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Compile Data Set for Download or QSAR

Found 2425 hits Enz. Inhib. hit(s) with Target = 'Gonadotropin releasing hormone 1 (GnRHR1)' AND taxid = 9606   
Target
(Institution)
LigandTarget
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 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50085814
PNG
(CHEMBL405548 | dicyclo(4-10/5,5-8)[Ac-D2Nal-DCpa-D...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]2CCC(=O)NCC(=O)NCC[C@@H](NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CNC(=O)C[C@H](NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc3ccccc3c1)NC(C)=O)C(=O)N2)C(N)=O
Show InChI InChI=1S/C67H87ClN18O14/c1-36(2)27-47-60(94)80-46-22-25-73-56(90)35-76-54(88)21-20-45(59(93)78-44(58(92)81-47)12-7-24-74-67(70)71)79-64(98)51(32-55(89)75-34-52(57(69)91)85-65(99)53-13-8-26-86(53)66(46)100)84-63(97)50(31-40-9-6-23-72-33-40)83-62(96)49(29-38-15-18-43(68)19-16-38)82-61(95)48(77-37(3)87)30-39-14-17-41-10-4-5-11-42(41)28-39/h4-6,9-11,14-19,23,28,33,36,44-53H,7-8,12-13,20-22,24-27,29-32,34-35H2,1-3H3,(H2,69,91)(H,73,90)(H,75,89)(H,76,88)(H,77,87)(H,78,93)(H,79,98)(H,80,94)(H,81,92)(H,82,95)(H,83,96)(H,84,97)(H,85,99)(H4,70,71,74)/t44-,45+,46-,47+,48-,49-,50-,51+,52+,53+/m1/s1
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0.140n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Gonadotropin-releasing hormone receptor


J Med Chem 43: 819-28 (2000)

More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50261242
PNG
((R)-1-(2-fluoro-6-(methylsulfonyl)benzyl)-3-(2-ami...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2S(C)(=O)=O)c(=O)n(C[C@H](N)c2ccccc2)c1=O
Show InChI InChI=1S/C28H27F2N3O5S/c1-17-25(19-11-7-13-23(38-2)26(19)30)27(34)33(16-22(31)18-9-5-4-6-10-18)28(35)32(17)15-20-21(29)12-8-14-24(20)39(3,36)37/h4-14,22H,15-16,31H2,1-3H3/t22-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc

Curated by ChEMBL


Assay Description
Binding affinity at human GnRH receptor


Citation and Details
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50067485
PNG
(3-[(Benzyl-methyl-amino)-methyl]-7-(2,6-difluoro-b...)
Show SMILES CC(C)OC(=O)c1cn(Cc2c(F)cccc2F)c2sc(c(CN(C)Cc3ccccc3)c2c1=O)-c1ccc(NC(=O)C(C)C)cc1
Show InChI InChI=1S/C37H37F2N3O4S/c1-22(2)35(44)40-26-16-14-25(15-17-26)34-28(19-41(5)18-24-10-7-6-8-11-24)32-33(43)29(37(45)46-23(3)4)21-42(36(32)47-34)20-27-30(38)12-9-13-31(27)39/h6-17,21-23H,18-20H2,1-5H3,(H,40,44)
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0.200n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 13: 3617-22 (2003)

More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50122654
PNG
(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Show SMILES CONC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C36H31F2N5O4S/c1-41(20-23-10-5-3-6-11-23)21-28-31-33(44)43(26-12-7-4-8-13-26)36(46)42(22-27-29(37)14-9-15-30(27)38)34(31)48-32(28)24-16-18-25(19-17-24)39-35(45)40-47-2/h3-19H,20-22H2,1-2H3,(H2,39,40,45)
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0.200n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 13: 3617-22 (2003)

