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Compile Data Set for Download or QSAR

Found 623 hits with Last Name = 'huang' and Initial = 'cq'   
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


(Rattus norvegicus)
BDBM50213665
PNG
((S)-1-(3-(1-(4-(1H-tetrazol-5-yl)phenethylamino)pr...)
Show SMILES C[C@H](CNCCc1ccc(cc1)-c1nnn[nH]1)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)Cc1c(F)cccc1C(F)(F)F |r|
Show InChI InChI=1S/C36H37F4N7O/c1-21-15-22(2)17-26(16-21)34-33(23(3)19-41-13-11-24-7-9-25(10-8-24)35-43-45-46-44-35)28-20-47(14-12-31(28)42-34)32(48)18-27-29(36(38,39)40)5-4-6-30(27)37/h4-10,15-17,23,41-42H,11-14,18-20H2,1-3H3,(H,43,44,45,46)/t23-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr5, DLeu6, NMeLeu7, Pro-N-Et-GnRH from cloned rat GnRHR


Bioorg Med Chem Lett 17: 3845-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.009
BindingDB Entry DOI: 10.7270/Q2JD4WHQ
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50213671
PNG
((S)-1-(2-(3,5-dimethylphenyl)-3-(1-(2-(quinoxalin-...)
Show SMILES C[C@H](CNCCc1ccc2nccnc2c1)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)Cc1c(F)cccc1C(F)(F)F
Show InChI InChI=1S/C37H37F4N5O/c1-22-15-23(2)17-26(16-22)36-35(24(3)20-42-11-9-25-7-8-32-33(18-25)44-13-12-43-32)28-21-46(14-10-31(28)45-36)34(47)19-27-29(37(39,40)41)5-4-6-30(27)38/h4-8,12-13,15-18,24,42,45H,9-11,14,19-21H2,1-3H3/t24-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr5, DLeu6, NMeLeu7, Pro-N-Et-GnRH from cloned rat GnRHR


Bioorg Med Chem Lett 17: 3845-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.009
BindingDB Entry DOI: 10.7270/Q2JD4WHQ
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50213664
PNG
((S)-5-(2-(2-(2-(3,5-dimethylphenyl)-5-(2-(2-fluoro...)
Show SMILES C[C@H](CNCCc1ccc(=O)n(C)c1)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)Cc1c(F)cccc1C(F)(F)F
Show InChI InChI=1S/C35H38F4N4O2/c1-21-14-22(2)16-25(15-21)34-33(23(3)18-40-12-10-24-8-9-31(44)42(4)19-24)27-20-43(13-11-30(27)41-34)32(45)17-26-28(35(37,38)39)6-5-7-29(26)36/h5-9,14-16,19,23,40-41H,10-13,17-18,20H2,1-4H3/t23-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr5, DLeu6, NMeLeu7, Pro-N-Et-GnRH from cloned rat GnRHR


Bioorg Med Chem Lett 17: 3845-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.009
BindingDB Entry DOI: 10.7270/Q2JD4WHQ
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 |r|
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


Bioorg Med Chem Lett 15: 2519-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.057
BindingDB Entry DOI: 10.7270/Q2M044ZX
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50132965
PNG
(CHEMBL115389 | Cyclopropylmethyl-[8-(2,4-dichloro-...)
Show SMILES CCCN(CC1CC1)c1cc(C)nc2c(cccc12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H24Cl2N2/c1-3-11-27(14-16-7-8-16)22-12-15(2)26-23-19(5-4-6-20(22)23)18-10-9-17(24)13-21(18)25/h4-6,9-10,12-13,16H,3,7-8,11,14H2,1-2H3
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0.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Corticotropin releasing factor receptor 1 expressed in CHO cells using [125I]-o-CRF as the radioligand


Bioorg Med Chem Lett 13: 3375-9 (2003)


BindingDB Entry DOI: 10.7270/Q2WM1CS4
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50213659
PNG
((S)-1-(2-(3,5-dimethylphenyl)-3-(1-(2-(pyridin-4-y...)
Show SMILES C[C@H](CNCCc1ccncc1)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)Cc1c(F)cccc1C(F)(F)F
Show InChI InChI=1S/C34H36F4N4O/c1-21-15-22(2)17-25(16-21)33-32(23(3)19-40-13-9-24-7-11-39-12-8-24)27-20-42(14-10-30(27)41-33)31(43)18-26-28(34(36,37)38)5-4-6-29(26)35/h4-8,11-12,15-17,23,40-41H,9-10,13-14,18-20H2,1-3H3/t23-/m1/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, Pro-N-Et-GnRH from cloned rat GnRHR


Bioorg Med Chem Lett 17: 3845-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.009
BindingDB Entry DOI: 10.7270/Q2JD4WHQ
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50213658
PNG
((S)-1-(3-(1-(2-(1H-benzo[d][1,2,3]triazol-5-yl)eth...)
Show SMILES C[C@H](CNCCc1ccc2nn[nH]c2c1)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)Cc1c(F)cccc1C(F)(F)F
Show InChI InChI=1S/C35H36F4N6O/c1-20-13-21(2)15-24(14-20)34-33(22(3)18-40-11-9-23-7-8-30-31(16-23)43-44-42-30)26-19-45(12-10-29(26)41-34)32(46)17-25-27(35(37,38)39)5-4-6-28(25)36/h4-8,13-16,22,40-41H,9-12,17-19H2,1-3H3,(H,42,43,44)/t22-/m1/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, Pro-N-Et-GnRH from cloned rat GnRHR


