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Compile Data Set for Download or QSAR

Found 59 hits Enz. Inhib. hit(s) with all data for entry = 50020574   
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))
BDBM50215208
PNG
(6-(2,4-dimethylbenzyl)-1-(2,6-difluorobenzyl)-3-(2...)
Show SMILES CN(CCc1ccccn1)CCn1c(=O)c2CN(Cc3ccc(C)cc3C)CCc2n(Cc2c(F)cccc2F)c1=O
Show InChI InChI=1S/C33H37F2N5O2/c1-23-10-11-25(24(2)19-23)20-38-16-13-31-28(21-38)32(41)39(18-17-37(3)15-12-26-7-4-5-14-36-26)33(42)40(31)22-27-29(34)8-6-9-30(27)35/h4-11,14,19H,12-13,15-18,20-22H2,1-3H3
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5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50215203
PNG
(1-(2,6-difluorobenzyl)-6-(4-chloro-2-methylbenzyl)...)
Show SMILES CN(CCc1ccccn1)CCn1c(=O)c2CN(Cc3ccc(Cl)cc3C)CCc2n(Cc2c(F)cccc2F)c1=O
Show InChI InChI=1S/C32H34ClF2N5O2/c1-22-18-24(33)10-9-23(22)19-38-15-12-30-27(20-38)31(41)39(17-16-37(2)14-11-25-6-3-4-13-36-25)32(42)40(30)21-26-28(34)7-5-8-29(26)35/h3-10,13,18H,11-12,14-17,19-21H2,1-2H3
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5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50215184
PNG
((R)-1-(2,6-difluorobenzyl)-6-(4-chlorobenzyl)-3-((...)
Show SMILES Fc1cccc(F)c1Cn1c2CCN(Cc3ccc(Cl)cc3)Cc2c(=O)n(C[C@H]2CCCN2CCc2ccccn2)c1=O
Show InChI InChI=1S/C33H34ClF2N5O2/c34-24-11-9-23(10-12-24)19-38-17-14-31-28(21-38)32(42)41(33(43)40(31)22-27-29(35)7-3-8-30(27)36)20-26-6-4-16-39(26)18-13-25-5-1-2-15-37-25/h1-3,5,7-12,15,26H,4,6,13-14,16-22H2/t26-/m1/s1
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10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50215168
PNG
(1-(2-fluoro-6-(trifluoromethyl)benzyl)-3-(2-(methy...)
Show SMILES CN(CCc1ccccn1)CCn1c(=O)c2CN(Cc3sc4ccccc4c3C)CCc2n(Cc2c(F)cccc2C(F)(F)F)c1=O
Show InChI InChI=1S/C35H35F4N5O2S/c1-23-25-9-3-4-12-31(25)47-32(23)22-42-17-14-30-27(20-42)33(45)43(19-18-41(2)16-13-24-8-5-6-15-40-24)34(46)44(30)21-26-28(35(37,38)39)10-7-11-29(26)36/h3-12,15H,13-14,16-22H2,1-2H3
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10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50215223
PNG
(1-(2,6-difluorobenzyl)-6-(4-(methylthio)benzyl)-3-...)
Show SMILES CSc1ccc(CN2CCc3c(C2)c(=O)n(CCN(C)CCc2ccccn2)c(=O)n3Cc2c(F)cccc2F)cc1
Show InChI InChI=1S/C32H35F2N5O2S/c1-36(16-13-24-6-3-4-15-35-24)18-19-38-31(40)27-21-37(20-23-9-11-25(42-2)12-10-23)17-14-30(27)39(32(38)41)22-26-28(33)7-5-8-29(26)34/h3-12,15H,13-14,16-22H2,1-2H3
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10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50215209
PNG
(1-(2,6-difluorobenzyl)-3-(2-(methyl(2-(pyridin-2-y...)
Show SMILES CN(CCc1ccccn1)CCn1c(=O)c2CN(Cc3sc4ccccc4c3C)CCc2n(Cc2c(F)cccc2F)c1=O
Show InChI InChI=1S/C34H35F2N5O2S/c1-23-25-9-3-4-12-31(25)44-32(23)22-39-17-14-30-27(20-39)33(42)40(19-18-38(2)16-13-24-8-5-6-15-37-24)34(43)41(30)21-26-28(35)10-7-11-29(26)36/h3-12,15H,13-14,16-22H2,1-2H3
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15n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50215165
PNG
(1-(2,6-difluorobenzyl)-6-(4-(ethylthio)benzyl)-3-(...)
