603 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.056
BindingDB Entry DOI: 10.7270/Q20V8C8D
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50122652
PNG
(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C37H33F2N5O3S/c1-3-40-36(46)41-26-19-17-25(18-20-26)33-29(22-42(2)21-24-11-6-4-7-12-24)32-34(45)44(27-13-8-5-9-14-27)37(47)43(35(32)48-33)23-28-30(38)15-10-16-31(28)39/h4-20H,3,21-23H2,1-2H3,(H2,40,41,46)
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Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Antagonist concentration required to inhibit specific binding of [125I]leuprorelin to human luteinizing releasing hormone receptor in cloned chinese ...


J Med Chem 46: 113-24 (2002)


Article DOI: 10.1021/jm020180i
BindingDB Entry DOI: 10.7270/Q26W9BTR
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50347983
PNG
(CHEMBL1800158)
Show SMILES CONC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccc(OC)nc3)c(=O)c2c1CN(C)C
Show InChI InChI=1S/C30H28F2N6O5S/c1-36(2)15-21-25-27(39)38(19-12-13-24(42-3)33-14-19)30(41)37(16-20-22(31)6-5-7-23(20)32)28(25)44-26(21)17-8-10-18(11-9-17)34-29(40)35-43-4/h5-14H,15-16H2,1-4H3,(H2,34,35,40)
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n/an/a 0.120n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]leuprorelin from recombinant human GnRH receptor expressed in CHO cells after 60 mins by X-ray counter


J Med Chem 54: 4998-5012 (2011)


Article DOI: 10.1021/jm200216q
BindingDB Entry DOI: 10.7270/Q22N52MK
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50347986
PNG
(CHEMBL1800155)
Show SMILES COCCN(C)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccc(OC)cc3)c(=O)c12)-c1ccc(NC(=O)NOC)cc1
Show InChI InChI=1S/C33H33F2N5O6S/c1-38(16-17-44-2)18-25-28-30(41)40(22-12-14-23(45-3)15-13-22)33(43)39(19-24-26(34)6-5-7-27(24)35)31(28)47-29(25)20-8-10-21(11-9-20)36-32(42)37-46-4/h5-15H,16-19H2,1-4H3,(H2,36,37,42)
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n/an/a 0.170n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human GnRH receptor expressed in CHO cells assessed as inhibition of GnRH-induced arachadonic acid release using [5,6,8,9,11,1...


J Med Chem 54: 4998-5012 (2011)


Article DOI: 10.1021/jm200216q
BindingDB Entry DOI: 10.7270/Q22N52MK
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50347987
PNG
(CHEMBL1800153)
Show SMILES COCCN(C)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccc(C)cn3)c(=O)c12)-c1ccc(NC(=O)NOC)cc1
Show InChI InChI=1S/C32H32F2N6O5S/c1-19-8-13-26(35-16-19)40-29(41)27-23(17-38(2)14-15-44-3)28(20-9-11-21(12-10-20)36-31(42)37-45-4)46-30(27)39(32(40)43)18-22-24(33)6-5-7-25(22)34/h5-13,16H,14-15,17-18H2,1-4H3,(H2,36,37,42)
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n/an/a 0.180n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human GnRH receptor expressed in CHO cells assessed as inhibition of GnRH-induced arachadonic acid release using [5,6,8,9,11,1...


J Med Chem 54: 4998-5012 (2011)


Article DOI: 10.1021/jm200216q
BindingDB Entry DOI: 10.7270/Q22N52MK
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50067485
PNG
(3-[(Benzyl-methyl-amino)-methyl]-7-(2,6-difluoro-b...)
Show SMILES CC(C)OC(=O)c1cn(Cc2c(F)cccc2F)c2sc(c(CN(C)Cc3ccccc3)c2c1=O)-c1ccc(NC(=O)C(C)C)cc1
Show InChI InChI=1S/C37H37F2N3O4S/c1-22(2)35(44)40-26-16-14-25(15-17-26)34-28(19-41(5)18-24-10-7-6-8-11-24)32-33(43)29(37(45)46-23(3)4)21-42(36(32)47-34)20-27-30(38)12-9-13-31(27)39/h6-17,21-23H,18-20H2,1-5H3,(H,40,44)
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Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
The Compound was tested for the concentration to inhibit 50% of [125 I ]leuprorelin binding to the cloned human Leutinizing releasing hormone recepto...