Bioorg Med Chem Lett 17: 3845-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.009
BindingDB Entry DOI: 10.7270/Q2JD4WHQ
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 |r,wD:29.31,(2.33,6.39,;1,5.62,;1.01,4.08,;2.35,3.31,;2.35,1.77,;1.02,.99,;-.31,1.77,;-.32,3.3,;-1.66,4.06,;-1.64,1,;-1.64,-.54,;-.31,-1.32,;-2.97,-1.31,;-2.97,-2.85,;-1.64,-3.62,;-.32,-2.85,;-1.66,-2.08,;1.02,-3.61,;1.02,-5.16,;-.31,-5.93,;-1.65,-5.16,;-2.98,-5.92,;-4.32,-6.68,;-2.22,-7.26,;-3.74,-4.59,;-4.3,-.54,;-5.63,-1.32,;-4.3,1,;-5.64,1.76,;-6.97,.99,;-6.96,-.55,;-8.3,1.75,;-8.3,3.29,;-9.64,4.06,;-10.97,3.28,;-10.96,1.74,;-9.62,.98,;-2.97,1.77,;-2.97,3.31,)|
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


J Med Chem 51: 7478-85 (2009)


Article DOI: 10.1021/jm8006454
BindingDB Entry DOI: 10.7270/Q2S46RT8
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 |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
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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


J Med Chem 51: 7478-85 (2009)


Article DOI: 10.1021/jm8006454
BindingDB Entry DOI: 10.7270/Q2S46RT8
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 |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
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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


Bioorg Med Chem Lett 15: 2519-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.057
BindingDB Entry DOI: 10.7270/Q2M044ZX
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50213663
PNG
(1-(3-((S)-1-(2-(6-(1H-tetrazol-5-yl)pyridin-3-yl)e...)
Show SMILES C[C@H](CNCCc1ccc(nc1)-c1nnn[nH]1)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)Cc1c(F)cccc1C(F)(F)F
Show InChI InChI=1S/C35H36F4N8O/c1-20-13-21(2)15-24(14-20)33-32(22(3)17-40-11-9-23-7-8-30(41-18-23)34-43-45-46-44-34)26-19-47(12-10-29(26)42-33)31(48)16-25-27(35(37,38)39)5-4-6-28(25)36/h4-8,13-15,18,22,40,42H,9-12,16-17,19H2,1-3H3,(H,43,44,45,46)/t22-/m1/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]-Tyr5, DLeu6, NMeLeu7, Pro-N-Et-GnRH from cloned rat GnRHR


Bioorg Med Chem Lett 17: 3845-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.009
BindingDB Entry DOI: 10.7270/Q2JD4WHQ
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50213652
PNG
((S)-1-(3-(1-(2-(3H-[1,2,3]triazolo[4,5-b]pyridin-6...)
Show SMILES C[C@H](CNCCc1cnc2nn[nH]c2c1)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)Cc1c(F)cccc1C(F)(F)F
Show InChI InChI=1S/C34H35F4N7O/c1-19-11-20(2)13-23(12-19)32-31(21(3)16-39-9-7-22-14-29-33(40-17-22)43-44-42-29)25-18-45(10-8-28(25)41-32)30(46)15-24-26(34(36,37)38)5-4-6-27(24)35/h4-6,11-14,17,21,39,41H,7-10,15-16,18H2,1-3H3,(H,40,42,43,44)/t21-/m1/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]-Tyr5, DLeu6, NMeLeu7, Pro-N-Et-GnRH from cloned rat GnRHR


Bioorg Med Chem Lett 17: 3845-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.009
BindingDB Entry DOI: 10.7270/Q2JD4WHQ
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 |r|
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


Bioorg Med Chem Lett 18: 4503-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.059
BindingDB Entry DOI: 10.7270/Q2QR4WZJ
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50132898
PNG
(CHEMBL115142 | Dibutyl-[3-(2,4-dichloro-phenyl)-1,...)
Show SMILES CCCCN(CCCC)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H28Cl2N4/c1-5-7-11-28(12-8-6-2)19-13-15(3)25-21-20(26-27(4)22(19)21)17-10-9-16(23)14-18(17)24/h9-10,13-14H,5-8,11-12H2,1-4H3
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0.620n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards Corticotropin releasing factor receptor 1 was measured through displacement of [125I]-sauvagine expressed in HEK293 cells


Bioorg Med Chem Lett 13: 3371-4 (2003)


BindingDB Entry DOI: 10.7270/Q21C1W8F
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50132898
PNG
(CHEMBL115142 | Dibutyl-[3-(2,4-dichloro-phenyl)-1,...)
Show SMILES CCCCN(CCCC)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H28Cl2N4/c1-5-7-11-28(12-8-6-2)19-13-15(3)25-21-20(26-27(4)22(19)21)17-10-9-16(23)14-18(17)24/h9-10,13-14H,5-8,11-12H2,1-4H3
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0.620n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to the human corticotropin releasing factor receptor 1 expressed in HEK273 cells


Bioorg Med Chem Lett 13: 3367-70 (2003)


BindingDB Entry DOI: 10.7270/Q2542N05
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 |r|
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


