Found 355 hits Enz. Inhib. hit(s) with all data for entry = 50017343 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50122654
(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) | PDB
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| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR H182A |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50122654
(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) | PDB
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| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR N305A |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50122654
(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) | PDB
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| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR L117A |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50122654
(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) | PDB
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| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR E111A |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50180788
(CHEMBL265775 | pGlu-His-Trp-Ser-Tyr-Gly-Leu-Arg-Pr...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(O)=O |wU:60.65,36.50,20.28,8.17,4.4,84.90,wD:50.61,30.34,70.74,(19.39,.66,;19.39,-.89,;20.72,-1.65,;18.05,-1.65,;18.05,-3.2,;16.72,-3.97,;15.39,-3.2,;15.39,-1.66,;14.05,-3.97,;14.05,-5.51,;15.39,-6.28,;16.72,-5.5,;18.06,-6.27,;18.06,-7.81,;19.39,-8.58,;16.73,-8.58,;15.4,-7.82,;12.73,-3.2,;11.39,-3.97,;11.39,-5.51,;10.07,-3.21,;10.07,-1.66,;11.39,-.9,;12.8,-1.52,;13.82,-.37,;13.06,.96,;11.55,.64,;8.74,-3.98,;7.4,-3.21,;7.4,-1.67,;6.07,-3.98,;6.07,-5.52,;7.4,-6.29,;4.73,-3.21,;3.4,-3.98,;3.4,-5.52,;2.06,-3.21,;2.06,-1.67,;3.4,-.9,;4.8,-1.53,;5.84,-.38,;5.05,.95,;5.54,2.42,;4.5,3.56,;2.99,3.24,;2.53,1.77,;3.55,.63,;.73,-3.99,;-.59,-3.22,;-.59,-1.68,;-1.94,-3.99,;-1.94,-5.53,;-.59,-6.3,;.81,-5.67,;1.84,-6.81,;1.07,-8.14,;-.43,-7.83,;-3.26,-3.22,;-4.6,-3.99,;-4.6,-5.53,;-5.93,-3.22,;-7.26,-3.99,;-5.93,-1.69,;-4.59,-.92,;-4.59,.62,;-5.94,1.4,;-3.27,1.39,;19.39,-3.97,;19.39,-5.5,;20.72,-3.19,;22.05,-3.96,;22.05,-5.49,;23.39,-6.27,;23.39,-7.8,;24.73,-8.57,;24.73,-10.11,;23.39,-10.88,;26.06,-10.88,;23.39,-3.19,;24.72,-3.95,;23.39,-1.64,;22.11,-.56,;22.74,1,;24.41,.88,;24.53,-.67,;25.95,-1.26,;26.16,-2.79,;27.23,-.4,;28.61,-1.07,;29.88,-.21,;31.27,-.89,;29.78,1.32,)| Show InChI InChI=1S/C59H80N18O15/c1-31(2)19-41(51(85)70-40(9-5-17-65-59(61)62)58(92)77-18-6-10-47(77)57(91)67-27-49(82)83)72-52(86)42(20-32-11-13-36(79)14-12-32)73-55(89)45(23-35-26-64-30-69-35)75-56(90)46(28-78)76-53(87)43(21-33-24-66-39-8-4-3-7-37(33)39)74-54(88)44(22-34-25-63-29-68-34)71-50(84)38(60)15-16-48(80)81/h3-4,7-8,11-14,24-26,29-31,38,40-47,66,78-79H,5-6,9-10,15-23,27-28,60H2,1-2H3,(H,63,68)(H,64,69)(H,67,91)(H,70,85)(H,71,84)(H,72,86)(H,73,89)(H,74,88)(H,75,90)(H,76,87)(H,80,81)(H,82,83)(H4,61,62,65)/t38-,40-,41-,42+,43-,44-,45-,46-,47-/m0/s1 | PDB
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Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR Y284F |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50122654
(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) | PDB
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Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR Y283F |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50122654
(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) | PDB
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Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR S203E |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50122654
(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) | PDB
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Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR S203K |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50122654
(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) | PDB