Show SMILES CCSc1ccc(CN2CCc3c(C2)c(=O)n(CCN(C)CCc2ccccn2)c(=O)n3Cc2c(F)cccc2F)cc1
Show InChI InChI=1S/C33H37F2N5O2S/c1-3-43-26-12-10-24(11-13-26)21-38-18-15-31-28(22-38)32(41)39(20-19-37(2)17-14-25-7-4-5-16-36-25)33(42)40(31)23-27-29(34)8-6-9-30(27)35/h4-13,16H,3,14-15,17-23H2,1-2H3
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15n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50215214
PNG
(1-(2,6-difluorobenzyl)-6-(4-chlorobenzyl)-3-(2-(me...)
Show SMILES CN(CCc1ccccn1)CCn1c(=O)c2CN(Cc3ccc(Cl)cc3)CCc2n(Cc2c(F)cccc2F)c1=O
Show InChI InChI=1S/C31H32ClF2N5O2/c1-36(15-12-24-5-2-3-14-35-24)17-18-38-30(40)26-20-37(19-22-8-10-23(32)11-9-22)16-13-29(26)39(31(38)41)21-25-27(33)6-4-7-28(25)34/h2-11,14H,12-13,15-21H2,1H3
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17n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50215218
PNG
((R)-1-(2,6-difluorobenzyl)-6-(4-chlorobenzyl)-3-((...)
Show SMILES Fc1cccc(F)c1Cn1c2CCN(Cc3ccc(Cl)cc3)Cc2c(=O)n(C[C@H]2CCCN2Cc2ccccn2)c1=O
Show InChI InChI=1S/C32H32ClF2N5O2/c33-23-11-9-22(10-12-23)17-37-16-13-30-27(20-37)31(41)40(32(42)39(30)21-26-28(34)7-3-8-29(26)35)19-25-6-4-15-38(25)18-24-5-1-2-14-36-24/h1-3,5,7-12,14,25H,4,6,13,15-21H2/t25-/m1/s1
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20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50215204
PNG
(1-(2,6-difluorobenzyl)-6-(4-ethylbenzyl)-3-(2-(met...)
Show SMILES CCc1ccc(CN2CCc3c(C2)c(=O)n(CCN(C)CCc2ccccn2)c(=O)n3Cc2c(F)cccc2F)cc1
Show InChI InChI=1S/C33H37F2N5O2/c1-3-24-10-12-25(13-11-24)21-38-18-15-31-28(22-38)32(41)39(20-19-37(2)17-14-26-7-4-5-16-36-26)33(42)40(31)23-27-29(34)8-6-9-30(27)35/h4-13,16H,3,14-15,17-23H2,1-2H3
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20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50215193
PNG
(6-(2,4-dimethylbenzyl)-1-(2,6-difluorobenzyl)-3-((...)
Show SMILES Cc1ccc(CN2CCc3c(C2)c(=O)n(CC2CCCCN2Cc2ccccn2)c(=O)n3Cc2c(F)cccc2F)c(C)c1 |w:16.16|
Show InChI InChI=1S/C35H39F2N5O2/c1-24-12-13-26(25(2)18-24)19-39-17-14-33-30(22-39)34(43)42(35(44)41(33)23-29-31(36)10-7-11-32(29)37)21-28-9-4-6-16-40(28)20-27-8-3-5-15-38-27/h3,5,7-8,10-13,15,18,28H,4,6,9,14,16-17,19-23H2,1-2H3
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25n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50215179
PNG
(1-(2,6-difluorobenzyl)-6-(4-(trifluoromethyl)benzy...)
Show SMILES CN(CCc1ccccn1)CCn1c(=O)c2CN(Cc3ccc(cc3)C(F)(F)F)CCc2n(Cc2c(F)cccc2F)c1=O
Show InChI InChI=1S/C32H32F5N5O2/c1-39(15-12-24-5-2-3-14-38-24)17-18-41-30(43)26-20-40(19-22-8-10-23(11-9-22)32(35,36)37)16-13-29(26)42(31(41)44)21-25-27(33)6-4-7-28(25)34/h2-11,14H,12-13,15-21H2,1H3
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30n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50215211
PNG
((R)-1-(2,6-difluorobenzyl)-6-(4-chlorobenzyl)-3-((...)