Bioorg Med Chem Lett 18: 3301-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.036
BindingDB Entry DOI: 10.7270/Q2JD4WKM
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 |r|
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


J Med Chem 51: 7478-85 (2009)


Article DOI: 10.1021/jm8006454
BindingDB Entry DOI: 10.7270/Q2S46RT8
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 |r|
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


Bioorg Med Chem Lett 15: 2519-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.057
BindingDB Entry DOI: 10.7270/Q2M044ZX
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50213657
PNG
((S)-1-(2-(3,5-dimethylphenyl)-3-(1-(2-(6-fluoro-1H...)
Show SMILES C[C@H](CNCCc1cc2[nH]nnc2cc1F)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)Cc1c(F)cccc1C(F)(F)F
Show InChI InChI=1S/C35H35F5N6O/c1-19-11-20(2)13-23(12-19)34-33(21(3)17-41-9-7-22-14-30-31(16-28(22)37)44-45-43-30)25-18-46(10-8-29(25)42-34)32(47)15-24-26(35(38,39)40)5-4-6-27(24)36/h4-6,11-14,16,21,41-42H,7-10,15,17-18H2,1-3H3,(H,43,44,45)/t21-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr5, DLeu6, NMeLeu7, Pro-N-Et-GnRH from cloned rat GnRHR


Bioorg Med Chem Lett 17: 3845-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.009
BindingDB Entry DOI: 10.7270/Q2JD4WHQ
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50148897
PNG
(CHEMBL333735 | Cyclopropylmethyl-[3-(2,4-dichloro-...)
Show SMILES CCCN(CC1CC1)c1cc(SC)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(14.51,-6.15,;14.47,-7.69,;15.77,-8.49,;15.74,-10.02,;17.05,-10.83,;17.01,-12.37,;18.31,-13.17,;15.65,-13.1,;14.39,-10.76,;14.34,-12.3,;12.97,-13.05,;12.93,-14.57,;11.58,-15.31,;11.66,-12.23,;11.71,-10.68,;10.6,-9.61,;11.28,-8.23,;10.55,-6.87,;12.81,-8.44,;13.07,-9.96,;9.1,-9.88,;8.57,-11.33,;7.06,-11.6,;6.07,-10.42,;4.57,-10.7,;6.59,-8.98,;8.1,-8.7,;8.5,-7.21,)|
Show InChI InChI=1S/C21H24Cl2N4S/c1-4-9-26(12-14-5-6-14)19-11-18(28-3)24-21-20(13(2)25-27(19)21)16-8-7-15(22)10-17(16)23/h7-8,10-11,14H,4-6,9,12H2,1-3H3
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0.730n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to the cloned human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 14: 3669-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.019
BindingDB Entry DOI: 10.7270/Q2T72GWP
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50149670
PNG
(CHEMBL361782 | [3-(3-Chloro-5-trifluoromethyl-pyri...)
Show SMILES CCCN(CC1CC1)c1cc(C)nc2c(c(C)nn12)-c1ncc(cc1Cl)C(F)(F)F |(3.73,6.08,;4.32,4.66,;3.39,3.42,;3.97,2,;5.49,1.81,;6.09,.37,;7.31,-.56,;5.89,-1.15,;3.04,.79,;3.62,-.64,;2.68,-1.85,;3.27,-3.27,;1.15,-1.64,;.59,-.22,;-.86,.27,;-.83,1.81,;-2.05,2.75,;.66,2.24,;1.52,.97,;-2.26,-.38,;-2.26,-1.94,;-3.59,-2.71,;-4.92,-1.94,;-4.92,-.4,;-3.59,.37,;-3.61,1.93,;-6.27,-2.71,;-7.48,-3.41,;-7.77,-2.13,;-6.53,-4.3,)|
Show InChI InChI=1S/C21H23ClF3N5/c1-4-7-29(11-14-5-6-14)17-8-12(2)27-20-18(13(3)28-30(17)20)19-16(22)9-15(10-26-19)21(23,24)25/h8-10,14H,4-7,11H2,1-3H3
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0.800n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human CRF1 receptor


Bioorg Med Chem Lett 14: 3943-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.056
BindingDB Entry DOI: 10.7270/Q2KK9B7F
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 |r|
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


Bioorg Med Chem Lett 18: 3301-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.036
BindingDB Entry DOI: 10.7270/Q2JD4WKM
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50132951
PNG
(8-(2,4-dichlorophenyl)-2-methyl-N,N-dipropylquinol...)
Show SMILES CCCN(CCC)c1cc(C)nc2c(cccc12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H24Cl2N2/c1-4-11-26(12-5-2)21-13-15(3)25-22-18(7-6-8-19(21)22)17-10-9-16(23)14-20(17)24/h6-10,13-14H,4-5,11-12H2,1-3H3
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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 cloned human CRF1 receptor expressed in CHO cells using [125I]-o-CRF as the radioligand


Bioorg Med Chem Lett 13: 3375-9 (2003)


BindingDB Entry DOI: 10.7270/Q2WM1CS4
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50132950
PNG
(Butyl-[3-(2,4-dichloro-phenyl)-1,5-dimethyl-1H-pyr...)
Show SMILES CCCCCN(CCCC)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H30Cl2N4/c1-5-7-9-13-29(12-8-6-2)20-14-16(3)26-22-21(27-28(4)23(20)22)18-11-10-17(24)15-19(18)25/h10-11,14-15H,5-9,12-13H2,1-4H3
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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 Corticotropin releasing factor receptor 1 was measured through displacement of [125I]-sauvagine expressed in HEK293 cells