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Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR Y290L |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50122654
(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) | PDB
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Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR Q189P |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50162007
((R)-1-(2,6-difluorobenzyl)-3-(2-amino-2-phenylethy...)Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O |r,wD:26.28,(6.65,3.5,;5.31,2.74,;3.98,3.51,;3.98,5.05,;2.64,5.83,;1.31,5.06,;1.31,3.52,;2.64,2.75,;2.64,1.21,;-.02,2.76,;-.02,1.22,;1.3,.46,;-1.35,.46,;-1.35,-1.08,;-.01,-1.85,;1.31,-1.08,;2.64,-.3,;2.64,-1.85,;2.65,-3.39,;1.31,-4.16,;-.02,-3.39,;-1.36,-4.16,;-2.68,1.22,;-4.01,.45,;-2.68,2.76,;-4.01,3.53,;-5.34,2.75,;-5.34,1.21,;-6.68,3.52,;-6.68,5.06,;-8.02,5.83,;-9.36,5.04,;-9.35,3.51,;-8.01,2.75,;-1.35,3.54,;-1.35,5.08,)| Show InChI InChI=1S/C27H24F3N3O3/c1-16-24(18-10-6-13-23(36-2)25(18)30)26(34)33(15-22(31)17-8-4-3-5-9-17)27(35)32(16)14-19-20(28)11-7-12-21(19)29/h3-13,22H,14-15,31H2,1-2H3/t22-/m0/s1 | PDB
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Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR H182A |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50122654
(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) | PDB
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Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR S186D |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50122654
(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) | PDB
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Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR H182E |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50122654
(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) | PDB
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Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR K191E |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50122654
(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) | PDB
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Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR S203Q |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50122654
(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) | PDB
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Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR E295A |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50122654
(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) | PDB
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Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR E295K |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50122654
(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) | PDB
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Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR Q189E |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50122654
(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) | PDB
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Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR A50T |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50122654
(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) | PDB
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Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR E295Q |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50122654
(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) | PDB
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Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR L112A |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50122654
(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) | PDB
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Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR L112F |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50122654
(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) | PDB