Show SMILES Fc1cccc(F)c1Cn1c2CCN(Cc3ccc(Cl)cc3)Cc2c(=O)n(C[C@H]2CCCCN2CCc2ccccn2)c1=O
Show InChI InChI=1S/C34H36ClF2N5O2/c35-25-12-10-24(11-13-25)20-39-18-15-32-29(22-39)33(43)42(34(44)41(32)23-28-30(36)8-5-9-31(28)37)21-27-7-2-4-17-40(27)19-14-26-6-1-3-16-38-26/h1,3,5-6,8-13,16,27H,2,4,7,14-15,17-23H2/t27-/m1/s1
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30n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50215190
PNG
(1-(2,6-difluoro-benzyl)-6-(4-methyl-benzyl)-3-{2-[...)
Show SMILES CN(CCc1ccccn1)CCn1c(=O)c2CN(Cc3ccc(C)cc3)CCc2n(Cc2c(F)cccc2F)c1=O
Show InChI InChI=1S/C32H35F2N5O2/c1-23-9-11-24(12-10-23)20-37-17-14-30-27(21-37)31(40)38(19-18-36(2)16-13-25-6-3-4-15-35-25)32(41)39(30)22-26-28(33)7-5-8-29(26)34/h3-12,15H,13-14,16-22H2,1-2H3
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35n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50215221
PNG
((R)-1-(2,6-difluorobenzyl)-6-(4-chlorobenzyl)-3-(2...)
Show SMILES CN[C@@H](Cn1c(=O)c2CN(Cc3ccc(Cl)cc3)CCc2n(Cc2c(F)cccc2F)c1=O)c1ccccc1
Show InChI InChI=1S/C30H29ClF2N4O2/c1-34-27(21-6-3-2-4-7-21)19-37-29(38)24-17-35(16-20-10-12-22(31)13-11-20)15-14-28(24)36(30(37)39)18-23-25(32)8-5-9-26(23)33/h2-13,27,34H,14-19H2,1H3/t27-/m0/s1
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45n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50215175
PNG
((R)-1-(2,6-difluorobenzyl)-6-(4-chlorobenzyl)-3-(2...)
Show SMILES CN(C)[C@@H](Cn1c(=O)c2CN(Cc3ccc(Cl)cc3)CCc2n(Cc2c(F)cccc2F)c1=O)c1ccccc1
Show InChI InChI=1S/C31H31ClF2N4O2/c1-35(2)29(22-7-4-3-5-8-22)20-38-30(39)25-18-36(17-21-11-13-23(32)14-12-21)16-15-28(25)37(31(38)40)19-24-26(33)9-6-10-27(24)34/h3-14,29H,15-20H2,1-2H3/t29-/m0/s1
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70n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50215177
PNG
(1-(2-fluorobenzyl)-3-(2-(methyl(2-(pyridin-2-yl)et...)
Show SMILES CN(CCc1ccccn1)CCn1c(=O)c2CN(Cc3sc4ccccc4c3C)CCc2n(Cc2ccccc2F)c1=O
Show InChI InChI=1S/C34H36FN5O2S/c1-24-27-11-4-6-13-31(27)43-32(24)23-38-18-15-30-28(22-38)33(41)39(20-19-37(2)17-14-26-10-7-8-16-36-26)34(42)40(30)21-25-9-3-5-12-29(25)35/h3-13,16H,14-15,17-23H2,1-2H3
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80n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50215217
PNG
(1-(2,6-difluoro-benzyl)-6-(2-methyl-benzyl)-3-{2-[...)
Show SMILES CN(CCc1ccccn1)CCn1c(=O)c2CN(Cc3ccccc3C)CCc2n(Cc2c(F)cccc2F)c1=O
Show InChI InChI=1S/C32H35F2N5O2/c1-23-8-3-4-9-24(23)20-37-17-14-30-27(21-37)31(40)38(19-18-36(2)16-13-25-10-5-6-15-35-25)32(41)39(30)22-26-28(33)11-7-12-29(26)34/h3-12,15H,13-14,16-22H2,1-2H3
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85n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50215173
PNG
(1-(2,6-difluorobenzyl)-6-(4-methoxybenzyl)-3-(2-(m...)
