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Compile Data Set for Download or QSAR

Found 39 hits with Last Name = 'reijmers' and Initial = 's'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50168694
PNG
(1-((R)-2-Amino-2-phenyl-ethyl)-3-(2-bromo-6-fluoro...)
Show SMILES COc1cccc(c1F)-n1c(=O)n(C[C@H](N)c2ccccc2)c(=O)n(Cc2c(F)cccc2Br)c1=O |wD:14.15,(8.68,1.49,;7.35,.72,;7.36,-.82,;8.7,-1.59,;8.7,-3.13,;7.37,-3.9,;6.04,-3.13,;6.03,-1.61,;4.7,-.85,;4.71,-3.92,;3.37,-3.15,;3.37,-1.61,;2.04,-3.92,;.71,-3.15,;-.62,-3.93,;-1.4,-5.26,;-1.96,-3.16,;-3.31,-3.93,;-4.64,-3.16,;-4.64,-1.61,;-3.31,-.84,;-1.96,-1.61,;2.04,-5.46,;.71,-6.23,;3.38,-6.23,;3.38,-7.77,;4.72,-8.54,;6.04,-7.75,;7.12,-6.66,;7.37,-8.52,;7.38,-10.06,;6.05,-10.83,;4.71,-10.08,;3.38,-10.85,;4.71,-5.46,;6.05,-6.21,)|
Show InChI InChI=1S/C25H21BrF2N4O4/c1-36-21-12-6-11-20(22(21)28)32-24(34)30(13-16-17(26)9-5-10-18(16)27)23(33)31(25(32)35)14-19(29)15-7-3-2-4-8-15/h2-12,19H,13-14,29H2,1H3/t19-/m0/s1
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2n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
In vitro ability to inhibit des-Gly[125I-Tyr, DLeu, NMeLeu,Pro-NEt]-GnRH radioligand binding to the cloned human GnRH receptor stably expressed in HE...


Bioorg Med Chem Lett 15: 3685-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.038
BindingDB Entry DOI: 10.7270/Q2DZ07TN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50168700
PNG
(1-((R)-2-Amino-2-phenyl-ethyl)-3-(2-fluoro-3-metho...)
Show SMILES COc1cccc(c1F)-n1c(=O)n(C[C@H](N)c2ccccc2)c(=O)n(Cc2c(F)cccc2C(F)(F)F)c1=O |wD:14.15,(8.68,1.49,;7.35,.72,;7.36,-.82,;8.7,-1.59,;8.7,-3.13,;7.37,-3.9,;6.04,-3.13,;6.03,-1.61,;4.7,-.85,;4.71,-3.92,;3.37,-3.15,;3.37,-1.61,;2.04,-3.92,;.71,-3.15,;-.62,-3.93,;-1.4,-5.26,;-1.96,-3.16,;-1.96,-1.61,;-3.31,-.84,;-4.64,-1.61,;-4.64,-3.16,;-3.31,-3.93,;2.04,-5.46,;.71,-6.23,;3.38,-6.23,;3.38,-7.77,;4.72,-8.54,;6.04,-7.75,;7.12,-6.66,;7.37,-8.52,;7.38,-10.06,;6.05,-10.83,;4.71,-10.08,;3.38,-10.85,;2.04,-10.06,;3.37,-12.39,;2.29,-11.93,;4.71,-5.46,;6.05,-6.21,)|
Show InChI InChI=1S/C26H21F5N4O4/c1-39-21-12-6-11-20(22(21)28)35-24(37)33(13-16-17(26(29,30)31)9-5-10-18(16)27)23(36)34(25(35)38)14-19(32)15-7-3-2-4-8-15/h2-12,19H,13-14,32H2,1H3/t19-/m0/s1
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3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
In vitro ability to inhibit des-Gly[125I-Tyr, DLeu, NMeLeu,Pro-NEt]-GnRH radioligand binding to the cloned human GnRH receptor stably expressed in HE...


Bioorg Med Chem Lett 15: 3685-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.038
BindingDB Entry DOI: 10.7270/Q2DZ07TN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50168722
PNG
(1-((R)-2-Amino-2-phenyl-ethyl)-3-(2-chloro-6-fluor...)
Show SMILES COc1cccc(c1F)-n1c(=O)n(C[C@H](N)c2ccccc2)c(=O)n(Cc2c(F)cccc2Cl)c1=O |wD:14.15,(8.68,1.49,;7.35,.72,;7.36,-.82,;8.7,-1.59,;8.7,-3.13,;7.37,-3.9,;6.04,-3.13,;6.03,-1.61,;4.7,-.85,;4.71,-3.92,;3.37,-3.15,;3.37,-1.61,;2.04,-3.92,;.71,-3.15,;-.62,-3.93,;-1.4,-5.26,;-1.96,-3.16,;-3.31,-3.93,;-4.64,-3.16,;-4.64,-1.61,;-3.31,-.84,;-1.96,-1.61,;2.04,-5.46,;.71,-6.23,;3.38,-6.23,;3.38,-7.77,;4.72,-8.54,;6.04,-7.75,;7.12,-6.66,;7.37,-8.52,;7.38,-10.06,;6.05,-10.83,;4.71,-10.08,;3.38,-10.85,;4.71,-5.46,;6.05,-6.21,)|
Show InChI InChI=1S/C25H21ClF2N4O4/c1-36-21-12-6-11-20(22(21)28)32-24(34)30(13-16-17(26)9-5-10-18(16)27)23(33)31(25(32)35)14-19(29)15-7-3-2-4-8-15/h2-12,19H,13-14,29H2,1H3/t19-/m0/s1
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5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
In vitro ability to inhibit des-Gly[125I-Tyr, DLeu, NMeLeu,Pro-NEt]-GnRH radioligand binding to the cloned human GnRH receptor stably expressed in HE...