More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50085783
PNG
(CHEMBL438897 | Gonadotropin Releasing Hormone anal...)
Show SMILES CC(C)C[C@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCNC(=O)CNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N[C@H](CC(=O)NC[C@@H](NC(=O)[C@H]3CCCN3C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)C(=O)N2
Show InChI InChI=1S/C70H89ClN18O14/c1-37(2)28-50-63(97)82-49(14-8-25-76-70(73)74)69(103)89-27-9-15-56(89)68(102)88-55(60(72)94)35-78-58(92)33-54-67(101)81-48(62(96)85-52(65(99)83-50)31-40-16-19-41-10-4-5-11-42(41)29-40)24-26-75-59(93)36-79-57(91)23-22-47(80-38(3)90)61(95)84-51(30-39-17-20-44(71)21-18-39)64(98)86-53(66(100)87-54)32-43-34-77-46-13-7-6-12-45(43)46/h4-7,10-13,16-21,29,34,37,47-56,77H,8-9,14-15,22-28,30-33,35-36H2,1-3H3,(H2,72,94)(H,75,93)(H,78,92)(H,79,91)(H,80,90)(H,81,101)(H,82,97)(H,83,99)(H,84,95)(H,85,96)(H,86,98)(H,87,100)(H,88,102)(H4,73,74,76)/t47-,48-,49+,50-,51+,52-,53-,54-,55-,56-/m1/s1
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0.240n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Gonadotropin-releasing hormone receptor


J Med Chem 43: 819-28 (2000)

More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50085815
PNG
(CHEMBL269726 | cyclo(4-10)[Ac-3Pro-DFpa-DTrp-c[Asp...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCNC(N)=N)NC1=O)C(N)=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H]1C=CCN1C(C)=O
Show InChI InChI=1S/C73H87FN16O13/c1-40(2)31-53-64(95)81-52(15-8-28-78-73(76)77)72(103)90-30-10-17-61(90)71(102)88-59(63(75)94)39-80-62(93)37-58(69(100)83-54(34-43-21-26-49(92)27-22-43)65(96)84-56(67(98)82-53)35-44-18-23-45-11-4-5-12-46(45)32-44)86-68(99)57(36-47-38-79-51-14-7-6-13-50(47)51)85-66(97)55(33-42-19-24-48(74)25-20-42)87-70(101)60-16-9-29-89(60)41(3)91/h4-7,9,11-14,16,18-27,32,38,40,52-61,79,92H,8,10,15,17,28-31,33-37,39H2,1-3H3,(H2,75,94)(H,80,93)(H,81,95)(H,82,98)(H,83,100)(H,84,96)(H,85,97)(H,86,99)(H,87,101)(H,88,102)(H4,76,77,78)/t52-,53+,54+,55-,56+,57-,58+,59+,60-,61+/m1/s1
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0.270n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Gonadotropin-releasing hormone receptor


J Med Chem 43: 819-28 (2000)

More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50377898
PNG
(CHEMBL256109)
Show SMILES COc1cccc(c1Cl)-c1c(C)n(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](C)NC2CCCC2)c1=O
Show InChI InChI=1S/C28H30ClF4N3O3/c1-16(34-18-8-4-5-9-18)14-36-26(37)24(19-10-6-13-23(39-3)25(19)29)17(2)35(27(36)38)15-20-21(28(31,32)33)11-7-12-22(20)30/h6-7,10-13,16,18,34H,4-5,8-9,14-15H2,1-3H3/t16-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GnRHR


Citation and Details
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50085816
PNG
(CHEMBL441208 | dicyclo(4-10/5-8)[Ac-D2Nal-DCpa-DTr...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCC(=O)NCCCC[C@@H](NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CNC(=O)C[C@H](NC(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc3ccccc3c1)NC(C)=O)C(=O)N2)C(N)=O
Show InChI InChI=1S/C70H90ClN17O13/c1-38(2)30-51-63(95)82-50-16-8-9-27-75-58(90)26-25-49(62(94)80-48(61(93)83-51)17-10-28-76-70(73)74)81-67(99)55(35-59(91)78-37-56(60(72)92)87-68(100)57-18-11-29-88(57)69(50)101)86-66(98)54(34-44-36-77-47-15-7-6-14-46(44)47)85-65(97)53(32-40-20-23-45(71)24-21-40)84-64(96)52(79-39(3)89)33-41-19-22-42-12-4-5-13-43(42)31-41/h4-7,12-15,19-24,31,36,38,48-57,77H,8-11,16-18,25-30,32-35,37H2,1-3H3,(H2,72,92)(H,75,90)(H,78,91)(H,79,89)(H,80,94)(H,81,99)(H,82,95)(H,83,93)(H,84,96)(H,85,97)(H,86,98)(H,87,100)(H4,73,74,76)/t48-,49-,50+,51-,52+,53+,54+,55-,56-,57-/m0/s1
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0.320n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Gonadotropin-releasing hormone receptor


