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Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50013637   
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))
BDBM50132724
PNG
((R)-1-(2,6-difluorobenzyl)-5-(3-methoxyphenyl)-6-m...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](C)N(C)CCc2ccccn2)c1=O |r|
Show InChI InChI=1S/C30H32F2N4O3/c1-20(34(3)16-14-23-10-5-6-15-33-23)18-36-29(37)28(22-9-7-11-24(17-22)39-4)21(2)35(30(36)38)19-25-26(31)12-8-13-27(25)32/h5-13,15,17,20H,14,16,18-19H2,1-4H3/t20-/m1/s1
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5.20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit des-Gly10[125I-Tyr5,DLeu6,NMeLeu7, Pro9-NEt]-GnRH radioligand binding to the cloned human gonadotropin-releasing hormone receptor ...


Bioorg Med Chem Lett 13: 3311-5 (2003)


BindingDB Entry DOI: 10.7270/Q2ST7P73
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50132726
PNG
((R)-1-(2,6-difluorobenzyl)-5-(3-methoxyphenyl)-6-m...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](C)N(C)Cc2ccccn2)c1=O |r|
Show InChI InChI=1S/C29H30F2N4O3/c1-19(33(3)17-22-10-5-6-14-32-22)16-35-28(36)27(21-9-7-11-23(15-21)38-4)20(2)34(29(35)37)18-24-25(30)12-8-13-26(24)31/h5-15,19H,16-18H2,1-4H3/t19-/m1/s1
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5.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit des-Gly10[125I-Tyr5,DLeu6,NMeLeu7, Pro9-NEt]-GnRH radioligand binding to the cloned human gonadotropin-releasing hormone receptor ...


Bioorg Med Chem Lett 13: 3311-5 (2003)


BindingDB Entry DOI: 10.7270/Q2ST7P73
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50132719
PNG
(1-(2,6-Difluoro-benzyl)-5-(3-methoxy-phenyl)-6-met...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CC(C)N(C)CCc2ccccn2)c1=O
Show InChI InChI=1S/C30H32F2N4O3/c1-20(34(3)16-14-23-10-5-6-15-33-23)18-36-29(37)28(22-9-7-11-24(17-22)39-4)21(2)35(30(36)38)19-25-26(31)12-8-13-27(25)32/h5-13,15,17,20H,14,16,18-19H2,1-4H3
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12n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit des-Gly10[125I-Tyr5,DLeu6,NMeLeu7, Pro9-NEt]-GnRH radioligand binding to the cloned human gonadotropin-releasing hormone receptor ...


Bioorg Med Chem Lett 13: 3311-5 (2003)


BindingDB Entry DOI: 10.7270/Q2ST7P73
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50132729
PNG
((R)-1-(2,6-difluorobenzyl)-5-(3-methoxyphenyl)-6-m...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](C)NCc2ccccn2)c1=O |r|
Show InChI InChI=1S/C28H28F2N4O3/c1-18(32-15-21-9-4-5-13-31-21)16-34-27(35)26(20-8-6-10-22(14-20)37-3)19(2)33(28(34)36)17-23-24(29)11-7-12-25(23)30/h4-14,18,32H,15-17H2,1-3H3/t18-/m1/s1
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15n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit des-Gly10[125I-Tyr5,DLeu6,NMeLeu7, Pro9-NEt]-GnRH radioligand binding to the cloned human gonadotropin-releasing hormone receptor ...


Bioorg Med Chem Lett 13: 3311-5 (2003)


BindingDB Entry DOI: 10.7270/Q2ST7P73
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50132733
PNG
(1-(2,6-Difluoro-benzyl)-5-(3-methoxy-phenyl)-6-met...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CC(C)N(C)Cc2ccccn2)c1=O
Show InChI InChI=1S/C29H30F2N4O3/c1-19(33(3)17-22-10-5-6-14-32-22)16-35-28(36)27(21-9-7-11-23(15-21)38-4)20(2)34(29(35)37)18-24-25(30)12-8-13-26(24)31/h5-15,19H,16-18H2,1-4H3
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18n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit des-Gly10[125I-Tyr5,DLeu6,NMeLeu7, Pro9-NEt]-GnRH radioligand binding to the cloned human gonadotropin-releasing hormone receptor ...