Show SMILES COc1ccc(CN2CCc3c(C2)c(=O)n(CCN(C)CCc2ccccn2)c(=O)n3Cc2c(F)cccc2F)cc1
Show InChI InChI=1S/C32H35F2N5O3/c1-36(16-13-24-6-3-4-15-35-24)18-19-38-31(40)27-21-37(20-23-9-11-25(42-2)12-10-23)17-14-30(27)39(32(38)41)22-26-28(33)7-5-8-29(26)34/h3-12,15H,13-14,16-22H2,1-2H3
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100n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50215191
PNG
(6-(2,4-dimethylbenzyl)-1-(2,6-difluorobenzyl)-3-((...)
Show SMILES Cc1ccc(CN2CCc3c(C2)c(=O)n(CC2CCCN(Cc4ccccc4)C2)c(=O)n3Cc2c(F)cccc2F)c(C)c1 |w:16.16|
Show InChI InChI=1S/C36H40F2N4O2/c1-25-13-14-29(26(2)18-25)22-40-17-15-34-31(23-40)35(43)42(36(44)41(34)24-30-32(37)11-6-12-33(30)38)21-28-10-7-16-39(20-28)19-27-8-4-3-5-9-27/h3-6,8-9,11-14,18,28H,7,10,15-17,19-24H2,1-2H3
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160n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50215188
PNG
(6-(2,4-dimethylbenzyl)-1-(2,6-difluorobenzyl)-3-(2...)
Show SMILES CN(CCn1c(=O)c2CN(Cc3ccc(C)cc3C)CCc2n(Cc2c(F)cccc2F)c1=O)Cc1ccccn1
Show InChI InChI=1S/C32H35F2N5O2/c1-22-10-11-24(23(2)17-22)18-37-14-12-30-27(20-37)31(40)38(16-15-36(3)19-25-7-4-5-13-35-25)32(41)39(30)21-26-28(33)8-6-9-29(26)34/h4-11,13,17H,12,14-16,18-21H2,1-3H3
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180n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50215222
PNG
(1-(2,6-difluorobenzyl)-6-(3,4-dichlorobenzyl)-3-(2...)
Show SMILES CN(CCc1ccccn1)CCn1c(=O)c2CN(Cc3ccc(Cl)c(Cl)c3)CCc2n(Cc2c(F)cccc2F)c1=O
Show InChI InChI=1S/C31H31Cl2F2N5O2/c1-37(13-10-22-5-2-3-12-36-22)15-16-39-30(41)24-19-38(18-21-8-9-25(32)26(33)17-21)14-11-29(24)40(31(39)42)20-23-27(34)6-4-7-28(23)35/h2-9,12,17H,10-11,13-16,18-20H2,1H3
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255n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50215216
PNG
(1-(2,6-difluorobenzyl)-6-(4-tert-butylbenzyl)-3-(2...)
Show SMILES CN(CCc1ccccn1)CCn1c(=O)c2CN(Cc3ccc(cc3)C(C)(C)C)CCc2n(Cc2c(F)cccc2F)c1=O
Show InChI InChI=1S/C35H41F2N5O2/c1-35(2,3)26-13-11-25(12-14-26)22-40-19-16-32-29(23-40)33(43)41(21-20-39(4)18-15-27-8-5-6-17-38-27)34(44)42(32)24-28-30(36)9-7-10-31(28)37/h5-14,17H,15-16,18-24H2,1-4H3
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300n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50215170
PNG
(1-benzyl-3-(2-(methyl(2-(pyridin-2-yl)ethyl)amino)...)
Show SMILES CN(CCc1ccccn1)CCn1c(=O)c2CN(Cc3sc4ccccc4c3C)CCc2n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C34H37N5O2S/c1-25-28-13-6-7-14-31(28)42-32(25)24-37-19-16-30-29(23-37)33(40)38(34(41)39(30)22-26-10-4-3-5-11-26)21-20-36(2)18-15-27-12-8-9-17-35-27/h3-14,17H,15-16,18-24H2,1-2H3
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305n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50215207
PNG
(1-(cyclohexylmethyl)-3-(2-(methyl(2-(pyridin-2-yl)...)
Show SMILES CN(CCc1ccccn1)CCn1c(=O)c2CN(Cc3sc4ccccc4c3C)CCc2n(CC2CCCCC2)c1=O
Show InChI InChI=1S/C34H43N5O2S/c1-25-28-13-6-7-14-31(28)42-32(25)24-37-19-16-30-29(23-37)33(40)38(34(41)39(30)22-26-10-4-3-5-11-26)21-20-36(2)18-15-27-12-8-9-17-35-27/h6-9,12-14,17,26H,3-5,10-11,15-16,18-24H2,1-2H3
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380n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50215174
PNG
(6-(2,4-dimethylbenzyl)-1-(2,6-difluorobenzyl)-3-((...)