Bioorg Med Chem Lett 15: 3685-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.038
BindingDB Entry DOI: 10.7270/Q2DZ07TN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50168697
PNG
((R)-1-(2,6-difluorobenzyl)-3-(2-amino-2-phenylethy...)
Show SMILES COc1cccc(c1F)-n1c(=O)n(C[C@H](N)c2ccccc2)c(=O)n(Cc2c(F)cccc2F)c1=O |r,wD:14.15,(31.35,-22.11,;30.02,-22.89,;30.02,-24.43,;31.37,-25.2,;31.37,-26.74,;30.04,-27.51,;28.71,-26.74,;28.7,-25.2,;27.36,-24.44,;27.38,-27.51,;26.05,-26.73,;26.05,-25.19,;24.72,-27.51,;23.38,-26.74,;22.05,-27.52,;22.05,-29.06,;20.72,-26.76,;20.72,-25.21,;19.38,-24.45,;18.05,-25.22,;18.06,-26.77,;19.39,-27.53,;24.72,-29.05,;23.39,-29.82,;26.06,-29.82,;26.06,-31.36,;27.4,-32.12,;28.72,-31.34,;27.38,-30.57,;30.06,-32.1,;30.07,-33.65,;28.74,-34.42,;27.4,-33.66,;26.07,-34.43,;27.38,-29.05,;28.71,-29.82,)|
Show InChI InChI=1S/C25H21F3N4O4/c1-36-21-12-6-11-20(22(21)28)32-24(34)30(13-16-17(26)9-5-10-18(16)27)23(33)31(25(32)35)14-19(29)15-7-3-2-4-8-15/h2-12,19H,13-14,29H2,1H3/t19-/m0/s1
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9n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
In vitro ability to inhibit des-Gly[125I-Tyr, DLeu, NMeLeu,Pro-NEt]-GnRH radioligand binding to the cloned human GnRH receptor stably expressed in HE...


Bioorg Med Chem Lett 15: 3685-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.038
BindingDB Entry DOI: 10.7270/Q2DZ07TN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50168701
PNG
(1-((R)-2-Amino-2-phenyl-ethyl)-3-(2-fluoro-benzyl)...)
Show SMILES COc1cccc(c1F)-n1c(=O)n(C[C@H](N)c2ccccc2)c(=O)n(Cc2ccccc2F)c1=O |wD:14.15,(8.68,1.49,;7.35,.72,;7.36,-.82,;8.7,-1.59,;8.7,-3.13,;7.37,-3.9,;6.04,-3.13,;6.03,-1.61,;4.7,-.85,;4.71,-3.92,;3.37,-3.15,;3.37,-1.61,;2.04,-3.92,;.71,-3.15,;-.62,-3.93,;-1.4,-5.26,;-1.96,-3.16,;-1.96,-1.61,;-3.31,-.84,;-4.64,-1.61,;-4.64,-3.16,;-3.31,-3.93,;2.04,-5.46,;.71,-6.23,;3.38,-6.23,;3.38,-7.77,;4.72,-8.54,;4.71,-10.08,;6.05,-10.83,;7.38,-10.06,;7.37,-8.52,;6.04,-7.75,;7.12,-6.66,;4.71,-5.46,;6.05,-6.21,)|
Show InChI InChI=1S/C25H22F2N4O4/c1-35-21-13-7-12-20(22(21)27)31-24(33)29(14-17-10-5-6-11-18(17)26)23(32)30(25(31)34)15-19(28)16-8-3-2-4-9-16/h2-13,19H,14-15,28H2,1H3/t19-/m0/s1
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11n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
In vitro ability to inhibit des-Gly[125I-Tyr, DLeu, NMeLeu,Pro-NEt]-GnRH radioligand binding to the cloned human GnRH receptor stably expressed in HE...


Bioorg Med Chem Lett 15: 3685-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.038
BindingDB Entry DOI: 10.7270/Q2DZ07TN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50168695
PNG
(2-[3-((R)-2-Amino-2-phenyl-ethyl)-5-(2-fluoro-3-me...)
Show SMILES COc1cccc(c1F)-n1c(=O)n(C[C@H](N)c2ccccc2)c(=O)n(Cc2ccccc2C#N)c1=O |wD:14.15,(8.68,1.49,;7.35,.72,;7.36,-.82,;8.7,-1.59,;8.7,-3.13,;7.37,-3.9,;6.04,-3.13,;6.03,-1.61,;4.7,-.85,;4.71,-3.92,;3.37,-3.15,;3.37,-1.61,;2.04,-3.92,;.71,-3.15,;-.62,-3.93,;-1.4,-5.26,;-1.96,-3.16,;-3.31,-3.93,;-4.64,-3.16,;-4.64,-1.61,;-3.31,-.84,;-1.96,-1.61,;2.04,-5.46,;.71,-6.23,;3.38,-6.23,;3.38,-7.77,;4.72,-8.54,;4.71,-10.08,;6.05,-10.83,;7.38,-10.06,;7.37,-8.52,;6.04,-7.75,;7.12,-6.66,;8.22,-5.56,;4.71,-5.46,;6.05,-6.21,)|
Show InChI InChI=1S/C26H22FN5O4/c1-36-22-13-7-12-21(23(22)27)32-25(34)30(15-19-11-6-5-10-18(19)14-28)24(33)31(26(32)35)16-20(29)17-8-3-2-4-9-17/h2-13,20H,15-16,29H2,1H3/t20-/m0/s1
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13n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
In vitro ability to inhibit des-Gly[125I-Tyr, DLeu, NMeLeu,Pro-NEt]-GnRH radioligand binding to the cloned human GnRH receptor stably expressed in HE...