Bioorg Med Chem Lett 13: 3371-4 (2003)


BindingDB Entry DOI: 10.7270/Q21C1W8F
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 |r,wD:29.31,(30.28,-13.89,;28.95,-14.65,;27.62,-13.88,;27.62,-12.34,;26.28,-11.56,;24.95,-12.33,;24.95,-13.87,;26.28,-14.64,;26.27,-16.18,;23.62,-14.63,;23.62,-16.17,;24.95,-16.94,;22.29,-16.93,;22.29,-18.47,;23.62,-19.24,;24.95,-18.47,;26.27,-17.69,;26.28,-19.24,;26.28,-20.78,;24.95,-21.55,;23.62,-20.78,;22.28,-21.55,;20.94,-22.31,;23.04,-22.89,;21.52,-20.21,;20.96,-16.17,;19.63,-16.94,;20.96,-14.63,;19.63,-13.86,;18.29,-14.64,;18.3,-16.18,;16.97,-16.95,;16.97,-18.49,;15.64,-19.27,;15.64,-20.81,;14.31,-21.58,;16.98,-21.57,;16.96,-13.87,;16.95,-12.33,;15.62,-11.57,;14.28,-12.35,;14.29,-13.88,;15.63,-14.64,;22.29,-13.85,;22.29,-12.31,)|
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


J Med Chem 51: 7478-85 (2009)


Article DOI: 10.1021/jm8006454
BindingDB Entry DOI: 10.7270/Q2S46RT8
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 |r|
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


Bioorg Med Chem Lett 15: 2519-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.057
BindingDB Entry DOI: 10.7270/Q2M044ZX
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


Bioorg Med Chem Lett 15: 2519-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.057
BindingDB Entry DOI: 10.7270/Q2M044ZX
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50213662
PNG
((S)-1-(2-(3,5-dimethylphenyl)-3-(1-(2-(2-methyl-1H...)
Show SMILES C[C@H](CNCCc1ccc2nc(C)[nH]c2c1)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)Cc1c(F)cccc1C(F)(F)F
Show InChI InChI=1S/C37H39F4N5O/c1-21-14-22(2)16-26(15-21)36-35(23(3)19-42-12-10-25-8-9-32-33(17-25)44-24(4)43-32)28-20-46(13-11-31(28)45-36)34(47)18-27-29(37(39,40)41)6-5-7-30(27)38/h5-9,14-17,23,42,45H,10-13,18-20H2,1-4H3,(H,43,44)/t23-/m1/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, DLeu6, NMeLeu7, Pro-N-Et-GnRH from cloned rat GnRHR


Bioorg Med Chem Lett 17: 3845-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.009
BindingDB Entry DOI: 10.7270/Q2JD4WHQ
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50132924
PNG
(CHEMBL116171 | Cyclopropylmethyl-[3-(2,4-dichloro-...)
Show SMILES CCCCCCN(CC1CC1)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H30Cl2N4/c1-4-5-6-7-12-30(15-17-8-9-17)21-13-16(2)27-23-22(28-29(3)24(21)23)19-11-10-18(25)14-20(19)26/h10-11,13-14,17H,4-9,12,15H2,1-3H3
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1n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards Corticotropin releasing factor receptor 1 was measured through displacement of [125I]-sauvagine expressed in HEK293 cells


Bioorg Med Chem Lett 13: 3371-4 (2003)


BindingDB Entry DOI: 10.7270/Q21C1W8F
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 |r,wD:22.23,(32.43,-44.71,;31.09,-43.94,;31.09,-42.4,;32.42,-41.63,;33.75,-42.41,;35.09,-41.65,;35.1,-40.11,;33.75,-39.33,;33.75,-37.79,;35.09,-37.02,;35.09,-35.48,;36.42,-34.71,;36.42,-33.17,;37.75,-32.4,;39.09,-33.17,;37.75,-30.86,;32.42,-40.1,;31.09,-39.33,;29.76,-41.62,;29.76,-40.08,;28.44,-42.4,;27.1,-41.63,;25.77,-42.4,;25.77,-43.94,;24.43,-41.64,;24.44,-40.1,;23.1,-39.33,;21.77,-40.11,;21.78,-41.66,;23.11,-42.42,;28.44,-43.94,;27.1,-44.71,;29.76,-44.7,;29.76,-46.24,;28.98,-47.57,;29.81,-48.85,;31.35,-48.77,;29.12,-50.22,;27.57,-50.3,;26.74,-49.01,;27.44,-47.64,;26.61,-46.34,;25.79,-45.04,;25.31,-47.17,;27.91,-45.51,)|
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