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| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR E111Q |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50122654
(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) | PDB
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Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR S168A |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50162007
((R)-1-(2,6-difluorobenzyl)-3-(2-amino-2-phenylethy...)Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O |r,wD:26.28,(6.65,3.5,;5.31,2.74,;3.98,3.51,;3.98,5.05,;2.64,5.83,;1.31,5.06,;1.31,3.52,;2.64,2.75,;2.64,1.21,;-.02,2.76,;-.02,1.22,;1.3,.46,;-1.35,.46,;-1.35,-1.08,;-.01,-1.85,;1.31,-1.08,;2.64,-.3,;2.64,-1.85,;2.65,-3.39,;1.31,-4.16,;-.02,-3.39,;-1.36,-4.16,;-2.68,1.22,;-4.01,.45,;-2.68,2.76,;-4.01,3.53,;-5.34,2.75,;-5.34,1.21,;-6.68,3.52,;-6.68,5.06,;-8.02,5.83,;-9.36,5.04,;-9.35,3.51,;-8.01,2.75,;-1.35,3.54,;-1.35,5.08,)| Show InChI InChI=1S/C27H24F3N3O3/c1-16-24(18-10-6-13-23(36-2)25(18)30)26(34)33(15-22(31)17-8-4-3-5-9-17)27(35)32(16)14-19-20(28)11-7-12-21(19)29/h3-13,22H,14-15,31H2,1-2H3/t22-/m0/s1 | PDB
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| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR H182E |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50122654
(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) | PDB
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Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR S118A |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50180788
(CHEMBL265775 | pGlu-His-Trp-Ser-Tyr-Gly-Leu-Arg-Pr...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(O)=O |wU:60.65,36.50,20.28,8.17,4.4,84.90,wD:50.61,30.34,70.74,(19.39,.66,;19.39,-.89,;20.72,-1.65,;18.05,-1.65,;18.05,-3.2,;16.72,-3.97,;15.39,-3.2,;15.39,-1.66,;14.05,-3.97,;14.05,-5.51,;15.39,-6.28,;16.72,-5.5,;18.06,-6.27,;18.06,-7.81,;19.39,-8.58,;16.73,-8.58,;15.4,-7.82,;12.73,-3.2,;11.39,-3.97,;11.39,-5.51,;10.07,-3.21,;10.07,-1.66,;11.39,-.9,;12.8,-1.52,;13.82,-.37,;13.06,.96,;11.55,.64,;8.74,-3.98,;7.4,-3.21,;7.4,-1.67,;6.07,-3.98,;6.07,-5.52,;7.4,-6.29,;4.73,-3.21,;3.4,-3.98,;3.4,-5.52,;2.06,-3.21,;2.06,-1.67,;3.4,-.9,;4.8,-1.53,;5.84,-.38,;5.05,.95,;5.54,2.42,;4.5,3.56,;2.99,3.24,;2.53,1.77,;3.55,.63,;.73,-3.99,;-.59,-3.22,;-.59,-1.68,;-1.94,-3.99,;-1.94,-5.53,;-.59,-6.3,;.81,-5.67,;1.84,-6.81,;1.07,-8.14,;-.43,-7.83,;-3.26,-3.22,;-4.6,-3.99,;-4.6,-5.53,;-5.93,-3.22,;-7.26,-3.99,;-5.93,-1.69,;-4.59,-.92,;-4.59,.62,;-5.94,1.4,;-3.27,1.39,;19.39,-3.97,;19.39,-5.5,;20.72,-3.19,;22.05,-3.96,;22.05,-5.49,;23.39,-6.27,;23.39,-7.8,;24.73,-8.57,;24.73,-10.11,;23.39,-10.88,;26.06,-10.88,;23.39,-3.19,;24.72,-3.95,;23.39,-1.64,;22.11,-.56,;22.74,1,;24.41,.88,;24.53,-.67,;25.95,-1.26,;26.16,-2.79,;27.23,-.4,;28.61,-1.07,;29.88,-.21,;31.27,-.89,;29.78,1.32,)| Show InChI InChI=1S/C59H80N18O15/c1-31(2)19-41(51(85)70-40(9-5-17-65-59(61)62)58(92)77-18-6-10-47(77)57(91)67-27-49(82)83)72-52(86)42(20-32-11-13-36(79)14-12-32)73-55(89)45(23-35-26-64-30-69-35)75-56(90)46(28-78)76-53(87)43(21-33-24-66-39-8-4-3-7-37(33)39)74-54(88)44(22-34-25-63-29-68-34)71-50(84)38(60)15-16-48(80)81/h3-4,7-8,11-14,24-26,29-31,38,40-47,66,78-79H,5-6,9-10,15-23,27-28,60H2,1-2H3,(H,63,68)(H,64,69)(H,67,91)(H,70,85)(H,71,84)(H,72,86)(H,73,89)(H,74,88)(H,75,90)(H,76,87)(H,80,81)(H,82,83)(H4,61,62,65)/t38-,40-,41-,42+,43-,44-,45-,46-,47-/m0/s1 | PDB
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| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR N315A |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50122654
(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) | PDB
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| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR Y290F |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50122654
(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) | PDB
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| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR D293A |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50122654