Bioorg Med Chem Lett 15: 3685-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.038
BindingDB Entry DOI: 10.7270/Q2DZ07TN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50168703
PNG
(1-((R)-2-Amino-2-phenyl-ethyl)-3-(2-fluoro-3-metho...)
Show SMILES COc1cccc(c1F)-n1c(=O)n(C[C@H](N)c2ccccc2)c(=O)n(Cc2ccccc2OC(F)(F)F)c1=O |wD:14.15,(8.68,1.49,;7.35,.72,;7.36,-.82,;8.7,-1.59,;8.7,-3.13,;7.37,-3.9,;6.04,-3.13,;6.03,-1.61,;4.7,-.85,;4.71,-3.92,;3.37,-3.15,;3.37,-1.61,;2.04,-3.92,;.71,-3.15,;-.62,-3.93,;-1.4,-5.26,;-1.96,-3.16,;-1.96,-1.61,;-3.31,-.84,;-4.64,-1.61,;-4.64,-3.16,;-3.31,-3.93,;2.04,-5.46,;.71,-6.23,;3.38,-6.23,;3.38,-7.77,;4.72,-8.54,;4.71,-10.08,;6.05,-10.83,;7.38,-10.06,;7.37,-8.52,;6.04,-7.75,;7.12,-6.66,;8.62,-7.05,;9.69,-5.95,;9.03,-8.52,;10.16,-7.03,;4.71,-5.46,;6.05,-6.21,)|
Show InChI InChI=1S/C26H22F4N4O5/c1-38-21-13-7-11-19(22(21)27)34-24(36)32(14-17-10-5-6-12-20(17)39-26(28,29)30)23(35)33(25(34)37)15-18(31)16-8-3-2-4-9-16/h2-13,18H,14-15,31H2,1H3/t18-/m0/s1
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18n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
In vitro ability to inhibit des-Gly[125I-Tyr, DLeu, NMeLeu,Pro-NEt]-GnRH radioligand binding to the cloned human GnRH receptor stably expressed in HE...


Bioorg Med Chem Lett 15: 3685-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.038
BindingDB Entry DOI: 10.7270/Q2DZ07TN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50168705
PNG
(1-((R)-2-Amino-2-phenyl-ethyl)-3-(2-chloro-benzyl)...)
Show SMILES COc1cccc(c1F)-n1c(=O)n(C[C@H](N)c2ccccc2)c(=O)n(Cc2ccccc2Cl)c1=O |wD:14.15,(8.68,1.49,;7.35,.72,;7.36,-.82,;8.7,-1.59,;8.7,-3.13,;7.37,-3.9,;6.04,-3.13,;6.03,-1.61,;4.7,-.85,;4.71,-3.92,;3.37,-3.15,;3.37,-1.61,;2.04,-3.92,;.71,-3.15,;-.62,-3.93,;-1.4,-5.26,;-1.96,-3.16,;-1.96,-1.61,;-3.31,-.84,;-4.64,-1.61,;-4.64,-3.16,;-3.31,-3.93,;2.04,-5.46,;.71,-6.23,;3.38,-6.23,;3.38,-7.77,;4.72,-8.54,;4.71,-10.08,;6.05,-10.83,;7.38,-10.06,;7.37,-8.52,;6.04,-7.75,;7.12,-6.66,;4.71,-5.46,;6.05,-6.21,)|
Show InChI InChI=1S/C25H22ClFN4O4/c1-35-21-13-7-12-20(22(21)27)31-24(33)29(14-17-10-5-6-11-18(17)26)23(32)30(25(31)34)15-19(28)16-8-3-2-4-9-16/h2-13,19H,14-15,28H2,1H3/t19-/m0/s1
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20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
In vitro ability to inhibit des-Gly[125I-Tyr, DLeu, NMeLeu,Pro-NEt]-GnRH radioligand binding to the cloned human GnRH receptor stably expressed in HE...


Bioorg Med Chem Lett 15: 3685-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.038
BindingDB Entry DOI: 10.7270/Q2DZ07TN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50168698
PNG
(1-[2-Amino-2-(2-fluoro-phenyl)-ethyl]-3-(2,6-diflu...)
Show SMILES COc1cccc(c1F)-n1c(=O)n(CC(N)c2ccccc2F)c(=O)n(Cc2c(F)cccc2F)c1=O |(8.06,2.56,;6.73,1.79,;6.73,.25,;8.07,-.52,;8.07,-2.08,;6.73,-2.85,;5.4,-2.08,;5.4,-.54,;4.07,.23,;4.07,-2.85,;2.74,-2.08,;2.74,-.54,;1.4,-2.85,;.07,-2.08,;-1.28,-2.83,;-1.28,-4.37,;-2.61,-2.06,;-3.92,-2.85,;-5.25,-2.08,;-5.27,-.54,;-3.92,.23,;-2.59,-.54,;-1.25,.23,;1.4,-4.39,;.07,-5.16,;2.74,-5.16,;2.73,-6.7,;4.07,-7.47,;5.39,-6.7,;4.04,-5.93,;6.72,-7.45,;6.73,-9.01,;5.39,-9.78,;4.06,-9.01,;2.71,-9.76,;4.07,-4.39,;5.4,-5.16,)|
Show InChI InChI=1S/C25H20F4N4O4/c1-37-21-11-5-10-20(22(21)29)33-24(35)31(12-15-17(27)8-4-9-18(15)28)23(34)32(25(33)36)13-19(30)14-6-2-3-7-16(14)26/h2-11,19H,12-13,30H2,1H3
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20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
In vitro ability to inhibit des-Gly[125I-Tyr, DLeu, NMeLeu,Pro-NEt]-GnRH radioligand binding to the cloned human GnRH receptor stably expressed in HE...