Bioorg Med Chem Lett 13: 3311-5 (2003)


BindingDB Entry DOI: 10.7270/Q2ST7P73
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50132731
PNG
(1-(2,6-Difluoro-benzyl)-5-(3-methoxy-phenyl)-6-met...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H]2CCCN2Cc2ccccn2)c1=O
Show InChI InChI=1S/C30H30F2N4O3/c1-20-28(21-8-5-11-24(16-21)39-2)29(37)36(30(38)35(20)19-25-26(31)12-6-13-27(25)32)18-23-10-7-15-34(23)17-22-9-3-4-14-33-22/h3-6,8-9,11-14,16,23H,7,10,15,17-19H2,1-2H3/t23-/m1/s1
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32n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit des-Gly10[125I-Tyr5,DLeu6,NMeLeu7, Pro9-NEt]-GnRH radioligand binding to the cloned human gonadotropin-releasing hormone receptor ...


Bioorg Med Chem Lett 13: 3311-5 (2003)


BindingDB Entry DOI: 10.7270/Q2ST7P73
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50132728
PNG
(1-(2,6-Difluoro-benzyl)-5-(3-methoxy-phenyl)-6-met...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CCN(C)CCc2ccccn2)c1=O
Show InChI InChI=1S/C29H30F2N4O3/c1-20-27(21-8-6-10-23(18-21)38-3)28(36)34(17-16-33(2)15-13-22-9-4-5-14-32-22)29(37)35(20)19-24-25(30)11-7-12-26(24)31/h4-12,14,18H,13,15-17,19H2,1-3H3
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34n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit des-Gly10[125I-Tyr5,DLeu6,NMeLeu7, Pro9-NEt]-GnRH radioligand binding to the cloned human gonadotropin-releasing hormone receptor ...


Bioorg Med Chem Lett 13: 3311-5 (2003)


BindingDB Entry DOI: 10.7270/Q2ST7P73
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50132744
PNG
(1-(2,6-Difluoro-benzyl)-5-(3-methoxy-phenyl)-6-met...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CC(C)NCc2ccccn2)c1=O
Show InChI InChI=1S/C28H28F2N4O3/c1-18(32-15-21-9-4-5-13-31-21)16-34-27(35)26(20-8-6-10-22(14-20)37-3)19(2)33(28(34)36)17-23-24(29)11-7-12-25(23)30/h4-14,18,32H,15-17H2,1-3H3
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53n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit des-Gly10[125I-Tyr5,DLeu6,NMeLeu7, Pro9-NEt]-GnRH radioligand binding to the cloned human gonadotropin-releasing hormone receptor ...


Bioorg Med Chem Lett 13: 3311-5 (2003)


BindingDB Entry DOI: 10.7270/Q2ST7P73
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50132745
PNG
(1-(2,6-Difluoro-benzyl)-5-(3-methoxy-phenyl)-6-met...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](C)NCCc2ccccn2)c1=O
Show InChI InChI=1S/C29H30F2N4O3/c1-19(32-15-13-22-9-4-5-14-33-22)17-35-28(36)27(21-8-6-10-23(16-21)38-3)20(2)34(29(35)37)18-24-25(30)11-7-12-26(24)31/h4-12,14,16,19,32H,13,15,17-18H2,1-3H3/t19-/m1/s1
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79n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit des-Gly10[125I-Tyr5,DLeu6,NMeLeu7, Pro9-NEt]-GnRH radioligand binding to the cloned human gonadotropin-releasing hormone receptor ...


Bioorg Med Chem Lett 13: 3311-5 (2003)


BindingDB Entry DOI: 10.7270/Q2ST7P73
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50132725
PNG
(1-(2,6-Difluoro-benzyl)-3-[2-(3-isobutoxy-propylam...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CC(C)NCCCOCC(C)C)c1=O
Show InChI InChI=1S/C29H37F2N3O4/c1-19(2)18-38-14-8-13-32-20(3)16-34-28(35)27(22-9-6-10-23(15-22)37-5)21(4)33(29(34)36)17-24-25(30)11-7-12-26(24)31/h6-7,9-12,15,19-20,32H,8,13-14,16-18H2,1-5H3
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81n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit des-Gly10[125I-Tyr5,DLeu6,NMeLeu7, Pro9-NEt]-GnRH radioligand binding to the cloned human gonadotropin-releasing hormone receptor ...