Bioorg Med Chem Lett 18: 4503-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.059
BindingDB Entry DOI: 10.7270/Q2QR4WZJ
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 |r,wD:26.28,(8.1,-10.47,;6.76,-11.23,;5.43,-10.46,;5.44,-8.92,;4.1,-8.14,;2.77,-8.91,;2.77,-10.45,;4.1,-11.22,;4.09,-12.76,;1.44,-11.21,;1.44,-12.75,;2.77,-13.52,;.11,-13.51,;.11,-15.05,;1.44,-15.82,;2.76,-15.05,;4.09,-14.27,;4.1,-15.81,;4.1,-17.36,;2.77,-18.13,;1.43,-17.36,;.1,-18.13,;-1.22,-12.75,;-2.55,-13.52,;-1.22,-11.21,;-2.56,-10.44,;-3.89,-11.22,;-3.88,-12.76,;-5.22,-13.53,;-5.21,-15.07,;-6.54,-15.84,;-6.54,-17.38,;-7.87,-18.16,;-5.2,-18.15,;-5.22,-10.45,;-5.23,-8.91,;-6.57,-8.14,;-7.9,-8.93,;-7.89,-10.46,;-6.56,-11.22,;.11,-10.43,;.11,-8.89,)|
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


J Med Chem 51: 7478-85 (2009)


Article DOI: 10.1021/jm8006454
BindingDB Entry DOI: 10.7270/Q2S46RT8
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 |r|
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


Bioorg Med Chem Lett 18: 3301-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.036
BindingDB Entry DOI: 10.7270/Q2JD4WKM
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50087707
PNG
(CHEMBL295563 | [3-(2,4-Dimethoxy-phenyl)-2,5-dimet...)
Show SMILES CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1OC |(17.03,-6.41,;17,-7.95,;15.62,-8.69,;15.6,-10.23,;16.9,-11.03,;16.86,-12.57,;18.17,-13.39,;14.25,-10.96,;14.19,-12.5,;12.82,-13.25,;12.78,-14.79,;11.51,-12.43,;11.56,-10.89,;10.45,-9.82,;11.12,-8.43,;10.4,-7.06,;12.65,-8.64,;12.92,-10.16,;8.95,-10.09,;8.42,-11.54,;6.9,-11.8,;5.91,-10.62,;4.4,-10.89,;3.89,-12.34,;6.44,-9.18,;7.95,-8.91,;8.48,-7.46,;7.48,-6.27,)|
Show InChI InChI=1S/C22H30N4O2/c1-7-11-25(12-8-2)20-13-15(3)23-22-21(16(4)24-26(20)22)18-10-9-17(27-5)14-19(18)28-6/h9-10,13-14H,7-8,11-12H2,1-6H3
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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 the cloned human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 14: 3669-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.019
BindingDB Entry DOI: 10.7270/Q2T72GWP
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50149663
PNG
(CHEMBL183068 | Dibutyl-[3-(3-chloro-5-trifluoromet...)
Show SMILES CCCCN(CCCC)c1cc(C)nc2c(c(C)nn12)-c1ncc(cc1Cl)C(F)(F)F |(2.04,6.07,;3.58,5.86,;4.17,4.43,;3.23,3.22,;3.82,1.79,;5.35,1.58,;5.94,.16,;7.46,-.05,;8.07,-1.48,;2.88,.58,;3.47,-.85,;2.53,-2.06,;3.12,-3.49,;1.01,-1.88,;.43,-.45,;-1.02,.06,;-.97,1.6,;-2.2,2.54,;.5,2.02,;1.36,.76,;-2.42,-.62,;-2.42,-2.16,;-3.75,-2.93,;-5.09,-2.16,;-5.09,-.62,;-3.75,.16,;-3.76,1.7,;-6.42,-2.93,;-7.63,-3.63,;-7.94,-2.37,;-6.68,-4.52,)|
Show InChI InChI=1S/C22H27ClF3N5/c1-5-7-9-30(10-8-6-2)18-11-14(3)28-21-19(15(4)29-31(18)21)20-17(23)12-16(13-27-20)22(24,25)26/h11-13H,5-10H2,1-4H3
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1.10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human CRF1 receptor


Bioorg Med Chem Lett 14: 3943-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.056
BindingDB Entry DOI: 10.7270/Q2KK9B7F
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 |r|
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


Bioorg Med Chem Lett 18: 4503-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.059
BindingDB Entry DOI: 10.7270/Q2QR4WZJ
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 |r|
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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1.20n/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


Bioorg Med Chem Lett 15: 2519-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.057
BindingDB Entry DOI: 10.7270/Q2M044ZX
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 |r,wD:22.23,(32.43,-44.71,;31.09,-43.94,;31.09,-42.4,;32.42,-41.63,;33.75,-42.41,;35.09,-41.65,;35.1,-40.11,;33.75,-39.33,;33.75,-37.79,;35.09,-37.02,;35.09,-35.48,;36.42,-34.71,;36.42,-33.17,;37.75,-32.4,;39.09,-33.17,;37.75,-30.86,;32.42,-40.1,;31.09,-39.33,;29.76,-41.62,;29.76,-40.08,;28.44,-42.4,;27.1,-41.63,;25.77,-42.4,;25.77,-43.94,;24.43,-41.64,;24.44,-40.1,;23.1,-39.33,;21.77,-40.11,;21.78,-41.66,;23.11,-42.42,;28.44,-43.94,;27.1,-44.71,;29.76,-44.7,;29.76,-46.24,;28.98,-47.57,;29.81,-48.85,;31.35,-48.77,;29.12,-50.22,;27.57,-50.3,;26.74,-49.01,;27.44,-47.64,;26.61,-46.34,;25.79,-45.04,;25.31,-47.17,;27.91,-45.51,)|
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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1.20n/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