Bioorg Med Chem Lett 15: 3685-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.038
BindingDB Entry DOI: 10.7270/Q2DZ07TN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50168694
PNG
(1-((R)-2-Amino-2-phenyl-ethyl)-3-(2-bromo-6-fluoro...)
Show SMILES COc1cccc(c1F)-n1c(=O)n(C[C@H](N)c2ccccc2)c(=O)n(Cc2c(F)cccc2Br)c1=O |wD:14.15,(8.68,1.49,;7.35,.72,;7.36,-.82,;8.7,-1.59,;8.7,-3.13,;7.37,-3.9,;6.04,-3.13,;6.03,-1.61,;4.7,-.85,;4.71,-3.92,;3.37,-3.15,;3.37,-1.61,;2.04,-3.92,;.71,-3.15,;-.62,-3.93,;-1.4,-5.26,;-1.96,-3.16,;-3.31,-3.93,;-4.64,-3.16,;-4.64,-1.61,;-3.31,-.84,;-1.96,-1.61,;2.04,-5.46,;.71,-6.23,;3.38,-6.23,;3.38,-7.77,;4.72,-8.54,;6.04,-7.75,;7.12,-6.66,;7.37,-8.52,;7.38,-10.06,;6.05,-10.83,;4.71,-10.08,;3.38,-10.85,;4.71,-5.46,;6.05,-6.21,)|
Show InChI InChI=1S/C25H21BrF2N4O4/c1-36-21-12-6-11-20(22(21)28)32-24(34)30(13-16-17(26)9-5-10-18(16)27)23(33)31(25(32)35)14-19(29)15-7-3-2-4-8-15/h2-12,19H,13-14,29H2,1H3/t19-/m0/s1
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24n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition constant against monkey GnRH receptor


Bioorg Med Chem Lett 15: 3685-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.038
BindingDB Entry DOI: 10.7270/Q2DZ07TN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50168715
PNG
(1-((S)-3-Amino-3-phenyl-propyl)-3-(2,6-difluoro-be...)
Show SMILES COc1cccc(c1F)-n1c(=O)n(CC[C@H](N)c2ccccc2)c(=O)n(Cc2c(F)cccc2F)c1=O |wD:15.16,(10.27,2.14,;8.94,1.37,;8.94,-.17,;10.29,-.94,;10.29,-2.48,;8.94,-3.25,;7.61,-2.48,;7.61,-.94,;6.28,-.17,;6.28,-3.25,;4.95,-2.48,;4.95,-.94,;3.62,-3.25,;2.27,-4.02,;.94,-3.23,;-.39,-4,;-.41,-5.54,;-1.72,-3.2,;-3.05,-3.97,;-4.38,-3.2,;-4.36,-1.66,;-3.03,-.89,;-1.7,-1.66,;3.62,-4.79,;2.29,-5.56,;4.95,-5.56,;4.95,-7.1,;6.28,-7.87,;6.28,-9.41,;4.93,-10.18,;7.61,-10.18,;8.94,-9.41,;8.94,-7.87,;7.61,-7.1,;6.26,-6.33,;6.28,-4.79,;7.61,-5.56,)|
Show InChI InChI=1S/C26H23F3N4O4/c1-37-22-12-6-11-21(23(22)29)33-25(35)31(14-13-20(30)16-7-3-2-4-8-16)24(34)32(26(33)36)15-17-18(27)9-5-10-19(17)28/h2-12,20H,13-15,30H2,1H3/t20-/m0/s1
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24n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
In vitro ability to inhibit des-Gly[125I-Tyr, DLeu, NMeLeu,Pro-NEt]-GnRH radioligand binding to the cloned human GnRH receptor stably expressed in HE...


Bioorg Med Chem Lett 15: 3685-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.038
BindingDB Entry DOI: 10.7270/Q2DZ07TN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50168709
PNG
(1-(3-Amino-3-thiophen-2-yl-propyl)-3-(2,6-difluoro...)
Show SMILES COc1cccc(c1)-n1c(=O)n(CCC(N)c2cccs2)c(=O)n(Cc2c(F)cccc2F)c1=O
Show InChI InChI=1S/C24H22F2N4O4S/c1-34-16-6-2-5-15(13-16)30-23(32)28(11-10-20(27)21-9-4-12-35-21)22(31)29(24(30)33)14-17-18(25)7-3-8-19(17)26/h2-9,12-13,20H,10-11,14,27H2,1H3
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27n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
In vitro ability to inhibit des-Gly[125I-Tyr, DLeu, NMeLeu,Pro-NEt]-GnRH radioligand binding to the cloned human GnRH receptor stably expressed in HE...


Bioorg Med Chem Lett 15: 3685-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.038
BindingDB Entry DOI: 10.7270/Q2DZ07TN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50168719
PNG
(1-(3-Amino-2-phenyl-propyl)-3-(2,6-difluoro-benzyl...)
Show SMILES COc1cccc(c1)-n1c(=O)n(CC(CN)c2ccccc2)c(=O)n(Cc2c(F)cccc2F)c1=O
Show InChI InChI=1S/C26H24F2N4O4/c1-36-20-10-5-9-19(13-20)32-25(34)30(15-18(14-29)17-7-3-2-4-8-17)24(33)31(26(32)35)16-21-22(27)11-6-12-23(21)28/h2-13,18H,14-16,29H2,1H3
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28n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
In vitro ability to inhibit des-Gly[125I-Tyr, DLeu, NMeLeu,Pro-NEt]-GnRH radioligand binding to the cloned human GnRH receptor stably expressed in HE...