J Med Chem 43: 819-28 (2000)

More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50409919
PNG
(CHEMBL12282)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2[C@@H](C)COC2=O)[C@H](C)[C@@H](OC2O[C@H](C)C[C@@H]([C@H]2O)N(C)CC2CC2)[C@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(F)c(Cl)c3)C(=O)O[C@]12C)OC
Show InChI InChI=1S/C47H69ClFN3O13/c1-12-35-47(9)39(51(43(56)65-47)18-17-30-15-16-33(49)32(48)20-30)27(5)36(53)24(2)21-46(8,59-11)40(64-42-37(54)34(19-26(4)61-42)50(10)22-31-13-14-31)28(6)38(29(7)41(55)62-35)63-45(58)52-25(3)23-60-44(52)57/h15-16,20,24-29,31,34-35,37-40,42,54H,12-14,17-19,21-23H2,1-11H3/t24-,25+,26-,27+,28+,29-,34+,35-,37-,38+,39-,40-,42?,46+,47-/m1/s1
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0.330n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to human luteinizing hormone-releasing hormone (LHRH) receptor cloned in CHO cells


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50377895
PNG
(CHEMBL556355)
Show InChI InChI=1S/C28H30ClF4N3O4.ClH/c1-16-24(19-9-5-12-23(40-2)25(19)29)26(38)36(13-18(15-37)34-17-7-3-4-8-17)27(39)35(16)14-20-21(28(31,32)33)10-6-11-22(20)30;/h5-6,9-12,17-18,34,37H,3-4,7-8,13-15H2,1-2H3;1H/t18-;/m1./s1
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0.360n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GnRHR


Citation and Details
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50122652
PNG
(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C37H33F2N5O3S/c1-3-40-36(46)41-26-19-17-25(18-20-26)33-29(22-42(2)21-24-11-6-4-7-12-24)32-34(45)44(27-13-8-5-9-14-27)37(47)43(35(32)48-33)23-28-30(38)15-10-16-31(28)39/h4-20H,3,21-23H2,1-2H3,(H2,40,41,46)
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0.400n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 13: 3617-22 (2003)

More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50187673
PNG
(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Show SMILES COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(CCC3(C)C)cc2C)o1
Show InChI InChI=1S/C30H39N5O6/c1-19-17-20-9-10-30(2,3)21(20)18-23(19)41-24-8-7-22(40-24)26(36)32-25-27(37-4)33-29(34-28(25)38-5)31-11-6-12-35-13-15-39-16-14-35/h7-8,17-18H,6,9-16H2,1-5H3,(H,32,36)(H,31,33,34)
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0.400n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant GnRH receptor


Citation and Details
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50098391
PNG
((S)-4-(2-(azetidin-2-yl)ethoxy)-7-chloro-2-oxo-N-(...)
Show SMILES Cc1cc(cc(C)c1C)-c1c(OCC[C@@H]2CCN2)c2cc(C(=O)Nc3ccncn3)c(Cl)cc2[nH]c1=O
Show InChI InChI=1S/C28H28ClN5O3/c1-15-10-18(11-16(2)17(15)3)25-26(37-9-6-19-4-8-31-19)21-12-20(22(29)13-23(21)33-28(25)36)27(35)34-24-5-7-30-14-32-24/h5,7,10-14,19,31H,4,6,8-9H2,1-3H3,(H,33,36)(H,30,32,34,35)/t19-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 13: 3617-22 (2003)