(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) | PDB
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| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR T51A |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50122654
(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) | PDB
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| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR Q189K |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50122654
(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) | PDB
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| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR N27A |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50122654
(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) | PDB
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| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR Q189A |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50162007
((R)-1-(2,6-difluorobenzyl)-3-(2-amino-2-phenylethy...)Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O |r,wD:26.28,(6.65,3.5,;5.31,2.74,;3.98,3.51,;3.98,5.05,;2.64,5.83,;1.31,5.06,;1.31,3.52,;2.64,2.75,;2.64,1.21,;-.02,2.76,;-.02,1.22,;1.3,.46,;-1.35,.46,;-1.35,-1.08,;-.01,-1.85,;1.31,-1.08,;2.64,-.3,;2.64,-1.85,;2.65,-3.39,;1.31,-4.16,;-.02,-3.39,;-1.36,-4.16,;-2.68,1.22,;-4.01,.45,;-2.68,2.76,;-4.01,3.53,;-5.34,2.75,;-5.34,1.21,;-6.68,3.52,;-6.68,5.06,;-8.02,5.83,;-9.36,5.04,;-9.35,3.51,;-8.01,2.75,;-1.35,3.54,;-1.35,5.08,)| Show InChI InChI=1S/C27H24F3N3O3/c1-16-24(18-10-6-13-23(36-2)25(18)30)26(34)33(15-22(31)17-8-4-3-5-9-17)27(35)32(16)14-19-20(28)11-7-12-21(19)29/h3-13,22H,14-15,31H2,1-2H3/t22-/m0/s1 | PDB
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Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR E111K |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50122654
(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) | PDB
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| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR N315D |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50122654
(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) | PDB
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| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR E111K |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50180786
(CHEMBL436874 | pGlu-His-Trp-Ser-His-D-Tyr-Leu-Arg-...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(O)=O |wU:54.58,30.43,12.21,4.4,wD:44.54,24.27,64.67,78.83,(20.78,-2.99,;20.78,-4.53,;22.11,-5.3,;19.45,-5.3,;19.45,-6.85,;18.11,-7.62,;16.78,-6.85,;16.78,-5.31,;15.44,-7.63,;14.11,-6.85,;12.78,-7.62,;12.78,-9.17,;11.45,-6.86,;11.45,-5.31,;12.78,-4.54,;14.1,-5.31,;15.44,-4.54,;15.43,-3,;16.77,-2.23,;14.1,-2.23,;12.77,-3,;10.11,-7.63,;8.77,-6.86,;8.77,-5.31,;7.44,-7.63,;7.44,-9.17,;8.77,-9.94,;6.12,-6.86,;4.77,-7.63,;4.77,-9.17,;3.44,-6.86,;3.44,-5.32,;4.77,-4.55,;6.17,-5.17,;7.2,-4.03,;6.43,-2.7,;6.91,-1.24,;5.87,-.1,;4.37,-.41,;3.9,-1.88,;4.94,-3.02,;2.11,-7.64,;.77,-6.87,;.77,-5.32,;-.56,-7.64,;-.56,-9.18,;.78,-9.95,;2.18,-9.32,;3.22,-10.46,;2.44,-11.79,;.95,-11.47,;-1.89,-6.87,;-3.23,-7.64,;-3.23,-9.18,;-4.57,-6.87,;-5.9,-7.64,;-4.57,-5.33,;-3.24,-4.57,;-3.24,-3.02,;-4.57,-2.25,;-1.89,-2.25,;20.78,-7.61,;20.78,-9.15,;22.12,-6.84,;23.44,-7.61,;23.44,-9.14,;22.12,-9.92,;22.12,-11.46,;20.79,-12.23,;19.46,-11.46,;19.46,-9.92,;18.12,-12.23,;24.78,-6.84,;24.78,-5.3,;26.12,-7.6,;26.43,-9.25,;28.08,-9.48,;28.81,-7.98,;27.53,-7.1,;27.73,-5.57,;26.5,-4.64,;29.15,-4.98,;30.38,-5.91,;31.8,-5.32,;33.03,-6.25,;32,-3.79,)| Show InChI InChI=1S/C55H76N16O15/c1-29(2)19-38(49(81)66-37(9-5-17-60-55(57)58)54(86)71-18-6-10-43(71)53(85)63-26-46(77)78)65-44(74)25-62-48(80)39(20-30-11-13-33(73)14-12-30)68-52(84)42(27-72)70-50(82)40(21-31-23-61-36-8-4-3-7-34(31)36)69-51(83)41(22-32-24-59-28-64-32)67-47(79)35(56)15-16-45(75)76/h3-4,7-8,11-14,23-24,28-29,35,37-43,61,72-73H,5-6,9-10,15-22,25-27,56H2,1-2H3,(H,59,64)(H,62,80)(H,63,85)(H,65,74)(H,66,81)(H,67,79)(H,68,84)(H,69,83)(H,70,82)(H,75,76)(H,77,78)(H4,57,58,60)/t35-,37-,38-,39-,40-,41-,42-,43-/m0/s1 | PDB