J Med Chem 41: 4190-5 (1998)


Article DOI: 10.1021/jm9803673
BindingDB Entry DOI: 10.7270/Q2CR5V19
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50067485
PNG
(3-[(Benzyl-methyl-amino)-methyl]-7-(2,6-difluoro-b...)
Show SMILES CC(C)OC(=O)c1cn(Cc2c(F)cccc2F)c2sc(c(CN(C)Cc3ccccc3)c2c1=O)-c1ccc(NC(=O)C(C)C)cc1
Show InChI InChI=1S/C37H37F2N3O4S/c1-22(2)35(44)40-26-16-14-25(15-17-26)34-28(19-41(5)18-24-10-7-6-8-11-24)32-33(43)29(37(45)46-23(3)4)21-42(36(32)47-34)20-27-30(38)12-9-13-31(27)39/h6-17,21-23H,18-20H2,1-5H3,(H,40,44)
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Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability of compound to inhibit [I125-Tyr5,DLeu6,NMeLeu7,Pro9-NEt]GnRH agonist binding to the cloned human Gonadotropin-releasing hormone receptor was...


Bioorg Med Chem Lett 12: 2179-83 (2002)


Article DOI: 10.1016/s0960-894x(02)00370-0
BindingDB Entry DOI: 10.7270/Q28S4P8D
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50122660
PNG
(1-{4-[5-[(Benzyl-methyl-amino)-methyl]-1-(2,6-difl...)
Show SMILES CC(C)NC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C38H35F2N5O3S/c1-24(2)41-37(47)42-27-19-17-26(18-20-27)34-30(22-43(3)21-25-11-6-4-7-12-25)33-35(46)45(28-13-8-5-9-14-28)38(48)44(36(33)49-34)23-29-31(39)15-10-16-32(29)40/h4-20,24H,21-23H2,1-3H3,(H2,41,42,47)
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Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Antagonist concentration required to inhibit specific binding of [125I]leuprorelin to human luteinizing releasing hormone receptor in cloned chinese ...


J Med Chem 46: 113-24 (2002)


Article DOI: 10.1021/jm020180i
BindingDB Entry DOI: 10.7270/Q26W9BTR
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50122667
PNG
(1-{4-[5-[(Benzyl-methyl-amino)-methyl]-1-(2,6-difl...)
Show SMILES CCONC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C37H33F2N5O4S/c1-3-48-41-36(46)40-26-19-17-25(18-20-26)33-29(22-42(2)21-24-11-6-4-7-12-24)32-34(45)44(27-13-8-5-9-14-27)37(47)43(35(32)49-33)23-28-30(38)15-10-16-31(28)39/h4-20H,3,21-23H2,1-2H3,(H2,40,41,46)
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Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Antagonist concentration required to inhibit specific binding of [125I]leuprorelin to human luteinizing releasing hormone receptor in cloned chinese ...


J Med Chem 46: 113-24 (2002)


Article DOI: 10.1021/jm020180i
BindingDB Entry DOI: 10.7270/Q26W9BTR
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50067485
PNG
(3-[(Benzyl-methyl-amino)-methyl]-7-(2,6-difluoro-b...)
Show SMILES CC(C)OC(=O)c1cn(Cc2c(F)cccc2F)c2sc(c(CN(C)Cc3ccccc3)c2c1=O)-c1ccc(NC(=O)C(C)C)cc1
Show InChI InChI=1S/C37H37F2N3O4S/c1-22(2)35(44)40-26-16-14-25(15-17-26)34-28(19-41(5)18-24-10-7-6-8-11-24)32-33(43)29(37(45)46-23(3)4)21-42(36(32)47-34)20-27-30(38)12-9-13-31(27)39/h6-17,21-23H,18-20H2,1-5H3,(H,40,44)
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Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Antagonist concentration required to inhibit specific binding of [125I]leuprorelin to human luteinizing releasing hormone receptor in cloned chinese ...


J Med Chem 46: 113-24 (2002)


Article DOI: 10.1021/jm020180i
BindingDB Entry DOI: 10.7270/Q26W9BTR
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50189707
PNG
(3-(N-benzyl-N-methylaminomethyl)-7-(2,6-difluorobe...)
Show SMILES CC(C)C(=O)c1cn(Cc2c(F)cccc2F)c2sc(c(CN(C)Cc3ccccc3)c2c1=O)-c1ccc(NC(=O)CO)cc1
Show InChI InChI=1S/C35H33F2N3O4S/c1-21(2)32(43)27-19-40(18-25-28(36)10-7-11-29(25)37)35-31(33(27)44)26(17-39(3)16-22-8-5-4-6-9-22)34(45-35)23-12-14-24(15-13-23)38-30(42)20-41/h4-15,19,21,41H,16-18,20H2,1-3H3,(H,38,42)
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [125I]leuprorelin binding to human recombinant LHRH receptor expressed in CHO cells


J Med Chem 49: 3809-25 (2006)