Bioorg Med Chem Lett 18: 4503-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.059
BindingDB Entry DOI: 10.7270/Q2QR4WZJ
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50272666
PNG
((R)-5-(3-(1-(2-fluoro-6-(trifluoromethyl)benzyl)-6...)
Show SMILES CN[C@@H](Cn1c(=O)c(c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1cccc(OCCCCC(O)=O)c1F)c1ccccc1 |r,wD:2.1,(29.55,-7.07,;30.88,-6.3,;30.88,-4.76,;32.21,-3.99,;33.55,-4.75,;34.87,-3.97,;34.87,-2.43,;36.2,-4.75,;36.2,-6.29,;37.54,-7.06,;34.87,-7.05,;34.87,-8.59,;34.09,-9.92,;34.92,-11.21,;36.46,-11.13,;34.23,-12.58,;32.68,-12.66,;31.85,-11.36,;32.55,-9.99,;31.72,-8.7,;30.9,-7.39,;30.42,-9.52,;33.02,-7.87,;33.55,-6.29,;32.21,-7.06,;37.53,-3.99,;38.86,-4.77,;40.2,-4,;40.21,-2.46,;38.86,-1.69,;38.86,-.15,;40.2,.62,;40.2,2.16,;41.53,2.93,;41.53,4.47,;42.86,5.25,;44.2,4.48,;42.86,6.79,;37.53,-2.46,;36.2,-1.69,;29.54,-3.99,;29.55,-2.46,;28.21,-1.69,;26.88,-2.46,;26.89,-4.01,;28.22,-4.77,)|
Show InChI InChI=1S/C33H32F5N3O5/c1-20-29(22-12-8-15-27(30(22)35)46-17-7-6-16-28(42)43)31(44)41(19-26(39-2)21-10-4-3-5-11-21)32(45)40(20)18-23-24(33(36,37)38)13-9-14-25(23)34/h3-5,8-15,26,39H,6-7,16-19H2,1-2H3,(H,42,43)/t26-/m0/s1
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1.20n/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


Bioorg Med Chem Lett 18: 4503-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.059
BindingDB Entry DOI: 10.7270/Q2QR4WZJ
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50132913
PNG
(CHEMBL323886 | [3-(2,4-Dichloro-phenyl)-1,5-dimeth...)
Show SMILES CCCCCN(CCC)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H28Cl2N4/c1-5-7-8-12-28(11-6-2)19-13-15(3)25-21-20(26-27(4)22(19)21)17-10-9-16(23)14-18(17)24/h9-10,13-14H,5-8,11-12H2,1-4H3
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1.20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards Corticotropin releasing factor receptor 1 was measured through displacement of [125I]-sauvagine expressed in HEK293 cells


Bioorg Med Chem Lett 13: 3371-4 (2003)


BindingDB Entry DOI: 10.7270/Q21C1W8F
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50260759
PNG
((R)-4-(2-(3-(2-fluoro-6-(trifluoromethyl)benzyl)-5...)
Show SMILES COc1cccc(c1F)-c1cn(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](NCCCC(O)=O)c2ccccc2)c1=O |r|
Show InChI InChI=1S/C31H28F5N3O5/c1-44-26-13-5-10-20(28(26)33)21-16-38(17-22-23(31(34,35)36)11-6-12-24(22)32)30(43)39(29(21)42)18-25(19-8-3-2-4-9-19)37-15-7-14-27(40)41/h2-6,8-13,16,25,37H,7,14-15,17-18H2,1H3,(H,40,41)/t25-/m0/s1
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1.20n/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


J Med Chem 51: 7478-85 (2009)


Article DOI: 10.1021/jm8006454
BindingDB Entry DOI: 10.7270/Q2S46RT8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50272661
PNG
((R)-6-(3-(1-(2-fluoro-6-(trifluoromethyl)benzyl)-3...)
Show SMILES Cc1c(-c2cccc(OCCCCCC(O)=O)c2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F |r,wD:23.24,(33.36,-44.3,;32.03,-43.53,;32.03,-41.99,;33.36,-41.23,;34.69,-42.01,;36.02,-41.24,;36.03,-39.7,;34.69,-38.93,;34.69,-37.39,;36.02,-36.62,;36.02,-35.08,;37.35,-34.31,;37.35,-32.77,;38.68,-31.99,;38.68,-30.45,;40.02,-29.68,;37.35,-29.68,;33.36,-39.7,;32.02,-38.93,;30.7,-41.21,;30.7,-39.67,;29.37,-41.99,;28.03,-41.23,;26.7,-42,;26.71,-43.54,;25.37,-41.23,;25.37,-39.7,;24.03,-38.93,;22.7,-39.7,;22.71,-41.25,;24.05,-42.01,;29.37,-43.53,;28.04,-44.3,;30.7,-44.29,;30.7,-45.83,;29.91,-47.16,;30.75,-48.45,;32.28,-48.37,;30.05,-49.82,;28.5,-49.9,;27.67,-48.6,;28.37,-47.23,;27.54,-45.94,;26.72,-44.63,;26.24,-46.76,;28.84,-45.11,)|
Show InChI InChI=1S/C33H32F5N3O5/c1-20-29(22-12-8-15-27(30(22)35)46-17-7-3-6-16-28(42)43)31(44)41(19-26(39)21-10-4-2-5-11-21)32(45)40(20)18-23-24(33(36,37)38)13-9-14-25(23)34/h2,4-5,8-15,26H,3,6-7,16-19,39H2,1H3,(H,42,43)/t26-/m0/s1
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1.20n/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