More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50166441
PNG
((R)-1-(2-fluoro-6-(trifluoromethyl)benzyl)-3-(2-am...)
Show SMILES COc1cccc(c1Cl)-c1cn(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](N)c2ccccc2)c1=O
Show InChI InChI=1S/C27H22ClF4N3O3/c1-38-23-12-5-9-17(24(23)28)18-13-34(14-19-20(27(30,31)32)10-6-11-21(19)29)26(37)35(25(18)36)15-22(33)16-7-3-2-4-8-16/h2-13,22H,14-15,33H2,1H3/t22-/m0/s1
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0.450n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin-releasing hormone receptor (GNRHR) using GnRH peptide as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50166441
PNG
((R)-1-(2-fluoro-6-(trifluoromethyl)benzyl)-3-(2-am...)
Show SMILES COc1cccc(c1Cl)-c1cn(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](N)c2ccccc2)c1=O
Show InChI InChI=1S/C27H22ClF4N3O3/c1-38-23-12-5-9-17(24(23)28)18-13-34(14-19-20(27(30,31)32)10-6-11-21(19)29)26(37)35(25(18)36)15-22(33)16-7-3-2-4-8-16/h2-13,22H,14-15,33H2,1H3/t22-/m0/s1
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0.450n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc

Curated by ChEMBL


Assay Description
Binding affinity at human GnRH receptor


Citation and Details
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162026
PNG
(1-(2,6-Difluoro-benzyl)-5-(2-fluoro-3-methoxy-phen...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](C)N(C)Cc2ccccn2)c1=O
Show InChI InChI=1S/C29H29F3N4O3/c1-18(34(3)16-20-9-5-6-14-33-20)15-36-28(37)26(21-10-7-13-25(39-4)27(21)32)19(2)35(29(36)38)17-22-23(30)11-8-12-24(22)31/h5-14,18H,15-17H2,1-4H3/t18-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


Citation and Details
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50261243
PNG
((R)-1-(2-fluoro-6-(trifluoromethyl)benzyl)-3-(2-am...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](N)c2ccccc2)c1=O
Show InChI InChI=1S/C28H24F5N3O3/c1-16-24(18-10-6-13-23(39-2)25(18)30)26(37)36(15-22(34)17-8-4-3-5-9-17)27(38)35(16)14-19-20(28(31,32)33)11-7-12-21(19)29/h3-13,22H,14-15,34H2,1-2H3/t22-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc

Curated by ChEMBL


Assay Description
Binding affinity at human GnRH receptor


Citation and Details
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50261243
PNG
((R)-1-(2-fluoro-6-(trifluoromethyl)benzyl)-3-(2-am...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](N)c2ccccc2)c1=O
Show InChI InChI=1S/C28H24F5N3O3/c1-16-24(18-10-6-13-23(39-2)25(18)30)26(37)36(15-22(34)17-8-4-3-5-9-17)27(38)35(16)14-19-20(28(31,32)33)11-7-12-21(19)29/h3-13,22H,14-15,34H2,1-2H3/t22-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-Tyr5,DLeu6,NMeLeu7,Pro9-NEt-]GnRH from human GnRH receptor expressed in HEK293 cells by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162007
PNG
((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
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
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0.560n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc

Curated by ChEMBL


Assay Description
Binding affinity at human GnRH receptor


Citation and Details
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162007
PNG
((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
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
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0.560n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-Tyr5,DLeu6,NMeLeu7,Pro9-NEt-]GnRH from human GnRH receptor expressed in HEK293 cells by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162007
PNG
((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
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
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0.560n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GnRHR


Citation and Details
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162007
PNG
((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
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
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0.560n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


Citation and Details
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162007
PNG
((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
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
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0.560n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin-releasing hormone receptor (GNRHR) using GnRH peptide as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50166450
PNG
((R)-1-(2-fluoro-6-(trifluoromethyl)benzyl)-3-(2-am...)
Show SMILES COc1cccc(c1F)-c1cn(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](N)c2ccccc2)c1=O
Show InChI InChI=1S/C27H22F5N3O3/c1-38-23-12-5-9-17(24(23)29)18-13-34(14-19-20(27(30,31)32)10-6-11-21(19)28)26(37)35(25(18)36)15-22(33)16-7-3-2-4-8-16/h2-13,22H,14-15,33H2,1H3/t22-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]Pro-N-Et-GnRH from human cloned GnRH receptor expressed in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50149255
PNG
(3-((R)-2-Cyclopentyl-2-dimethylamino-ethyl)-1-(2,6...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](C2CCCC2)N(C)C)c1=O
Show InChI InChI=1S/C28H32F3N3O3/c1-17-25(19-11-7-14-24(37-4)26(19)31)27(35)34(16-23(32(2)3)18-9-5-6-10-18)28(36)33(17)15-20-21(29)12-8-13-22(20)30/h7-8,11-14,18,23H,5-6,9-10,15-16H2,1-4H3/t23-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin releasing hormone receptor using des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expresse...