Article DOI: 10.1021/jm0512894
BindingDB Entry DOI: 10.7270/Q2VQ33G8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50189720
PNG
(3-(N-benzyl-N-methylaminomethyl)-7-(2,6-difluorobe...)
Show SMILES CC(C)C(=O)c1cn(Cc2c(F)cccc2F)c2sc(c(CN(C)Cc3ccccc3)c2c1=O)-c1ccc(NC(=O)C(C)(C)O)cc1
Show InChI InChI=1S/C37H37F2N3O4S/c1-22(2)32(43)28-21-42(20-26-29(38)12-9-13-30(26)39)35-31(33(28)44)27(19-41(5)18-23-10-7-6-8-11-23)34(47-35)24-14-16-25(17-15-24)40-36(45)37(3,4)46/h6-17,21-22,46H,18-20H2,1-5H3,(H,40,45)
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [125I]leuprorelin binding to human recombinant LHRH receptor expressed in CHO cells


J Med Chem 49: 3809-25 (2006)


Article DOI: 10.1021/jm0512894
BindingDB Entry DOI: 10.7270/Q2VQ33G8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50189727
PNG
(CHEMBL211503 | N-(4-(7-(2,6-difluorobenzyl)-3-((be...)
Show SMILES CC(C)C(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)cc(C(=O)C(C)C)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C37H37F2N3O3S/c1-22(2)33(43)29-21-42(20-27-30(38)12-9-13-31(27)39)37-32(34(29)44)28(19-41(5)18-24-10-7-6-8-11-24)35(46-37)25-14-16-26(17-15-25)40-36(45)23(3)4/h6-17,21-23H,18-20H2,1-5H3,(H,40,45)
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [125I]leuprorelin binding to human recombinant LHRH receptor expressed in CHO cells


J Med Chem 49: 3809-25 (2006)


Article DOI: 10.1021/jm0512894
BindingDB Entry DOI: 10.7270/Q2VQ33G8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50189723
PNG
(CHEMBL540109 | ethyl 3-(N-benzyl-N-methylaminometh...)
Show SMILES CCOC(=O)c1cn(Cc2c(F)cccc2F)c2sc(c(CN(C)Cc3ccccc3)c2c1=O)-c1ccc(NC(=O)C(C)C)cc1
Show InChI InChI=1S/C36H35F2N3O4S/c1-5-45-36(44)28-21-41(20-26-29(37)12-9-13-30(26)38)35-31(32(28)42)27(19-40(4)18-23-10-7-6-8-11-23)33(46-35)24-14-16-25(17-15-24)39-34(43)22(2)3/h6-17,21-22H,5,18-20H2,1-4H3,(H,39,43)
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [125I]leuprorelin binding to human recombinant LHRH receptor expressed in CHO cells


J Med Chem 49: 3809-25 (2006)


Article DOI: 10.1021/jm0512894
BindingDB Entry DOI: 10.7270/Q2VQ33G8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50189704
PNG
(3-(N-benzyl-N-methylaminomethyl)-7-(2,6-difluorobe...)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)cc(C(=O)C(C)C)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C35H34F2N4O3S/c1-21(2)31(42)27-20-41(19-25-28(36)11-8-12-29(25)37)34-30(32(27)43)26(18-40(4)17-22-9-6-5-7-10-22)33(45-34)23-13-15-24(16-14-23)39-35(44)38-3/h5-16,20-21H,17-19H2,1-4H3,(H2,38,39,44)
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [125I]leuprorelin binding to monkey recombinant LHRH receptor expressed in CHO cells


J Med Chem 49: 3809-25 (2006)


Article DOI: 10.1021/jm0512894
BindingDB Entry DOI: 10.7270/Q2VQ33G8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50067485
PNG
(3-[(Benzyl-methyl-amino)-methyl]-7-(2,6-difluoro-b...)
Show SMILES CC(C)OC(=O)c1cn(Cc2c(F)cccc2F)c2sc(c(CN(C)Cc3ccccc3)c2c1=O)-c1ccc(NC(=O)C(C)C)cc1
Show InChI InChI=1S/C37H37F2N3O4S/c1-22(2)35(44)40-26-16-14-25(15-17-26)34-28(19-41(5)18-24-10-7-6-8-11-24)32-33(43)29(37(45)46-23(3)4)21-42(36(32)47-34)20-27-30(38)12-9-13-31(27)39/h6-17,21-23H,18-20H2,1-5H3,(H,40,44)
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [125I]leuprorelin binding to human recombinant LHRH receptor expressed in CHO cells


J Med Chem 49: 3809-25 (2006)