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PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR N315A |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50162007
((R)-1-(2,6-difluorobenzyl)-3-(2-amino-2-phenylethy...)Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O |r,wD:26.28,(6.65,3.5,;5.31,2.74,;3.98,3.51,;3.98,5.05,;2.64,5.83,;1.31,5.06,;1.31,3.52,;2.64,2.75,;2.64,1.21,;-.02,2.76,;-.02,1.22,;1.3,.46,;-1.35,.46,;-1.35,-1.08,;-.01,-1.85,;1.31,-1.08,;2.64,-.3,;2.64,-1.85,;2.65,-3.39,;1.31,-4.16,;-.02,-3.39,;-1.36,-4.16,;-2.68,1.22,;-4.01,.45,;-2.68,2.76,;-4.01,3.53,;-5.34,2.75,;-5.34,1.21,;-6.68,3.52,;-6.68,5.06,;-8.02,5.83,;-9.36,5.04,;-9.35,3.51,;-8.01,2.75,;-1.35,3.54,;-1.35,5.08,)| Show InChI InChI=1S/C27H24F3N3O3/c1-16-24(18-10-6-13-23(36-2)25(18)30)26(34)33(15-22(31)17-8-4-3-5-9-17)27(35)32(16)14-19-20(28)11-7-12-21(19)29/h3-13,22H,14-15,31H2,1-2H3/t22-/m0/s1 | PDB
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PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR E111A |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50122654
(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) | PDB
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PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR S186K |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50122654
(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) | PDB
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PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR F272L |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50122654
(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) | PDB
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PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR D293N |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50122654
(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) | PDB
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PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR S168I |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50122654
(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) | PDB
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PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR T190K |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50122654
(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) | PDB
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PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR W291F |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50122654
(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) | PDB
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PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR S124A |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50162007
((R)-1-(2,6-difluorobenzyl)-3-(2-amino-2-phenylethy...)Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O |r,wD:26.28,(6.65,3.5,;5.31,2.74,;3.98,3.51,;3.98,5.05,;2.64,5.83,;1.31,5.06,;1.31,3.52,;2.64,2.75,;2.64,1.21,;-.02,2.76,;-.02,1.22,;1.3,.46,;-1.35,.46,;-1.35,-1.08,;-.01,-1.85,;1.31,-1.08,;2.64,-.3,;2.64,-1.85,;2.65,-3.39,;1.31,-4.16,;-.02,-3.39,;-1.36,-4.16,;-2.68,1.22,;-4.01,.45,;-2.68,2.76,;-4.01,3.53,;-5.34,2.75,;-5.34,1.21,;-6.68,3.52,;-6.68,5.06,;-8.02,5.83,;-9.36,5.04,;-9.35,3.51,;-8.01,2.75,;-1.35,3.54,;-1.35,5.08,)| Show InChI InChI=1S/C27H24F3N3O3/c1-16-24(18-10-6-13-23(36-2)25(18)30)26(34)33(15-22(31)17-8-4-3-5-9-17)27(35)32(16)14-19-20(28)11-7-12-21(19)29/h3-13,22H,14-15,31H2,1-2H3/t22-/m0/s1 | PDB
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PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from human wild type GnRHR |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50122654
(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) | PDB