Bioorg Med Chem Lett 15: 3685-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.038
BindingDB Entry DOI: 10.7270/Q2DZ07TN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50168714
PNG
(1-((R)-2-Amino-2-phenyl-ethyl)-3-(2-fluoro-3-metho...)
Show SMILES COc1cccc(c1F)-n1c(=O)n(C[C@H](N)c2ccccc2)c(=O)n(Cc2ccccc2C)c1=O |wD:14.15,(9.48,1.54,;8.14,.75,;8.14,-.8,;9.5,-1.57,;9.5,-3.11,;8.17,-3.88,;6.84,-3.11,;6.83,-1.57,;5.48,-.8,;5.5,-3.89,;4.16,-3.12,;4.16,-1.57,;2.83,-3.89,;1.48,-3.12,;.15,-3.89,;-.62,-5.22,;-1.18,-3.12,;-1.18,-1.57,;-2.53,-.8,;-3.86,-1.57,;-3.86,-3.12,;-2.53,-3.89,;2.83,-5.43,;1.5,-6.2,;4.17,-6.2,;4.17,-7.75,;5.5,-8.52,;5.5,-10.06,;6.84,-10.83,;8.17,-10.05,;8.17,-8.5,;6.84,-7.72,;7.93,-6.64,;5.5,-5.43,;6.84,-6.2,)|
Show InChI InChI=1S/C26H25FN4O4/c1-17-9-6-7-12-19(17)15-29-24(32)30(16-20(28)18-10-4-3-5-11-18)26(34)31(25(29)33)21-13-8-14-22(35-2)23(21)27/h3-14,20H,15-16,28H2,1-2H3/t20-/m0/s1
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29n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
In vitro ability to inhibit des-Gly[125I-Tyr, DLeu, NMeLeu,Pro-NEt]-GnRH radioligand binding to the cloned human GnRH receptor stably expressed in HE...


Bioorg Med Chem Lett 15: 3685-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.038
BindingDB Entry DOI: 10.7270/Q2DZ07TN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50168712
PNG
(1-((R)-2-Amino-2-phenyl-ethyl)-3-(2,6-dichloro-ben...)
Show SMILES COc1cccc(c1F)-n1c(=O)n(C[C@H](N)c2ccccc2)c(=O)n(Cc2c(Cl)cccc2Cl)c1=O |wD:14.15,(8.68,1.49,;7.35,.72,;7.36,-.82,;8.7,-1.59,;8.7,-3.13,;7.37,-3.9,;6.04,-3.13,;6.03,-1.61,;4.7,-.85,;4.71,-3.92,;3.37,-3.15,;3.37,-1.61,;2.04,-3.92,;.71,-3.15,;-.62,-3.93,;-1.4,-5.26,;-1.96,-3.16,;-3.31,-3.93,;-4.64,-3.16,;-4.64,-1.61,;-3.31,-.84,;-1.96,-1.61,;2.04,-5.46,;.71,-6.23,;3.38,-6.23,;3.38,-7.77,;4.72,-8.54,;6.04,-7.75,;7.12,-6.66,;7.37,-8.52,;7.38,-10.06,;6.05,-10.83,;4.71,-10.08,;3.38,-10.85,;4.71,-5.46,;6.05,-6.21,)|
Show InChI InChI=1S/C25H21Cl2FN4O4/c1-36-21-12-6-11-20(22(21)28)32-24(34)30(13-16-17(26)9-5-10-18(16)27)23(33)31(25(32)35)14-19(29)15-7-3-2-4-8-15/h2-12,19H,13-14,29H2,1H3/t19-/m0/s1
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36n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
In vitro ability to inhibit des-Gly[125I-Tyr, DLeu, NMeLeu,Pro-NEt]-GnRH radioligand binding to the cloned human GnRH receptor stably expressed in HE...


Bioorg Med Chem Lett 15: 3685-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.038
BindingDB Entry DOI: 10.7270/Q2DZ07TN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50160239
PNG
((R)-1-(2,6-difluorobenzyl)-3-(2-amino-2-phenylethy...)
Show SMILES COc1cccc(c1)-n1c(=O)n(C[C@H](N)c2ccccc2)c(=O)n(Cc2c(F)cccc2F)c1=O |r|
Show InChI InChI=1S/C25H22F2N4O4/c1-35-18-10-5-9-17(13-18)31-24(33)29(14-19-20(26)11-6-12-21(19)27)23(32)30(25(31)34)15-22(28)16-7-3-2-4-8-16/h2-13,22H,14-15,28H2,1H3/t22-/m0/s1
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37n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
In vitro ability to inhibit des-Gly[125I-Tyr, DLeu, NMeLeu,Pro-NEt]-GnRH radioligand binding to the cloned human GnRH receptor stably expressed in HE...