Citation and Details
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50133856
PNG
(1-(2,6-Difluoro-benzyl)-5-{[methyl-(2-pyridin-2-yl...)
Show SMILES CN(CCc1ccccn1)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C34H27F2N5O4S/c1-38(19-17-23-8-5-6-18-37-23)20-27-30-32(42)40(24-9-3-2-4-10-24)34(43)39(21-26-28(35)11-7-12-29(26)36)33(30)46-31(27)22-13-15-25(16-14-22)41(44)45/h2-16,18H,17,19-21H2,1H3
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0.600n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 13: 3617-22 (2003)

More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50377900
PNG
(CHEMBL259906)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](C)NC2CCCC2)c1=O
Show InChI InChI=1S/C28H30F5N3O3/c1-16(34-18-8-4-5-9-18)14-36-26(37)24(19-10-6-13-23(39-3)25(19)30)17(2)35(27(36)38)15-20-21(28(31,32)33)11-7-12-22(20)29/h6-7,10-13,16,18,34H,4-5,8-9,14-15H2,1-3H3/t16-/m0/s1
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0.610n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GnRHR


Citation and Details
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162008
PNG
((R)-1-(2-chloro-6-fluorobenzyl)-3-(2-amino-2-pheny...)
Show SMILES Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1Cl
Show InChI InChI=1S/C26H22ClF2N3O2/c1-16-24(18-10-5-6-12-21(18)28)25(33)32(15-23(30)17-8-3-2-4-9-17)26(34)31(16)14-19-20(27)11-7-13-22(19)29/h2-13,23H,14-15,30H2,1H3/t23-/m0/s1
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0.610n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


Citation and Details
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50166450
PNG
((R)-1-(2-fluoro-6-(trifluoromethyl)benzyl)-3-(2-am...)
Show SMILES COc1cccc(c1F)-c1cn(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](N)c2ccccc2)c1=O
Show InChI InChI=1S/C27H22F5N3O3/c1-38-23-12-5-9-17(24(23)29)18-13-34(14-19-20(27(30,31)32)10-6-11-21(19)28)26(37)35(25(18)36)15-22(33)16-7-3-2-4-8-16/h2-13,22H,14-15,33H2,1H3/t22-/m0/s1
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0.640n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin-releasing hormone receptor (GNRHR) using GnRH peptide as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50166450
PNG
((R)-1-(2-fluoro-6-(trifluoromethyl)benzyl)-3-(2-am...)
Show SMILES COc1cccc(c1F)-c1cn(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](N)c2ccccc2)c1=O
Show InChI InChI=1S/C27H22F5N3O3/c1-38-23-12-5-9-17(24(23)29)18-13-34(14-19-20(27(30,31)32)10-6-11-21(19)28)26(37)35(25(18)36)15-22(33)16-7-3-2-4-8-16/h2-13,22H,14-15,33H2,1H3/t22-/m0/s1
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0.640n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GnRHR


Citation and Details
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50166450
PNG
((R)-1-(2-fluoro-6-(trifluoromethyl)benzyl)-3-(2-am...)
Show SMILES COc1cccc(c1F)-c1cn(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](N)c2ccccc2)c1=O
Show InChI InChI=1S/C27H22F5N3O3/c1-38-23-12-5-9-17(24(23)29)18-13-34(14-19-20(27(30,31)32)10-6-11-21(19)28)26(37)35(25(18)36)15-22(33)16-7-3-2-4-8-16/h2-13,22H,14-15,33H2,1H3/t22-/m0/s1
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0.640n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-Tyr5,DLeu6,NMeLeu7,Pro9-NEt-]GnRH from human GnRH receptor expressed in HEK293 cells by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50166450
PNG
((R)-1-(2-fluoro-6-(trifluoromethyl)benzyl)-3-(2-am...)
Show SMILES COc1cccc(c1F)-c1cn(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](N)c2ccccc2)c1=O
Show InChI InChI=1S/C27H22F5N3O3/c1-38-23-12-5-9-17(24(23)29)18-13-34(14-19-20(27(30,31)32)10-6-11-21(19)28)26(37)35(25(18)36)15-22(33)16-7-3-2-4-8-16/h2-13,22H,14-15,33H2,1H3/t22-/m0/s1
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0.640n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc

Curated by ChEMBL


Assay Description
Binding affinity at human GnRH receptor


Citation and Details
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50144640
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-1-(2-chloro-6-fluor...)
Show SMILES Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1Cl
Show InChI InChI=1S/C26H22ClF2N3O2/c1-16-24(18-10-5-6-12-21(18)28)25(33)32(15-23(30)17-8-3-2-4-9-17)26(34)31(16)14-19-20(27)11-7-13-22(19)29/h2-13,23H,14-15,30H2,1H3/t23-/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin-releasing hormone receptor expressed in HEK293 cells using des-Gly10-[125I]Tyr,5 DLeu,6 NMeLeu,7 Pro9-NEt...


Citation and Details
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50377896
PNG
(CHEMBL403234)
Show SMILES COc1cccc(c1Cl)-c1c(C)n(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](CO)NC2CCCC2)c1=O
Show InChI InChI=1S/C28H30ClF4N3O4/c1-16-24(19-9-5-12-23(40-2)25(19)29)26(38)36(13-18(15-37)34-17-7-3-4-8-17)27(39)35(16)14-20-21(28(31,32)33)10-6-11-22(20)30/h5-6,9-12,17-18,34,37H,3-4,7-8,13-15H2,1-2H3/t18-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GnRHR


Citation and Details
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50375881
PNG
(CHEMBL408746)
Show SMILES CC(CNCCCCc1ccnnc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C37H47N5O/c1-24-18-25(2)20-28(19-24)35-34(26(3)22-38-16-7-6-8-27-15-17-39-40-23-27)32-21-29(9-14-33(32)41-35)37(4,5)36(43)42-30-10-11-31(42)13-12-30/h9,14-15,17-21,23,26,30-31,38,41H,6-8,10-13,16,22H2,1-5H3
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0.700n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of GnRH receptor


Citation and Details
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162008
PNG
((R)-1-(2-chloro-6-fluorobenzyl)-3-(2-amino-2-pheny...)
Show SMILES Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1Cl
Show InChI InChI=1S/C26H22ClF2N3O2/c1-16-24(18-10-5-6-12-21(18)28)25(33)32(15-23(30)17-8-3-2-4-9-17)26(34)31(16)14-19-20(27)11-7-13-22(19)29/h2-13,23H,14-15,30H2,1H3/t23-/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc

Curated by ChEMBL


Assay Description
Binding affinity at human GnRH receptor


Citation and Details
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50122657
PNG
(CHEMBL21126 | N-{4-[5-[(Benzyl-methyl-amino)-methy...)
Show SMILES CCC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C37H32F2N4O3S/c1-3-32(44)40-26-19-17-25(18-20-26)34-29(22-41(2)21-24-11-6-4-7-12-24)33-35(45)43(27-13-8-5-9-14-27)37(46)42(36(33)47-34)23-28-30(38)15-10-16-31(28)39/h4-20H,3,21-23H2,1-2H3,(H,40,44)
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0.800n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 13: 3617-22 (2003)

More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50122657
PNG
(CHEMBL21126 | N-{4-[5-[(Benzyl-methyl-amino)-methy...)
Show SMILES CCC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C37H32F2N4O3S/c1-3-32(44)40-26-19-17-25(18-20-26)34-29(22-41(2)21-24-11-6-4-7-12-24)33-35(45)43(27-13-8-5-9-14-27)37(46)42(36(33)47-34)23-28-30(38)15-10-16-31(28)39/h4-20H,3,21-23H2,1-2H3,(H,40,44)
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0.800n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of GnRH receptor