Bioorg Med Chem Lett 18: 4503-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.059
BindingDB Entry DOI: 10.7270/Q2QR4WZJ
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50149671
PNG
(CHEMBL362697 | [3-(3-Chloro-5-trifluoromethyl-pyri...)
Show SMILES CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ncc(cc1Cl)C(F)(F)F |(3.94,6,;4.52,4.6,;3.59,3.37,;4.17,1.96,;5.71,1.73,;6.3,.3,;7.82,.11,;3.23,.72,;3.82,-.7,;2.88,-1.92,;3.47,-3.34,;1.36,-1.71,;.78,-.29,;-.67,.21,;-.63,1.77,;-1.85,2.7,;.85,2.19,;1.71,.91,;-2.07,-.47,;-2.07,-2.01,;-3.41,-2.78,;-4.74,-2.01,;-4.74,-.47,;-3.41,.3,;-3.41,1.85,;-6.08,-2.78,;-7.3,-3.47,;-7.59,-2.21,;-6.34,-4.37,)|
Show InChI InChI=1S/C20H23ClF3N5/c1-5-7-28(8-6-2)16-9-12(3)26-19-17(13(4)27-29(16)19)18-15(21)10-14(11-25-18)20(22,23)24/h9-11H,5-8H2,1-4H3
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1.20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human CRF1 receptor


Bioorg Med Chem Lett 14: 3943-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.056
BindingDB Entry DOI: 10.7270/Q2KK9B7F
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50149654
PNG
(Butyl-[3-(3-chloro-5-trifluoromethyl-pyridin-2-yl)...)
Show SMILES CCCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ncc(cc1Cl)C(F)(F)F |(8.11,-1.27,;7.55,.16,;6.01,.37,;5.42,1.79,;3.89,1.99,;3.3,3.4,;4.24,4.64,;3.65,6.07,;2.95,.76,;3.54,-.66,;2.6,-1.88,;3.18,-3.3,;1.07,-1.67,;.5,-.24,;-.95,.25,;-.93,1.8,;-2.14,2.73,;.57,2.23,;1.45,.95,;-2.35,-.4,;-2.35,-1.97,;-3.68,-2.74,;-5.01,-1.97,;-5.01,-.43,;-3.68,.37,;-3.71,1.91,;-6.35,-2.74,;-7.58,-3.43,;-7.86,-2.16,;-6.63,-4.33,)|
Show InChI InChI=1S/C21H25ClF3N5/c1-5-7-9-29(8-6-2)17-10-13(3)27-20-18(14(4)28-30(17)20)19-16(22)11-15(12-26-19)21(23,24)25/h10-12H,5-9H2,1-4H3
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1.20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human CRF1 receptor


Bioorg Med Chem Lett 14: 3943-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.056
BindingDB Entry DOI: 10.7270/Q2KK9B7F
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50260759
PNG
((R)-4-(2-(3-(2-fluoro-6-(trifluoromethyl)benzyl)-5...)
Show SMILES COc1cccc(c1F)-c1cn(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](NCCCC(O)=O)c2ccccc2)c1=O |r|
Show InChI InChI=1S/C31H28F5N3O5/c1-44-26-13-5-10-20(28(26)33)21-16-38(17-22-23(31(34,35)36)11-6-12-24(22)32)30(43)39(29(21)42)18-25(19-8-3-2-4-9-19)37-15-7-14-27(40)41/h2-6,8-13,16,25,37H,7,14-15,17-18H2,1H3,(H,40,41)/t25-/m0/s1
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1.20n/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


Bioorg Med Chem Lett 18: 4503-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.059
BindingDB Entry DOI: 10.7270/Q2QR4WZJ
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50213653
PNG
((S)-(2-(3,5-dimethylphenyl)-3-(1-(2-(pyridin-4-yl)...)
Show SMILES C[C@H](CNCCc1ccncc1)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)C1C(C)(C)C1(C)C
Show InChI InChI=1S/C33H44N4O/c1-21-16-22(2)18-25(17-21)29-28(23(3)19-35-14-10-24-8-12-34-13-9-24)26-20-37(15-11-27(26)36-29)31(38)30-32(4,5)33(30,6)7/h8-9,12-13,16-18,23,30,35-36H,10-11,14-15,19-20H2,1-7H3/t23-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr5, DLeu6, NMeLeu7, Pro-N-Et-GnRH from cloned rat GnRHR


Bioorg Med Chem Lett 17: 3845-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.009
BindingDB Entry DOI: 10.7270/Q2JD4WHQ
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50166452
PNG
((R)-1-(2-fluoro-6-(methylsulfonyl)benzyl)-3-(2-ami...)
Show SMILES CS(=O)(=O)c1cccc(F)c1Cn1cc(-c2ccccc2Cl)c(=O)n(C[C@H](N)c2ccccc2)c1=O |r|
Show InChI InChI=1S/C26H23ClFN3O4S/c1-36(34,35)24-13-7-12-22(28)20(24)15-30-14-19(18-10-5-6-11-21(18)27)25(32)31(26(30)33)16-23(29)17-8-3-2-4-9-17/h2-14,23H,15-16,29H2,1H3/t23-/m0/s1
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1.30n/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