Bioorg Med Chem Lett 13: 3311-5 (2003)


BindingDB Entry DOI: 10.7270/Q2ST7P73
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50132730
PNG
(1-(2,6-Difluoro-benzyl)-5-(3-methoxy-phenyl)-6-met...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CCN(C)Cc2ccccn2)c1=O
Show InChI InChI=1S/C28H28F2N4O3/c1-19-26(20-8-6-10-22(16-20)37-3)27(35)33(15-14-32(2)17-21-9-4-5-13-31-21)28(36)34(19)18-23-24(29)11-7-12-25(23)30/h4-13,16H,14-15,17-18H2,1-3H3
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96n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit des-Gly10[125I-Tyr5,DLeu6,NMeLeu7, Pro9-NEt]-GnRH radioligand binding to the cloned human gonadotropin-releasing hormone receptor ...


Bioorg Med Chem Lett 13: 3311-5 (2003)


BindingDB Entry DOI: 10.7270/Q2ST7P73
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50132726
PNG
((R)-1-(2,6-difluorobenzyl)-5-(3-methoxyphenyl)-6-m...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](C)N(C)Cc2ccccn2)c1=O |r|
Show InChI InChI=1S/C29H30F2N4O3/c1-19(33(3)17-22-10-5-6-14-32-22)16-35-28(36)27(21-9-7-11-23(15-21)38-4)20(2)34(29(35)37)18-24-25(30)12-8-13-26(24)31/h5-15,19H,16-18H2,1-4H3/t19-/m1/s1
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102n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards monkey gonadotropin releasing hormone receptor


Bioorg Med Chem Lett 13: 3311-5 (2003)


BindingDB Entry DOI: 10.7270/Q2ST7P73
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50132721
PNG
(3-((R)-2-Benzylamino-propyl)-1-(2,6-difluoro-benzy...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](C)NCc2ccccc2)c1=O
Show InChI InChI=1S/C29H29F2N3O3/c1-19(32-16-21-9-5-4-6-10-21)17-34-28(35)27(22-11-7-12-23(15-22)37-3)20(2)33(29(34)36)18-24-25(30)13-8-14-26(24)31/h4-15,19,32H,16-18H2,1-3H3/t19-/m1/s1
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130n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit des-Gly10[125I-Tyr5,DLeu6,NMeLeu7, Pro9-NEt]-GnRH radioligand binding to the cloned human gonadotropin-releasing hormone receptor ...


Bioorg Med Chem Lett 13: 3311-5 (2003)


BindingDB Entry DOI: 10.7270/Q2ST7P73
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50132723
PNG
(3-((S)-2-Benzylamino-propyl)-1-(2,6-difluoro-benzy...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](C)NCc2ccccc2)c1=O
Show InChI InChI=1S/C29H29F2N3O3/c1-19(32-16-21-9-5-4-6-10-21)17-34-28(35)27(22-11-7-12-23(15-22)37-3)20(2)33(29(34)36)18-24-25(30)13-8-14-26(24)31/h4-15,19,32H,16-18H2,1-3H3/t19-/m0/s1
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140n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit des-Gly10[125I-Tyr5,DLeu6,NMeLeu7, Pro9-NEt]-GnRH radioligand binding to the cloned human gonadotropin-releasing hormone receptor ...


Bioorg Med Chem Lett 13: 3311-5 (2003)


BindingDB Entry DOI: 10.7270/Q2ST7P73
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50132735
PNG
(1-(2,6-Difluoro-benzyl)-5-(3-methoxy-phenyl)-6-met...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CC(C)NCCc2ccccn2)c1=O
Show InChI InChI=1S/C29H30F2N4O3/c1-19(32-15-13-22-9-4-5-14-33-22)17-35-28(36)27(21-8-6-10-23(16-21)38-3)20(2)34(29(35)37)18-24-25(30)11-7-12-26(24)31/h4-12,14,16,19,32H,13,15,17-18H2,1-3H3
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170n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit des-Gly10[125I-Tyr5,DLeu6,NMeLeu7, Pro9-NEt]-GnRH radioligand binding to the cloned human gonadotropin-releasing hormone receptor ...