Citation and Details
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50274930
PNG
((R)-4-{2-[5-(2-Fluoro-3-methoxyphenyl)-3-(2-fluoro...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](NCCCC([O-])=O)c2ccccc2)c1=O
Show InChI InChI=1S/C32H30F5N3O5/c1-19-28(21-11-6-14-26(45-2)29(21)34)30(43)40(18-25(20-9-4-3-5-10-20)38-16-8-15-27(41)42)31(44)39(19)17-22-23(32(35,36)37)12-7-13-24(22)33/h3-7,9-14,25,38H,8,15-18H2,1-2H3,(H,41,42)/p-1/t25-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-Tyr5,DLeu6,NMeLeu7,Pro9-NEt-]GnRH from human GnRH receptor expressed in HEK293 cells by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50166451
PNG
((R)-1-(2-fluoro-6-(methylsulfonyl)benzyl)-3-(2-ami...)
Show SMILES COc1cccc(c1F)-c1cn(Cc2c(F)cccc2S(C)(=O)=O)c(=O)n(C[C@H](N)c2ccccc2)c1=O
Show InChI InChI=1S/C27H25F2N3O5S/c1-37-23-12-6-10-18(25(23)29)19-14-31(15-20-21(28)11-7-13-24(20)38(2,35)36)27(34)32(26(19)33)16-22(30)17-8-4-3-5-9-17/h3-14,22H,15-16,30H2,1-2H3/t22-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GnRHR


Citation and Details
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50166451
PNG
((R)-1-(2-fluoro-6-(methylsulfonyl)benzyl)-3-(2-ami...)
Show SMILES COc1cccc(c1F)-c1cn(Cc2c(F)cccc2S(C)(=O)=O)c(=O)n(C[C@H](N)c2ccccc2)c1=O
Show InChI InChI=1S/C27H25F2N3O5S/c1-37-23-12-6-10-18(25(23)29)19-14-31(15-20-21(28)11-7-13-24(20)38(2,35)36)27(34)32(26(19)33)16-22(30)17-8-4-3-5-9-17/h3-14,22H,15-16,30H2,1-2H3/t22-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin-releasing hormone receptor (GNRHR) using GnRH peptide as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50272662
PNG
((R)-5-(3-(1-(2-fluoro-6-(trifluoromethyl)benzyl)-3...)
Show SMILES Cc1c(-c2cccc(OCCCCC(O)=O)c2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F
Show InChI InChI=1S/C32H30F5N3O5/c1-19-28(21-11-7-14-26(29(21)34)45-16-6-5-15-27(41)42)30(43)40(18-25(38)20-9-3-2-4-10-20)31(44)39(19)17-22-23(32(35,36)37)12-8-13-24(22)33/h2-4,7-14,25H,5-6,15-18,38H2,1H3,(H,41,42)/t25-/m0/s1
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1n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]tyr5,D-Leu6,NMeLeu7-GnRH from human cloned GnRH receptor expressed in RBL cells


Citation and Details
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50375882
PNG
(CHEMBL411526)
Show SMILES CNCCNc1nc(OC)c(NC(=O)c2ccc(Cc3cc4c(cc3C)C(C)(C)OC4(C)C)o2)c(OC)n1
Show InChI InChI=1S/C28H37N5O5/c1-16-13-19-20(28(4,5)38-27(19,2)3)15-17(16)14-18-9-10-21(37-18)23(34)31-22-24(35-7)32-26(30-12-11-29-6)33-25(22)36-8/h9-10,13,15,29H,11-12,14H2,1-8H3,(H,31,34)(H,30,32,33)
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1n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of GnRH receptor


Citation and Details
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50166437
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-5-(2-chloro-3-metho...)
Show SMILES COc1cccc(c1Cl)-c1cn(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O
Show InChI InChI=1S/C26H22ClF2N3O3/c1-35-23-12-5-9-17(24(23)27)18-13-31(14-19-20(28)10-6-11-21(19)29)26(34)32(25(18)33)15-22(30)16-7-3-2-4-8-16/h2-13,22H,14-15,30H2,1H3/t22-/m0/s1
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1n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin-releasing hormone receptor (GNRHR) using GnRH peptide as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50109235
PNG
(7-(4-Butyrylamino-phenyl)-1-(2-fluoro-benzyl)-6-{[...)
Show SMILES CCCC(=O)Nc1ccc(cc1)-c1cc2n(Cc3ccccc3F)cc(C(=O)NCCCc3ccccc3)c(=O)n2c1CN(C)CCc1ccccn1
Show InChI InChI=1S/C43H45FN6O3/c1-3-12-40(51)47-35-21-19-32(20-22-35)36-27-41-49(28-33-16-7-8-18-38(33)44)29-37(42(52)46-25-11-15-31-13-5-4-6-14-31)43(53)50(41)39(36)30-48(2)26-23-34-17-9-10-24-45-34/h4-10,13-14,16-22,24,27,29H,3,11-12,15,23,25-26,28,30H2,1-2H3,(H,46,52)(H,47,51)
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1.10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human gonadotropin-releasing hormone (hGnRH) receptor expressed in HEK293 cells using des-Gly10[125I-Tyr,5DLeu,6NMeLeu,7Pro9-NEt]...