Show SMILES Cc1ccc(CN2CCc3c(C2)c(=O)n(CC2CCCN(Cc4ccccn4)C2)c(=O)n3Cc2c(F)cccc2F)c(C)c1 |w:16.16|
Show InChI InChI=1S/C35H39F2N5O2/c1-24-11-12-27(25(2)17-24)20-40-16-13-33-30(22-40)34(43)42(35(44)41(33)23-29-31(36)9-5-10-32(29)37)19-26-7-6-15-39(18-26)21-28-8-3-4-14-38-28/h3-5,8-12,14,17,26H,6-7,13,15-16,18-23H2,1-2H3
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490n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50215180
PNG
(6-(2-(1H-indol-3-yl)ethyl)-1-(2,6-difluorobenzyl)-...)
Show SMILES CN(CCc1ccccn1)CCn1c(=O)c2CN(CCc3c[nH]c4ccccc34)CCc2n(Cc2c(F)cccc2F)c1=O
Show InChI InChI=1S/C34H36F2N6O2/c1-39(16-13-25-7-4-5-15-37-25)19-20-41-33(43)28-22-40(17-12-24-21-38-31-11-3-2-8-26(24)31)18-14-32(28)42(34(41)44)23-27-29(35)9-6-10-30(27)36/h2-11,15,21,38H,12-14,16-20,22-23H2,1H3
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515n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50215206
PNG
(6-(2,4-dimethylbenzyl)-1-(2,6-difluorobenzyl)-3-((...)
Show SMILES Cc1ccc(CN2CCc3c(C2)c(=O)n(CC2CCCCN2C2CCCC2)c(=O)n3Cc2c(F)cccc2F)c(C)c1 |w:16.16|
Show InChI InChI=1S/C34H42F2N4O2/c1-23-13-14-25(24(2)18-23)19-37-17-15-32-29(21-37)33(41)40(20-27-10-5-6-16-38(27)26-8-3-4-9-26)34(42)39(32)22-28-30(35)11-7-12-31(28)36/h7,11-14,18,26-27H,3-6,8-10,15-17,19-22H2,1-2H3
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520n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50215192
PNG
(1-(2,6-difluoro-benzyl)-7-[4-imidazol-1-yl-benzyl]...)
Show SMILES COc1cccc(c1)-n1c(=O)c2CCN(Cc3ccc(cc3)-n3ccnc3)Cc2n(Cc2c(F)cccc2F)c1=O
Show InChI InChI=1S/C31H27F2N5O3/c1-41-24-5-2-4-23(16-24)38-30(39)25-12-14-35(17-21-8-10-22(11-9-21)36-15-13-34-20-36)19-29(25)37(31(38)40)18-26-27(32)6-3-7-28(26)33/h2-11,13,15-16,20H,12,14,17-19H2,1H3
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540n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50215219
PNG
(6-(2,4-dimethylbenzyl)-1-(2,6-difluorobenzyl)-3-((...)
Show SMILES Cc1ccc(CN2CCc3c(C2)c(=O)n(CC2CCCN(CCc4ccccn4)C2)c(=O)n3Cc2c(F)cccc2F)c(C)c1 |w:16.16|
Show InChI InChI=1S/C36H41F2N5O2/c1-25-11-12-28(26(2)19-25)22-41-18-14-34-31(23-41)35(44)43(36(45)42(34)24-30-32(37)9-5-10-33(30)38)21-27-7-6-16-40(20-27)17-13-29-8-3-4-15-39-29/h3-5,8-12,15,19,27H,6-7,13-14,16-18,20-24H2,1-2H3
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600n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50215182
PNG
(1-(2,6-difluorobenzyl)-6-(4-(methylsulfonyl)benzyl...)
Show SMILES CN(CCc1ccccn1)CCn1c(=O)c2CN(Cc3ccc(cc3)S(C)(=O)=O)CCc2n(Cc2c(F)cccc2F)c1=O
Show InChI InChI=1S/C32H35F2N5O4S/c1-36(16-13-24-6-3-4-15-35-24)18-19-38-31(40)27-21-37(20-23-9-11-25(12-10-23)44(2,42)43)17-14-30(27)39(32(38)41)22-26-28(33)7-5-8-29(26)34/h3-12,15H,13-14,16-22H2,1-2H3
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805n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50215210
PNG
(1-(2,6-difluorobenzyl)-6-(3-chlorobenzyl)-3-(2-(me...)