Article DOI: 10.1021/jm0512894
BindingDB Entry DOI: 10.7270/Q2VQ33G8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50104550
PNG
(5-(2-{(S)-2-[5-[2-(2-Aza-bicyclo[2.2.2]oct-2-yl)-1...)
Show SMILES C[C@H](CNCCc1ccc(=O)n(C)c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C38H48N4O2/c1-24-17-25(2)19-29(18-24)36-35(26(3)21-39-16-15-28-9-14-34(43)41(6)22-28)32-20-30(10-13-33(32)40-36)38(4,5)37(44)42-23-27-7-11-31(42)12-8-27/h9-10,13-14,17-20,22,26-27,31,39-40H,7-8,11-12,15-16,21,23H2,1-6H3/t26-,27?,31?/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin.


Bioorg Med Chem Lett 11: 2597-602 (2001)


Article DOI: 10.1016/s0960-894x(01)00512-1
BindingDB Entry DOI: 10.7270/Q2NV9HKC
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50067485
PNG
(3-[(Benzyl-methyl-amino)-methyl]-7-(2,6-difluoro-b...)
Show SMILES CC(C)OC(=O)c1cn(Cc2c(F)cccc2F)c2sc(c(CN(C)Cc3ccccc3)c2c1=O)-c1ccc(NC(=O)C(C)C)cc1
Show InChI InChI=1S/C37H37F2N3O4S/c1-22(2)35(44)40-26-16-14-25(15-17-26)34-28(19-41(5)18-24-10-7-6-8-11-24)32-33(43)29(37(45)46-23(3)4)21-42(36(32)47-34)20-27-30(38)12-9-13-31(27)39/h6-17,21-23H,18-20H2,1-5H3,(H,40,44)
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Neurocrine Biosciences, Inc

Curated by ChEMBL


Assay Description
Binding affinity at human GnRH receptor


J Med Chem 51: 3331-48 (2008)


Article DOI: 10.1021/jm701249f
BindingDB Entry DOI: 10.7270/Q2KD1XQ0
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50347985
PNG
(CHEMBL1800156)
Show SMILES COCCN(C)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccc(OC)nc3)c(=O)c12)-c1ccc(NC(=O)NOC)cc1
Show InChI InChI=1S/C32H32F2N6O6S/c1-38(14-15-44-2)17-23-27-29(41)40(21-12-13-26(45-3)35-16-21)32(43)39(18-22-24(33)6-5-7-25(22)34)30(27)47-28(23)19-8-10-20(11-9-19)36-31(42)37-46-4/h5-13,16H,14-15,17-18H2,1-4H3,(H2,36,37,42)
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]leuprorelin from recombinant human GnRH receptor expressed in CHO cells after 60 mins by X-ray counter


J Med Chem 54: 4998-5012 (2011)


Article DOI: 10.1021/jm200216q
BindingDB Entry DOI: 10.7270/Q22N52MK
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50347990
PNG
(CHEMBL1800154)
Show SMILES COCCN(C)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccc(F)cn3)c(=O)c12)-c1ccc(NC(=O)NOC)cc1
Show InChI InChI=1S/C31H29F3N6O5S/c1-38(13-14-44-2)16-22-26-28(41)40(25-12-9-19(32)15-35-25)31(43)39(17-21-23(33)5-4-6-24(21)34)29(26)46-27(22)18-7-10-20(11-8-18)36-30(42)37-45-3/h4-12,15H,13-14,16-17H2,1-3H3,(H2,36,37,42)
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]leuprorelin from recombinant human GnRH receptor expressed in CHO cells after 60 mins by X-ray counter


J Med Chem 54: 4998-5012 (2011)


Article DOI: 10.1021/jm200216q
BindingDB Entry DOI: 10.7270/Q22N52MK
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50347988
PNG
(CHEMBL1800152 | US9346822, 40)
Show SMILES COCCN(C)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccn3)c(=O)c12)-c1ccc(NC(=O)NOC)cc1
Show InChI InChI=1S/C31H30F2N6O5S/c1-37(15-16-43-2)17-22-26-28(40)39(25-9-4-5-14-34-25)31(42)38(18-21-23(32)7-6-8-24(21)33)29(26)45-27(22)19-10-12-20(13-11-19)35-30(41)36-44-3/h4-14H,15-18H2,1-3H3,(H2,35,36,41)
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n/an/a 0.200n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]leuprorelin from recombinant human GnRH receptor expressed in CHO cells after 60 mins by X-ray counter


J Med Chem 54: 4998-5012 (2011)


Article DOI: 10.1021/jm200216q
BindingDB Entry DOI: 10.7270/Q22N52MK
More data for this
Ligand-Target Pair
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