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PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR Y284F |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50180788
(CHEMBL265775 | pGlu-His-Trp-Ser-Tyr-Gly-Leu-Arg-Pr...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(O)=O |wU:60.65,36.50,20.28,8.17,4.4,84.90,wD:50.61,30.34,70.74,(19.39,.66,;19.39,-.89,;20.72,-1.65,;18.05,-1.65,;18.05,-3.2,;16.72,-3.97,;15.39,-3.2,;15.39,-1.66,;14.05,-3.97,;14.05,-5.51,;15.39,-6.28,;16.72,-5.5,;18.06,-6.27,;18.06,-7.81,;19.39,-8.58,;16.73,-8.58,;15.4,-7.82,;12.73,-3.2,;11.39,-3.97,;11.39,-5.51,;10.07,-3.21,;10.07,-1.66,;11.39,-.9,;12.8,-1.52,;13.82,-.37,;13.06,.96,;11.55,.64,;8.74,-3.98,;7.4,-3.21,;7.4,-1.67,;6.07,-3.98,;6.07,-5.52,;7.4,-6.29,;4.73,-3.21,;3.4,-3.98,;3.4,-5.52,;2.06,-3.21,;2.06,-1.67,;3.4,-.9,;4.8,-1.53,;5.84,-.38,;5.05,.95,;5.54,2.42,;4.5,3.56,;2.99,3.24,;2.53,1.77,;3.55,.63,;.73,-3.99,;-.59,-3.22,;-.59,-1.68,;-1.94,-3.99,;-1.94,-5.53,;-.59,-6.3,;.81,-5.67,;1.84,-6.81,;1.07,-8.14,;-.43,-7.83,;-3.26,-3.22,;-4.6,-3.99,;-4.6,-5.53,;-5.93,-3.22,;-7.26,-3.99,;-5.93,-1.69,;-4.59,-.92,;-4.59,.62,;-5.94,1.4,;-3.27,1.39,;19.39,-3.97,;19.39,-5.5,;20.72,-3.19,;22.05,-3.96,;22.05,-5.49,;23.39,-6.27,;23.39,-7.8,;24.73,-8.57,;24.73,-10.11,;23.39,-10.88,;26.06,-10.88,;23.39,-3.19,;24.72,-3.95,;23.39,-1.64,;22.11,-.56,;22.74,1,;24.41,.88,;24.53,-.67,;25.95,-1.26,;26.16,-2.79,;27.23,-.4,;28.61,-1.07,;29.88,-.21,;31.27,-.89,;29.78,1.32,)| Show InChI InChI=1S/C59H80N18O15/c1-31(2)19-41(51(85)70-40(9-5-17-65-59(61)62)58(92)77-18-6-10-47(77)57(91)67-27-49(82)83)72-52(86)42(20-32-11-13-36(79)14-12-32)73-55(89)45(23-35-26-64-30-69-35)75-56(90)46(28-78)76-53(87)43(21-33-24-66-39-8-4-3-7-37(33)39)74-54(88)44(22-34-25-63-29-68-34)71-50(84)38(60)15-16-48(80)81/h3-4,7-8,11-14,24-26,29-31,38,40-47,66,78-79H,5-6,9-10,15-23,27-28,60H2,1-2H3,(H,63,68)(H,64,69)(H,67,91)(H,70,85)(H,71,84)(H,72,86)(H,73,89)(H,74,88)(H,75,90)(H,76,87)(H,80,81)(H,82,83)(H4,61,62,65)/t38-,40-,41-,42+,43-,44-,45-,46-,47-/m0/s1 | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR N315D |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50162007
((R)-1-(2,6-difluorobenzyl)-3-(2-amino-2-phenylethy...)Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O |r,wD:26.28,(6.65,3.5,;5.31,2.74,;3.98,3.51,;3.98,5.05,;2.64,5.83,;1.31,5.06,;1.31,3.52,;2.64,2.75,;2.64,1.21,;-.02,2.76,;-.02,1.22,;1.3,.46,;-1.35,.46,;-1.35,-1.08,;-.01,-1.85,;1.31,-1.08,;2.64,-.3,;2.64,-1.85,;2.65,-3.39,;1.31,-4.16,;-.02,-3.39,;-1.36,-4.16,;-2.68,1.22,;-4.01,.45,;-2.68,2.76,;-4.01,3.53,;-5.34,2.75,;-5.34,1.21,;-6.68,3.52,;-6.68,5.06,;-8.02,5.83,;-9.36,5.04,;-9.35,3.51,;-8.01,2.75,;-1.35,3.54,;-1.35,5.08,)| Show InChI InChI=1S/C27H24F3N3O3/c1-16-24(18-10-6-13-23(36-2)25(18)30)26(34)33(15-22(31)17-8-4-3-5-9-17)27(35)32(16)14-19-20(28)11-7-12-21(19)29/h3-13,22H,14-15,31H2,1-2H3/t22-/m0/s1 | PDB
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Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR N305A |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50162007
((R)-1-(2,6-difluorobenzyl)-3-(2-amino-2-phenylethy...)Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O |r,wD:26.28,(6.65,3.5,;5.31,2.74,;3.98,3.51,;3.98,5.05,;2.64,5.83,;1.31,5.06,;1.31,3.52,;2.64,2.75,;2.64,1.21,;-.02,2.76,;-.02,1.22,;1.3,.46,;-1.35,.46,;-1.35,-1.08,;-.01,-1.85,;1.31,-1.08,;2.64,-.3,;2.64,-1.85,;2.65,-3.39,;1.31,-4.16,;-.02,-3.39,;-1.36,-4.16,;-2.68,1.22,;-4.01,.45,;-2.68,2.76,;-4.01,3.53,;-5.34,2.75,;-5.34,1.21,;-6.68,3.52,;-6.68,5.06,;-8.02,5.83,;-9.36,5.04,;-9.35,3.51,;-8.01,2.75,;-1.35,3.54,;-1.35,5.08,)| Show InChI InChI=1S/C27H24F3N3O3/c1-16-24(18-10-6-13-23(36-2)25(18)30)26(34)33(15-22(31)17-8-4-3-5-9-17)27(35)32(16)14-19-20(28)11-7-12-21(19)29/h3-13,22H,14-15,31H2,1-2H3/t22-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR S203K |
J Med Chem 49: 637-47 (2006)
Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS |
More data for this
Ligand-Target Pair | |
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