Bioorg Med Chem Lett 15: 2519-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.057
BindingDB Entry DOI: 10.7270/Q2M044ZX
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50152188
PNG
((4-Chloro-benzyl)-[3-(6-dimethylamino-4-methyl-pyr...)
Show SMILES CCN(Cc1ccc(Cl)cc1)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(5.7,1.45,;4.67,.3,;3.17,.61,;2.68,2.07,;3.69,3.22,;3.2,4.68,;4.21,5.83,;5.75,5.52,;6.77,6.67,;6.23,4.05,;5.21,2.91,;2.15,-.54,;2.61,-1.99,;1.59,-3.15,;2.08,-4.6,;.1,-2.83,;-.39,-1.38,;-1.8,-.75,;-1.65,.79,;-2.8,1.8,;-.14,1.11,;.63,-.23,;-3.13,-1.52,;-3.13,-3.08,;-4.45,-3.85,;-5.79,-3.08,;-5.79,-1.54,;-4.45,-.75,;-4.46,.79,;-7.13,-3.85,;-8.46,-3.08,;-7.13,-5.39,)|
Show InChI InChI=1S/C25H29ClN6/c1-7-31(15-19-8-10-20(26)11-9-19)23-13-17(3)28-25-24(18(4)29-32(23)25)21-14-27-22(30(5)6)12-16(21)2/h8-14H,7,15H2,1-6H3
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1.30n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-o-CRF binding to CHO cells expressing human CRF1 receptor


J Med Chem 47: 4787-98 (2004)


Article DOI: 10.1021/jm040058e
BindingDB Entry DOI: 10.7270/Q2N29WDR
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50272661
PNG
((R)-6-(3-(1-(2-fluoro-6-(trifluoromethyl)benzyl)-3...)
Show SMILES Cc1c(-c2cccc(OCCCCCC(O)=O)c2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F |r,wD:23.24,(33.36,-44.3,;32.03,-43.53,;32.03,-41.99,;33.36,-41.23,;34.69,-42.01,;36.02,-41.24,;36.03,-39.7,;34.69,-38.93,;34.69,-37.39,;36.02,-36.62,;36.02,-35.08,;37.35,-34.31,;37.35,-32.77,;38.68,-31.99,;38.68,-30.45,;40.02,-29.68,;37.35,-29.68,;33.36,-39.7,;32.02,-38.93,;30.7,-41.21,;30.7,-39.67,;29.37,-41.99,;28.03,-41.23,;26.7,-42,;26.71,-43.54,;25.37,-41.23,;25.37,-39.7,;24.03,-38.93,;22.7,-39.7,;22.71,-41.25,;24.05,-42.01,;29.37,-43.53,;28.04,-44.3,;30.7,-44.29,;30.7,-45.83,;29.91,-47.16,;30.75,-48.45,;32.28,-48.37,;30.05,-49.82,;28.5,-49.9,;27.67,-48.6,;28.37,-47.23,;27.54,-45.94,;26.72,-44.63,;26.24,-46.76,;28.84,-45.11,)|
Show InChI InChI=1S/C33H32F5N3O5/c1-20-29(22-12-8-15-27(30(22)35)46-17-7-3-6-16-28(42)43)31(44)41(19-26(39)21-10-4-2-5-11-21)32(45)40(20)18-23-24(33(36,37)38)13-9-14-25(23)34/h2,4-5,8-15,26H,3,6-7,16-19,39H2,1H3,(H,42,43)/t26-/m0/s1
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1.30n/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


Bioorg Med Chem Lett 18: 4503-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.059
BindingDB Entry DOI: 10.7270/Q2QR4WZJ
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50166452
PNG
((R)-1-(2-fluoro-6-(methylsulfonyl)benzyl)-3-(2-ami...)
Show SMILES CS(=O)(=O)c1cccc(F)c1Cn1cc(-c2ccccc2Cl)c(=O)n(C[C@H](N)c2ccccc2)c1=O |r|
Show InChI InChI=1S/C26H23ClFN3O4S/c1-36(34,35)24-13-7-12-22(28)20(24)15-30-14-19(18-10-5-6-11-21(18)27)25(32)31(26(30)33)16-23(29)17-8-3-2-4-9-17/h2-14,23H,15-16,29H2,1H3/t23-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GnRHR


Bioorg Med Chem Lett 18: 3301-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.036
BindingDB Entry DOI: 10.7270/Q2JD4WKM
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50132921
PNG
(CHEMBL112626 | [3-(2,4-Dichloro-phenyl)-1,5-dimeth...)
Show SMILES CCCCCN(CC)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H26Cl2N4/c1-5-7-8-11-27(6-2)18-12-14(3)24-20-19(25-26(4)21(18)20)16-10-9-15(22)13-17(16)23/h9-10,12-13H,5-8,11H2,1-4H3
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1.30n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards Corticotropin releasing factor receptor 1 was measured through displacement of [125I]-sauvagine expressed in HEK293 cells


Bioorg Med Chem Lett 13: 3371-4 (2003)


BindingDB Entry DOI: 10.7270/Q21C1W8F
More data for this
Ligand-Target Pair
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