Bioorg Med Chem Lett 13: 3311-5 (2003)


BindingDB Entry DOI: 10.7270/Q2ST7P73
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50132720
PNG
(1-(2,6-Difluoro-benzyl)-5-(3-methoxy-phenyl)-6-met...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H]2CCCN2Cc2ccccn2)c1=O
Show InChI InChI=1S/C30H30F2N4O3/c1-20-28(21-8-5-11-24(16-21)39-2)29(37)36(30(38)35(20)19-25-26(31)12-6-13-27(25)32)18-23-10-7-15-34(23)17-22-9-3-4-14-33-22/h3-6,8-9,11-14,16,23H,7,10,15,17-19H2,1-2H3/t23-/m0/s1
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210n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit des-Gly10[125I-Tyr5,DLeu6,NMeLeu7, Pro9-NEt]-GnRH radioligand binding to the cloned human gonadotropin-releasing hormone receptor ...


Bioorg Med Chem Lett 13: 3311-5 (2003)


BindingDB Entry DOI: 10.7270/Q2ST7P73
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50132738
PNG
(1-(2,6-Difluoro-benzyl)-3-{2-[(3-isobutoxy-propyl)...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CC(C)N(C)CCCOCC(C)C)c1=O
Show InChI InChI=1S/C30H39F2N3O4/c1-20(2)19-39-15-9-14-33(5)21(3)17-35-29(36)28(23-10-7-11-24(16-23)38-6)22(4)34(30(35)37)18-25-26(31)12-8-13-27(25)32/h7-8,10-13,16,20-21H,9,14-15,17-19H2,1-6H3
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240n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit des-Gly10[125I-Tyr5,DLeu6,NMeLeu7, Pro9-NEt]-GnRH radioligand binding to the cloned human gonadotropin-releasing hormone receptor ...


Bioorg Med Chem Lett 13: 3311-5 (2003)


BindingDB Entry DOI: 10.7270/Q2ST7P73
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50132722
PNG
(3-[(S)-2-(Benzyl-methyl-amino)-propyl]-1-(2,6-difl...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](C)N(C)Cc2ccccc2)c1=O
Show InChI InChI=1S/C30H31F2N3O3/c1-20(33(3)18-22-10-6-5-7-11-22)17-35-29(36)28(23-12-8-13-24(16-23)38-4)21(2)34(30(35)37)19-25-26(31)14-9-15-27(25)32/h5-16,20H,17-19H2,1-4H3/t20-/m0/s1
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250n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit des-Gly10[125I-Tyr5,DLeu6,NMeLeu7, Pro9-NEt]-GnRH radioligand binding to the cloned human gonadotropin-releasing hormone receptor ...


Bioorg Med Chem Lett 13: 3311-5 (2003)


BindingDB Entry DOI: 10.7270/Q2ST7P73
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50132739
PNG
(3-(2-Benzylamino-propyl)-1-(2,6-difluoro-benzyl)-5...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CC(C)NCc2ccccc2)c1=O
Show InChI InChI=1S/C29H29F2N3O3/c1-19(32-16-21-9-5-4-6-10-21)17-34-28(35)27(22-11-7-12-23(15-22)37-3)20(2)33(29(34)36)18-24-25(30)13-8-14-26(24)31/h4-15,19,32H,16-18H2,1-3H3
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280n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit des-Gly10[125I-Tyr5,DLeu6,NMeLeu7, Pro9-NEt]-GnRH radioligand binding to the cloned human gonadotropin-releasing hormone receptor ...


Bioorg Med Chem Lett 13: 3311-5 (2003)


BindingDB Entry DOI: 10.7270/Q2ST7P73
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50132740
PNG
(3-[2-(Benzyl-methyl-amino)-propyl]-1-(2,6-difluoro...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CC(C)N(C)Cc2ccccc2)c1=O
Show InChI InChI=1S/C30H31F2N3O3/c1-20(33(3)18-22-10-6-5-7-11-22)17-35-29(36)28(23-12-8-13-24(16-23)38-4)21(2)34(30(35)37)19-25-26(31)14-9-15-27(25)32/h5-16,20H,17-19H2,1-4H3
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310n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit des-Gly10[125I-Tyr5,DLeu6,NMeLeu7, Pro9-NEt]-GnRH radioligand binding to the cloned human gonadotropin-releasing hormone receptor ...