Bioorg Med Chem Lett 15: 3685-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.038
BindingDB Entry DOI: 10.7270/Q2DZ07TN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50168696
PNG
(1-((R)-2-Amino-2-phenyl-ethyl)-3-(2-chloro-pyridin...)
Show SMILES COc1cccc(c1F)-n1c(=O)n(C[C@H](N)c2ccccc2)c(=O)n(Cc2cccnc2Cl)c1=O |wD:14.15,(8.68,1.49,;7.35,.72,;7.36,-.82,;8.7,-1.59,;8.7,-3.13,;7.37,-3.9,;6.04,-3.13,;6.03,-1.61,;4.7,-.85,;4.71,-3.92,;3.37,-3.15,;3.37,-1.61,;2.04,-3.92,;.71,-3.15,;-.62,-3.93,;-1.4,-5.26,;-1.96,-3.16,;-1.96,-1.61,;-3.31,-.84,;-4.64,-1.61,;-4.64,-3.16,;-3.31,-3.93,;2.04,-5.46,;.71,-6.23,;3.38,-6.23,;3.38,-7.77,;4.72,-8.54,;4.71,-10.08,;6.05,-10.83,;7.38,-10.06,;7.37,-8.52,;6.04,-7.75,;7.12,-6.66,;4.71,-5.46,;6.05,-6.21,)|
Show InChI InChI=1S/C24H21ClFN5O4/c1-35-19-11-5-10-18(20(19)26)31-23(33)29(13-16-9-6-12-28-21(16)25)22(32)30(24(31)34)14-17(27)15-7-3-2-4-8-15/h2-12,17H,13-14,27H2,1H3/t17-/m0/s1
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66n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
In vitro ability to inhibit des-Gly[125I-Tyr, DLeu, NMeLeu,Pro-NEt]-GnRH radioligand binding to the cloned human GnRH receptor stably expressed in HE...


Bioorg Med Chem Lett 15: 3685-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.038
BindingDB Entry DOI: 10.7270/Q2DZ07TN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50168711
PNG
(1-[3-Amino-3-(3-fluoro-phenyl)-propyl]-3-(2,6-difl...)
Show SMILES COc1cccc(c1)-n1c(=O)n(CCC(N)c2cccc(F)c2)c(=O)n(Cc2c(F)cccc2F)c1=O
Show InChI InChI=1S/C26H23F3N4O4/c1-37-19-8-3-7-18(14-19)33-25(35)31(12-11-23(30)16-5-2-6-17(27)13-16)24(34)32(26(33)36)15-20-21(28)9-4-10-22(20)29/h2-10,13-14,23H,11-12,15,30H2,1H3
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66n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
In vitro ability to inhibit des-Gly[125I-Tyr, DLeu, NMeLeu,Pro-NEt]-GnRH radioligand binding to the cloned human GnRH receptor stably expressed in HE...


Bioorg Med Chem Lett 15: 3685-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.038
BindingDB Entry DOI: 10.7270/Q2DZ07TN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50168704
PNG
(1-(3-Amino-3-phenyl-propyl)-3-(2,6-difluoro-benzyl...)
Show SMILES COc1cccc(c1)-n1c(=O)n(CCC(N)c2ccccc2)c(=O)n(Cc2c(F)cccc2F)c1=O
Show InChI InChI=1S/C26H24F2N4O4/c1-36-19-10-5-9-18(15-19)32-25(34)30(14-13-23(29)17-7-3-2-4-8-17)24(33)31(26(32)35)16-20-21(27)11-6-12-22(20)28/h2-12,15,23H,13-14,16,29H2,1H3
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70n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
In vitro ability to inhibit des-Gly[125I-Tyr, DLeu, NMeLeu,Pro-NEt]-GnRH radioligand binding to the cloned human GnRH receptor stably expressed in HE...


Bioorg Med Chem Lett 15: 3685-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.038
BindingDB Entry DOI: 10.7270/Q2DZ07TN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50168706
PNG
(2-[3-((R)-2-Amino-2-phenyl-ethyl)-5-(2-fluoro-3-me...)
Show SMILES COc1cccc(c1F)-n1c(=O)n(C[C@H](N)c2ccccc2)c(=O)n(Cc2c(Cl)cccc2C#N)c1=O |wD:14.15,(8.68,1.49,;7.35,.72,;7.36,-.82,;8.7,-1.59,;8.7,-3.13,;7.37,-3.9,;6.04,-3.13,;6.03,-1.61,;4.7,-.85,;4.71,-3.92,;3.37,-3.15,;3.37,-1.61,;2.04,-3.92,;.71,-3.15,;-.62,-3.93,;-1.4,-5.26,;-1.96,-3.16,;-1.96,-1.61,;-3.31,-.84,;-4.64,-1.61,;-4.64,-3.16,;-3.31,-3.93,;2.04,-5.46,;.71,-6.23,;3.38,-6.23,;3.38,-7.77,;4.72,-8.54,;4.71,-10.08,;3.38,-10.85,;6.05,-10.83,;7.38,-10.06,;7.37,-8.52,;6.04,-7.75,;7.12,-6.66,;8.22,-5.56,;4.71,-5.46,;6.05,-6.21,)|
Show InChI InChI=1S/C26H21ClFN5O4/c1-37-22-12-6-11-21(23(22)28)33-25(35)31(14-18-17(13-29)9-5-10-19(18)27)24(34)32(26(33)36)15-20(30)16-7-3-2-4-8-16/h2-12,20H,14-15,30H2,1H3/t20-/m0/s1
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73n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
In vitro ability to inhibit des-Gly[125I-Tyr, DLeu, NMeLeu,Pro-NEt]-GnRH radioligand binding to the cloned human GnRH receptor stably expressed in HE...