Bioorg Med Chem Lett 12: 403-6 (2002)

More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50272658
PNG
((R)-6-(3-(1-(2-fluoro-6-(trifluoromethyl)benzyl)-3...)
Show SMILES Cc1c(-c2cccc(OCCCCCC(O)=O)c2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F
Show InChI InChI=1S/C33H33F4N3O5/c1-21-30(23-12-8-13-24(18-23)45-17-7-3-6-16-29(41)42)31(43)40(20-28(38)22-10-4-2-5-11-22)32(44)39(21)19-25-26(33(35,36)37)14-9-15-27(25)34/h2,4-5,8-15,18,28H,3,6-7,16-17,19-20,38H2,1H3,(H,41,42)/t28-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]tyr5,D-Leu6,NMeLeu7-GnRH from human cloned GnRH receptor expressed in RBL cells


Citation and Details
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50140110
PNG
((R)-1-(2,6-difluorobenzyl)-5-(2-fluoro-3-methoxyph...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](C)NCc2ccccn2)c1=O
Show InChI InChI=1S/C28H27F3N4O3/c1-17(33-14-19-8-4-5-13-32-19)15-35-27(36)25(20-9-6-12-24(38-3)26(20)31)18(2)34(28(35)37)16-21-22(29)10-7-11-23(21)30/h4-13,17,33H,14-16H2,1-3H3/t17-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc

Curated by ChEMBL


Assay Description
Binding affinity at human GnRH receptor


Citation and Details
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50140110
PNG
((R)-1-(2,6-difluorobenzyl)-5-(2-fluoro-3-methoxyph...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](C)NCc2ccccn2)c1=O
Show InChI InChI=1S/C28H27F3N4O3/c1-17(33-14-19-8-4-5-13-32-19)15-35-27(36)25(20-9-6-12-24(38-3)26(20)31)18(2)34(28(35)37)16-21-22(29)10-7-11-23(21)30/h4-13,17,33H,14-16H2,1-3H3/t17-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity evaluated by the ability to inhibit des-Gly10[125I]Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]- Gonadotropin-releasing hormone binding to cloned h...


Citation and Details
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50166458
PNG
((R)-1-(2-fluoro-6-(trifluoromethyl)benzyl)-3-(2-am...)
Show SMILES N[C@@H](Cn1c(=O)c(cn(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1ccccc1Cl)c1ccccc1
Show InChI InChI=1S/C26H20ClF4N3O2/c27-21-11-5-4-9-17(21)18-13-33(14-19-20(26(29,30)31)10-6-12-22(19)28)25(36)34(24(18)35)15-23(32)16-7-2-1-3-8-16/h1-13,23H,14-15,32H2/t23-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GnRHR


Citation and Details
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50274931
PNG
((R)-4-{2-[5-(2-Fluoro-3-methoxyphenyl)-3-(2-chloro...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2Cl)c(=O)n(C[C@H](NCCCC(O)=O)c2ccccc2)c1=O
Show InChI InChI=1S/C31H30ClF2N3O5/c1-19-28(21-11-6-14-26(42-2)29(21)34)30(40)37(31(41)36(19)17-22-23(32)12-7-13-24(22)33)18-25(20-9-4-3-5-10-20)35-16-8-15-27(38)39/h3-7,9-14,25,35H,8,15-18H2,1-2H3,(H,38,39)/t25-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-Tyr5,DLeu6,NMeLeu7,Pro9-NEt-]GnRH from human GnRH receptor expressed in HEK293 cells by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
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