Bioorg Med Chem Lett 13: 3311-5 (2003)


BindingDB Entry DOI: 10.7270/Q2ST7P73
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50132727
PNG
(3-[(R)-2-(Benzyl-methyl-amino)-propyl]-1-(2,6-difl...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](C)N(C)Cc2ccccc2)c1=O
Show InChI InChI=1S/C30H31F2N3O3/c1-20(33(3)18-22-10-6-5-7-11-22)17-35-29(36)28(23-12-8-13-24(16-23)38-4)21(2)34(30(35)37)19-25-26(31)14-9-15-27(25)32/h5-16,20H,17-19H2,1-4H3/t20-/m1/s1
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330n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit des-Gly10[125I-Tyr5,DLeu6,NMeLeu7, Pro9-NEt]-GnRH radioligand binding to the cloned human gonadotropin-releasing hormone receptor ...


Bioorg Med Chem Lett 13: 3311-5 (2003)


BindingDB Entry DOI: 10.7270/Q2ST7P73
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50132742
PNG
(1-(2,6-Difluoro-benzyl)-5-(3-methoxy-phenyl)-6-met...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](C)NCc2ccccn2)c1=O
Show InChI InChI=1S/C28H28F2N4O3/c1-18(32-15-21-9-4-5-13-31-21)16-34-27(35)26(20-8-6-10-22(14-20)37-3)19(2)33(28(34)36)17-23-24(29)11-7-12-25(23)30/h4-14,18,32H,15-17H2,1-3H3/t18-/m0/s1
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460n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit des-Gly10[125I-Tyr5,DLeu6,NMeLeu7, Pro9-NEt]-GnRH radioligand binding to the cloned human gonadotropin-releasing hormone receptor ...


Bioorg Med Chem Lett 13: 3311-5 (2003)


BindingDB Entry DOI: 10.7270/Q2ST7P73
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50132736
PNG
(1-(2,6-Difluoro-benzyl)-5-(3-methoxy-phenyl)-6-met...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](C)N(C)Cc2ccccn2)c1=O
Show InChI InChI=1S/C29H30F2N4O3/c1-19(33(3)17-22-10-5-6-14-32-22)16-35-28(36)27(21-9-7-11-23(15-21)38-4)20(2)34(29(35)37)18-24-25(30)12-8-13-26(24)31/h5-15,19H,16-18H2,1-4H3/t19-/m0/s1
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470n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit des-Gly10[125I-Tyr5,DLeu6,NMeLeu7, Pro9-NEt]-GnRH radioligand binding to the cloned human gonadotropin-releasing hormone receptor ...


Bioorg Med Chem Lett 13: 3311-5 (2003)


BindingDB Entry DOI: 10.7270/Q2ST7P73
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50132743
PNG
(1-(2,6-Difluoro-benzyl)-5-(3-methoxy-phenyl)-6-met...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CCNCc2ccccn2)c1=O
Show InChI InChI=1S/C27H26F2N4O3/c1-18-25(19-7-5-9-21(15-19)36-2)26(34)32(14-13-30-16-20-8-3-4-12-31-20)27(35)33(18)17-22-23(28)10-6-11-24(22)29/h3-12,15,30H,13-14,16-17H2,1-2H3
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550n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit des-Gly10[125I-Tyr5,DLeu6,NMeLeu7, Pro9-NEt]-GnRH radioligand binding to the cloned human gonadotropin-releasing hormone receptor ...


Bioorg Med Chem Lett 13: 3311-5 (2003)


BindingDB Entry DOI: 10.7270/Q2ST7P73
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50132734
PNG
(1-(2,6-Difluoro-benzyl)-5-(3-methoxy-phenyl)-6-met...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](C)NCCc2ccccn2)c1=O
Show InChI InChI=1S/C29H30F2N4O3/c1-19(32-15-13-22-9-4-5-14-33-22)17-35-28(36)27(21-8-6-10-23(16-21)38-3)20(2)34(29(35)37)18-24-25(30)11-7-12-26(24)31/h4-12,14,16,19,32H,13,15,17-18H2,1-3H3/t19-/m0/s1
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780n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit des-Gly10[125I-Tyr5,DLeu6,NMeLeu7, Pro9-NEt]-GnRH radioligand binding to the cloned human gonadotropin-releasing hormone receptor ...