Bioorg Med Chem Lett 15: 3685-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.038
BindingDB Entry DOI: 10.7270/Q2DZ07TN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50168713
PNG
(1-(3-Amino-3-o-tolyl-propyl)-3-(2,6-difluoro-benzy...)
Show SMILES COc1cccc(c1)-n1c(=O)n(CCC(N)c2ccccc2C)c(=O)n(Cc2c(F)cccc2F)c1=O
Show InChI InChI=1S/C27H26F2N4O4/c1-17-7-3-4-10-20(17)24(30)13-14-31-25(34)32(16-21-22(28)11-6-12-23(21)29)27(36)33(26(31)35)18-8-5-9-19(15-18)37-2/h3-12,15,24H,13-14,16,30H2,1-2H3
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75n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
In vitro ability to inhibit des-Gly[125I-Tyr, DLeu, NMeLeu,Pro-NEt]-GnRH radioligand binding to the cloned human GnRH receptor stably expressed in HE...


Bioorg Med Chem Lett 15: 3685-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.038
BindingDB Entry DOI: 10.7270/Q2DZ07TN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50168707
PNG
(1-[3-Amino-3-(4-fluoro-phenyl)-propyl]-3-(2,6-difl...)
Show SMILES COc1cccc(c1)-n1c(=O)n(CCC(N)c2ccc(F)cc2)c(=O)n(Cc2c(F)cccc2F)c1=O
Show InChI InChI=1S/C26H23F3N4O4/c1-37-19-5-2-4-18(14-19)33-25(35)31(13-12-23(30)16-8-10-17(27)11-9-16)24(34)32(26(33)36)15-20-21(28)6-3-7-22(20)29/h2-11,14,23H,12-13,15,30H2,1H3
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83n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
In vitro ability to inhibit des-Gly[125I-Tyr, DLeu, NMeLeu,Pro-NEt]-GnRH radioligand binding to the cloned human GnRH receptor stably expressed in HE...


Bioorg Med Chem Lett 15: 3685-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.038
BindingDB Entry DOI: 10.7270/Q2DZ07TN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50168695
PNG
(2-[3-((R)-2-Amino-2-phenyl-ethyl)-5-(2-fluoro-3-me...)
Show SMILES COc1cccc(c1F)-n1c(=O)n(C[C@H](N)c2ccccc2)c(=O)n(Cc2ccccc2C#N)c1=O |wD:14.15,(8.68,1.49,;7.35,.72,;7.36,-.82,;8.7,-1.59,;8.7,-3.13,;7.37,-3.9,;6.04,-3.13,;6.03,-1.61,;4.7,-.85,;4.71,-3.92,;3.37,-3.15,;3.37,-1.61,;2.04,-3.92,;.71,-3.15,;-.62,-3.93,;-1.4,-5.26,;-1.96,-3.16,;-3.31,-3.93,;-4.64,-3.16,;-4.64,-1.61,;-3.31,-.84,;-1.96,-1.61,;2.04,-5.46,;.71,-6.23,;3.38,-6.23,;3.38,-7.77,;4.72,-8.54,;4.71,-10.08,;6.05,-10.83,;7.38,-10.06,;7.37,-8.52,;6.04,-7.75,;7.12,-6.66,;8.22,-5.56,;4.71,-5.46,;6.05,-6.21,)|
Show InChI InChI=1S/C26H22FN5O4/c1-36-22-13-7-12-21(23(22)27)32-25(34)30(15-19-11-6-5-10-18(19)14-28)24(33)31(26(32)35)16-20(29)17-8-3-2-4-9-17/h2-13,20H,15-16,29H2,1H3/t20-/m0/s1
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86n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition constant against monkey GnRH receptor


Bioorg Med Chem Lett 15: 3685-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.038
BindingDB Entry DOI: 10.7270/Q2DZ07TN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50168721
PNG
(1-((R)-2-Amino-2-phenyl-ethyl)-3-(2-fluoro-3-metho...)
Show SMILES COc1cccc(c1F)-n1c(=O)n(C[C@H](N)c2ccccc2)c(=O)n(Cc2ccccc2OC)c1=O |wD:14.15,(8.86,1.49,;7.53,.72,;7.54,-.83,;8.88,-1.6,;8.88,-3.14,;7.55,-3.91,;6.22,-3.14,;6.22,-1.61,;4.88,-.85,;4.89,-3.92,;3.56,-3.15,;3.56,-1.61,;2.23,-3.92,;.89,-3.15,;-.44,-3.93,;-1.23,-5.26,;-1.79,-3.16,;-3.12,-3.93,;-4.45,-3.16,;-4.45,-1.61,;-3.12,-.84,;-1.79,-1.61,;2.23,-5.46,;.9,-6.23,;3.56,-6.23,;3.56,-7.78,;4.9,-8.55,;4.89,-10.09,;6.23,-10.84,;7.57,-10.07,;7.55,-8.53,;6.22,-7.76,;7.32,-6.66,;8.8,-7.05,;4.89,-5.46,;6.23,-6.22,)|
Show InChI InChI=1S/C26H25FN4O5/c1-35-21-13-7-6-11-18(21)15-29-24(32)30(16-19(28)17-9-4-3-5-10-17)26(34)31(25(29)33)20-12-8-14-22(36-2)23(20)27/h3-14,19H,15-16,28H2,1-2H3/t19-/m0/s1
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120n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
In vitro ability to inhibit des-Gly[125I-Tyr, DLeu, NMeLeu,Pro-NEt]-GnRH radioligand binding to the cloned human GnRH receptor stably expressed in HE...