Show SMILES CN(CCc1ccccn1)CCn1c(=O)c2CN(Cc3cccc(Cl)c3)CCc2n(Cc2c(F)cccc2F)c1=O
Show InChI InChI=1S/C31H32ClF2N5O2/c1-36(14-11-24-8-2-3-13-35-24)16-17-38-30(40)26-20-37(19-22-6-4-7-23(32)18-22)15-12-29(26)39(31(38)41)21-25-27(33)9-5-10-28(25)34/h2-10,13,18H,11-12,14-17,19-21H2,1H3
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850n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50215195
PNG
(6-(2,4-dimethylbenzyl)-1-(2,6-difluorobenzyl)-3-((...)
Show SMILES Cc1ccc(CN2CCc3c(C2)c(=O)n(CC2CCCCN2Cc2ccccc2)c(=O)n3Cc2c(F)cccc2F)c(C)c1 |w:16.16|
Show InChI InChI=1S/C36H40F2N4O2/c1-25-14-15-28(26(2)19-25)21-39-18-16-34-31(23-39)35(43)42(36(44)41(34)24-30-32(37)12-8-13-33(30)38)22-29-11-6-7-17-40(29)20-27-9-4-3-5-10-27/h3-5,8-10,12-15,19,29H,6-7,11,16-18,20-24H2,1-2H3
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945n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50215198
PNG
(1-(2,6-difluoro-benzyl)-3-(3-methoxy-phenyl)-5,6,7...)
Show SMILES COc1cccc(c1)-n1c(=O)c2CCNCc2n(Cc2c(F)cccc2F)c1=O
Show InChI InChI=1S/C21H19F2N3O3/c1-29-14-5-2-4-13(10-14)26-20(27)15-8-9-24-11-19(15)25(21(26)28)12-16-17(22)6-3-7-18(16)23/h2-7,10,24H,8-9,11-12H2,1H3
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970n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50215194
PNG
(1-(2,6-difluoro-benzyl)-7-(2-methoxy-benzyl)-3-(3-...)
Show SMILES COc1cccc(c1)-n1c(=O)c2CCN(Cc3ccccc3OC)Cc2n(Cc2c(F)cccc2F)c1=O
Show InChI InChI=1S/C29H27F2N3O4/c1-37-21-9-5-8-20(15-21)34-28(35)22-13-14-32(16-19-7-3-4-12-27(19)38-2)18-26(22)33(29(34)36)17-23-24(30)10-6-11-25(23)31/h3-12,15H,13-14,16-18H2,1-2H3
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980n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50215197
PNG
(6-benzyl-1-(2,6-difluoro-benzyl)-3-{2-[methyl-(2-p...)
Show SMILES CN(CCc1ccccn1)CCn1c(=O)c2CN(Cc3ccccc3)CCc2n(Cc2c(F)cccc2F)c1=O
Show InChI InChI=1S/C31H33F2N5O2/c1-35(16-13-24-10-5-6-15-34-24)18-19-37-30(39)26-21-36(20-23-8-3-2-4-9-23)17-14-29(26)38(31(37)40)22-25-27(32)11-7-12-28(25)33/h2-12,15H,13-14,16-22H2,1H3
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990n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50215178
PNG
(7-benzyl-1-(2,6-difluoro-benzyl)-3-(3-methoxy-phen...)
Show SMILES COc1cccc(c1)-n1c(=O)c2CCN(Cc3ccccc3)Cc2n(Cc2c(F)cccc2F)c1=O
Show InChI InChI=1S/C28H25F2N3O3/c1-36-21-10-5-9-20(15-21)33-27(34)22-13-14-31(16-19-7-3-2-4-8-19)18-26(22)32(28(33)35)17-23-24(29)11-6-12-25(23)30/h2-12,15H,13-14,16-18H2,1H3
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1.29E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50215215
PNG
(1-(2,6-difluorobenzyl)-6-(4-chlorobenzyl)-3-(((R)-...)