Bioorg Med Chem Lett 13: 3311-5 (2003)


BindingDB Entry DOI: 10.7270/Q2ST7P73
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50132732
PNG
((S)-1-(2,6-difluorobenzyl)-5-(3-methoxyphenyl)-6-m...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](C)N(C)CCc2ccccn2)c1=O |r|
Show InChI InChI=1S/C30H32F2N4O3/c1-20(34(3)16-14-23-10-5-6-15-33-23)18-36-29(37)28(22-9-7-11-24(17-22)39-4)21(2)35(30(36)38)19-25-26(31)12-8-13-27(25)32/h5-13,15,17,20H,14,16,18-19H2,1-4H3/t20-/m0/s1
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890n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit des-Gly10[125I-Tyr5,DLeu6,NMeLeu7, Pro9-NEt]-GnRH radioligand binding to the cloned human gonadotropin-releasing hormone receptor ...


Bioorg Med Chem Lett 13: 3311-5 (2003)


BindingDB Entry DOI: 10.7270/Q2ST7P73
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50128013
PNG
(1-(2,6-Difluoro-benzyl)-5-(3-methoxy-phenyl)-6-met...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CCNCCc2ccccn2)c1=O
Show InChI InChI=1S/C28H28F2N4O3/c1-19-26(20-7-5-9-22(17-20)37-2)27(35)33(16-15-31-14-12-21-8-3-4-13-32-21)28(36)34(19)18-23-24(29)10-6-11-25(23)30/h3-11,13,17,31H,12,14-16,18H2,1-2H3
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1.10E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit des-Gly10[125I-Tyr5,DLeu6,NMeLeu7, Pro9-NEt]-GnRH radioligand binding to the cloned human gonadotropin-releasing hormone receptor ...


Bioorg Med Chem Lett 13: 3311-5 (2003)


BindingDB Entry DOI: 10.7270/Q2ST7P73
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50132737
PNG
(3-((R)-2-Amino-propyl)-1-(2,6-difluoro-benzyl)-5-(...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](C)N)c1=O
Show InChI InChI=1S/C22H23F2N3O3/c1-13(25)11-27-21(28)20(15-6-4-7-16(10-15)30-3)14(2)26(22(27)29)12-17-18(23)8-5-9-19(17)24/h4-10,13H,11-12,25H2,1-3H3/t13-/m1/s1
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2.50E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit des-Gly10[125I-Tyr5,DLeu6,NMeLeu7, Pro9-NEt]-GnRH radioligand binding to the cloned human gonadotropin-releasing hormone receptor ...


Bioorg Med Chem Lett 13: 3311-5 (2003)


BindingDB Entry DOI: 10.7270/Q2ST7P73
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50132741
PNG
(3-((S)-2-Amino-propyl)-1-(2,6-difluoro-benzyl)-5-(...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](C)N)c1=O
Show InChI InChI=1S/C22H23F2N3O3/c1-13(25)11-27-21(28)20(15-6-4-7-16(10-15)30-3)14(2)26(22(27)29)12-17-18(23)8-5-9-19(17)24/h4-10,13H,11-12,25H2,1-3H3/t13-/m0/s1
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1.80E+4n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit des-Gly10[125I-Tyr5,DLeu6,NMeLeu7, Pro9-NEt]-GnRH radioligand binding to the cloned human gonadotropin-releasing hormone receptor ...


Bioorg Med Chem Lett 13: 3311-5 (2003)


BindingDB Entry DOI: 10.7270/Q2ST7P73
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50132726
PNG
((R)-1-(2,6-difluorobenzyl)-5-(3-methoxyphenyl)-6-m...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](C)N(C)Cc2ccccn2)c1=O |r|
Show InChI InChI=1S/C29H30F2N4O3/c1-19(33(3)17-22-10-5-6-14-32-22)16-35-28(36)27(21-9-7-11-23(15-21)38-4)20(2)34(29(35)37)18-24-25(30)12-8-13-26(24)31/h5-15,19H,16-18H2,1-4H3/t19-/m1/s1
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2.10E+4n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards rat GnRH gonadotropin releasing hormone receptor


Bioorg Med Chem Lett 13: 3311-5 (2003)


BindingDB Entry DOI: 10.7270/Q2ST7P73
More data for this
Ligand-Target Pair