Show SMILES Fc1cccc(F)c1Cn1c2CCN(Cc3ccc(Cl)cc3)Cc2c(=O)n(C[C@@H]2CCCN(C[C@@H]3CCCN3Cc3ccccn3)C2)c1=O
Show InChI InChI=1S/C38H43ClF2N6O2/c39-29-13-11-27(12-14-29)20-44-19-15-36-33(25-44)37(48)47(38(49)46(36)26-32-34(40)9-3-10-35(32)41)22-28-6-4-17-43(21-28)24-31-8-5-18-45(31)23-30-7-1-2-16-42-30/h1-3,7,9-14,16,28,31H,4-6,8,15,17-26H2/t28-,31+/m1/s1
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1.37E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50215189
PNG
((R)-1-(2,6-difluorobenzyl)-6-(4-chlorobenzyl)-3-((...)
Show SMILES Fc1cccc(F)c1Cn1c2CCN(Cc3ccc(Cl)cc3)Cc2c(=O)n(C[C@H]2CCCN2C2CCCC2)c1=O
Show InChI InChI=1S/C31H35ClF2N4O2/c32-22-12-10-21(11-13-22)17-35-16-14-29-26(19-35)30(39)38(18-24-7-4-15-36(24)23-5-1-2-6-23)31(40)37(29)20-25-27(33)8-3-9-28(25)34/h3,8-13,23-24H,1-2,4-7,14-20H2/t24-/m1/s1
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1.37E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50215171
PNG
(1-(2,6-difluorobenzyl)-6-(4-ethylbenzyl)-3-(2-(dim...)
Show SMILES CCc1ccc(CN2CCc3c(C2)c(=O)n(CCN(C)C)c(=O)n3Cc2c(F)cccc2F)cc1
Show InChI InChI=1S/C27H32F2N4O2/c1-4-19-8-10-20(11-9-19)16-31-13-12-25-22(17-31)26(34)32(15-14-30(2)3)27(35)33(25)18-21-23(28)6-5-7-24(21)29/h5-11H,4,12-18H2,1-3H3
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1.40E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50215172
PNG
(1-(2,6-difluoro-benzyl)-7-[pyridin-4-yl-methyl]-3-...)
Show SMILES COc1cccc(c1)-n1c(=O)c2CCN(Cc3ccncc3)Cc2n(Cc2c(F)cccc2F)c1=O
Show InChI InChI=1S/C27H24F2N4O3/c1-36-20-5-2-4-19(14-20)33-26(34)21-10-13-31(15-18-8-11-30-12-9-18)17-25(21)32(27(33)35)16-22-23(28)6-3-7-24(22)29/h2-9,11-12,14H,10,13,15-17H2,1H3
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1.58E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50215212
PNG
(6-(2,4-dimethylbenzyl)-1-(2,6-difluorobenzyl)-3-((...)
Show SMILES CN1CCCCC1Cn1c(=O)c2CN(Cc3ccc(C)cc3C)CCc2n(Cc2c(F)cccc2F)c1=O |w:6.7|
Show InChI InChI=1S/C30H36F2N4O2/c1-20-10-11-22(21(2)15-20)16-34-14-12-28-25(18-34)29(37)36(17-23-7-4-5-13-33(23)3)30(38)35(28)19-24-26(31)8-6-9-27(24)32/h6,8-11,15,23H,4-5,7,12-14,16-19H2,1-3H3
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1.71E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50215200
PNG
(6-(2,4-dimethylbenzyl)-1-(2,6-difluorobenzyl)-3-(2...)
Show SMILES CC(C)CN(C)CCn1c(=O)c2CN(Cc3ccc(C)cc3C)CCc2n(Cc2c(F)cccc2F)c1=O
Show InChI InChI=1S/C30H38F2N4O2/c1-20(2)16-33(5)13-14-35-29(37)25-18-34(17-23-10-9-21(3)15-22(23)4)12-11-28(25)36(30(35)38)19-24-26(31)7-6-8-27(24)32/h6-10,15,20H,11-14,16-19H2,1-5H3
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1.80E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50215220
PNG
(1-(2,6-difluoro-benzyl)-7-[2-(1H-indol-3-yl)-ethyl...)
Show SMILES COc1cccc(c1)-n1c(=O)c2CCN(CCc3c[nH]c4ccccc34)Cc2n(Cc2c(F)cccc2F)c1=O
Show InChI InChI=1S/C31H28F2N4O3/c1-40-22-7-4-6-21(16-22)37-30(38)24-13-15-35(14-12-20-17-34-28-11-3-2-8-23(20)28)19-29(24)36(31(37)39)18-25-26(32)9-5-10-27(25)33/h2-11,16-17,34H,12-15,18-19H2,1H3
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2.20E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50215196
PNG
((S)-1-(2,6-difluorobenzyl)-6-(4-chlorobenzyl)-3-((...)
Show SMILES Fc1cccc(F)c1Cn1c2CCN(Cc3ccc(Cl)cc3)Cc2c(=O)n(C[C@@H]2CCCCN2CCc2ccccn2)c1=O
Show InChI InChI=1S/C34H36ClF2N5O2/c35-25-12-10-24(11-13-25)20-39-18-15-32-29(22-39)33(43)42(34(44)41(32)23-28-30(36)8-5-9-31(28)37)21-27-7-2-4-17-40(27)19-14-26-6-1-3-16-38-26/h1,3,5-6,8-13,16,27H,2,4,7,14-15,17-23H2/t27-/m0/s1
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2.41E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50215213
PNG
(6-(2,4-dimethylbenzyl)-1-(2,6-difluorobenzyl)-3-(p...)
Show SMILES Cc1ccc(CN2CCc3c(C2)c(=O)n(CC2CCCNC2)c(=O)n3Cc2c(F)cccc2F)c(C)c1 |w:16.16|
Show InChI InChI=1S/C29H34F2N4O2/c1-19-8-9-22(20(2)13-19)16-33-12-10-27-24(17-33)28(36)35(15-21-5-4-11-32-14-21)29(37)34(27)18-23-25(30)6-3-7-26(23)31/h3,6-9,13,21,32H,4-5,10-12,14-18H2,1-2H3
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2.45E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50215199
PNG
(6-(2,4-dimethylbenzyl)-1-(2,6-difluorobenzyl)-3-((...)
Show SMILES Cc1ccc(CN2CCc3c(C2)c(=O)n(CC2CCCN(C2)C2CCCC2)c(=O)n3Cc2c(F)cccc2F)c(C)c1 |w:16.16|
Show InChI InChI=1S/C34H42F2N4O2/c1-23-12-13-26(24(2)17-23)20-37-16-14-32-29(21-37)33(41)40(19-25-7-6-15-38(18-25)27-8-3-4-9-27)34(42)39(32)22-28-30(35)10-5-11-31(28)36/h5,10-13,17,25,27H,3-4,6-9,14-16,18-22H2,1-2H3
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2.58E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50215202
PNG
(6-(2,4-dimethylbenzyl)-1-(2,6-difluorobenzyl)-3-((...)
Show SMILES CC(C)CN1CCCCC1Cn1c(=O)c2CN(Cc3ccc(C)cc3C)CCc2n(Cc2c(F)cccc2F)c1=O |w:9.10|
Show InChI InChI=1S/C33H42F2N4O2/c1-22(2)17-37-14-6-5-8-26(37)19-39-32(40)28-20-36(18-25-12-11-23(3)16-24(25)4)15-13-31(28)38(33(39)41)21-27-29(34)9-7-10-30(27)35/h7,9-12,16,22,26H,5-6,8,13-15,17-21H2,1-4H3
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2.59E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50215205
PNG
(6-(3-methyl-benzo[b]thiophen-2-ylmethyl)-3-{2-[met...)
Show SMILES CN(CCc1ccccn1)CCn1c(=O)[nH]c2CCN(Cc3sc4ccccc4c3C)Cc2c1=O
Show InChI InChI=1S/C27H31N5O2S/c1-19-21-8-3-4-9-24(21)35-25(19)18-31-14-11-23-22(17-31)26(33)32(27(34)29-23)16-15-30(2)13-10-20-7-5-6-12-28-20/h3-9,12H,10-11,13-18H2,1-2H3,(H,29,34)
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>1.00E+4n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50215176
PNG
(1-(2,6-difluoro-benzyl)-7-[4-methylbenzyl]-3-(3-me...)
Show SMILES COc1cccc(c1)-n1c(=O)c2CCN(Cc3ccc(C)cc3)Cc2n(Cc2c(F)cccc2F)c1=O
Show InChI InChI=1S/C29H27F2N3O3/c1-19-9-11-20(12-10-19)16-32-14-13-23-27(18-32)33(17-24-25(30)7-4-8-26(24)31)29(36)34(28(23)35)21-5-3-6-22(15-21)37-2/h3-12,15H,13-14,16-18H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I-His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells


Bioorg Med Chem 15: 5590-603 (2007)


Article DOI: 10.1016/j.bmc.2007.05.029
BindingDB Entry DOI: 10.7270/Q2VH5NJG
More data for this
Ligand-Target Pair
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