Bioorg Med Chem Lett 15: 3685-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.038
BindingDB Entry DOI: 10.7270/Q2DZ07TN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50168702
PNG
(1-[2-Amino-2-(2-fluoro-phenyl)-ethyl]-3-(2,6-diflu...)
Show SMILES COc1cccc(c1)-n1c(=O)n(CC(N)c2ccccc2F)c(=O)n(Cc2c(F)cccc2F)c1=O
Show InChI InChI=1S/C25H21F3N4O4/c1-36-16-7-4-6-15(12-16)32-24(34)30(13-18-20(27)10-5-11-21(18)28)23(33)31(25(32)35)14-22(29)17-8-2-3-9-19(17)26/h2-12,22H,13-14,29H2,1H3
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120n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
In vitro ability to inhibit des-Gly[125I-Tyr, DLeu, NMeLeu,Pro-NEt]-GnRH radioligand binding to the cloned human GnRH receptor stably expressed in HE...


Bioorg Med Chem Lett 15: 3685-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.038
BindingDB Entry DOI: 10.7270/Q2DZ07TN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50168699
PNG
(1-[3-Amino-3-(2-chloro-phenyl)-propyl]-3-(2,6-difl...)
Show SMILES COc1cccc(c1)-n1c(=O)n(CCC(N)c2ccccc2Cl)c(=O)n(Cc2c(F)cccc2F)c1=O
Show InChI InChI=1S/C26H23ClF2N4O4/c1-37-17-7-4-6-16(14-17)33-25(35)31(13-12-23(30)18-8-2-3-9-20(18)27)24(34)32(26(33)36)15-19-21(28)10-5-11-22(19)29/h2-11,14,23H,12-13,15,30H2,1H3
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180n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
In vitro ability to inhibit des-Gly[125I-Tyr, DLeu, NMeLeu,Pro-NEt]-GnRH radioligand binding to the cloned human GnRH receptor stably expressed in HE...


Bioorg Med Chem Lett 15: 3685-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.038
BindingDB Entry DOI: 10.7270/Q2DZ07TN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50168703
PNG
(1-((R)-2-Amino-2-phenyl-ethyl)-3-(2-fluoro-3-metho...)
Show SMILES COc1cccc(c1F)-n1c(=O)n(C[C@H](N)c2ccccc2)c(=O)n(Cc2ccccc2OC(F)(F)F)c1=O |wD:14.15,(8.68,1.49,;7.35,.72,;7.36,-.82,;8.7,-1.59,;8.7,-3.13,;7.37,-3.9,;6.04,-3.13,;6.03,-1.61,;4.7,-.85,;4.71,-3.92,;3.37,-3.15,;3.37,-1.61,;2.04,-3.92,;.71,-3.15,;-.62,-3.93,;-1.4,-5.26,;-1.96,-3.16,;-1.96,-1.61,;-3.31,-.84,;-4.64,-1.61,;-4.64,-3.16,;-3.31,-3.93,;2.04,-5.46,;.71,-6.23,;3.38,-6.23,;3.38,-7.77,;4.72,-8.54,;4.71,-10.08,;6.05,-10.83,;7.38,-10.06,;7.37,-8.52,;6.04,-7.75,;7.12,-6.66,;8.62,-7.05,;9.69,-5.95,;9.03,-8.52,;10.16,-7.03,;4.71,-5.46,;6.05,-6.21,)|
Show InChI InChI=1S/C26H22F4N4O5/c1-38-21-13-7-11-19(22(21)27)34-24(36)32(14-17-10-5-6-12-20(17)39-26(28,29)30)23(35)33(25(34)37)15-18(31)16-8-3-2-4-9-16/h2-13,18H,14-15,31H2,1H3/t18-/m0/s1
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240n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition constant against monkey GnRH receptor


Bioorg Med Chem Lett 15: 3685-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.038
BindingDB Entry DOI: 10.7270/Q2DZ07TN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50168720
PNG
(1-(3-Amino-3-pyridin-3-yl-propyl)-3-(2,6-difluoro-...)
Show SMILES COc1cccc(c1)-n1c(=O)n(CCC(N)c2cccnc2)c(=O)n(Cc2c(F)cccc2F)c1=O
Show InChI InChI=1S/C25H23F2N5O4/c1-36-18-7-2-6-17(13-18)32-24(34)30(12-10-22(28)16-5-4-11-29-14-16)23(33)31(25(32)35)15-19-20(26)8-3-9-21(19)27/h2-9,11,13-14,22H,10,12,15,28H2,1H3
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580n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
In vitro ability to inhibit des-Gly[125I-Tyr, DLeu, NMeLeu,Pro-NEt]-GnRH radioligand binding to the cloned human GnRH receptor stably expressed in HE...


Bioorg Med Chem Lett 15: 3685-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.038
BindingDB Entry DOI: 10.7270/Q2DZ07TN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50168716
PNG
(1-(2-Amino-4-methyl-pentyl)-3-(2,6-difluoro-benzyl...)
Show SMILES COc1cccc(c1F)-n1c(=O)n(CC(N)CC(C)C)c(=O)n(Cc2c(F)cccc2F)c1=O |(8.06,2.56,;6.73,1.79,;6.73,.25,;8.07,-.52,;8.07,-2.08,;6.73,-2.85,;5.4,-2.08,;5.4,-.54,;4.07,.23,;4.07,-2.85,;2.74,-2.08,;2.74,-.54,;1.4,-2.85,;.07,-2.08,;-1.28,-2.83,;-1.28,-4.37,;-2.61,-2.06,;-3.94,-2.83,;-5.27,-2.06,;-3.94,-4.37,;1.4,-4.39,;.07,-5.16,;2.74,-5.16,;2.73,-6.7,;4.07,-7.47,;4.06,-9.01,;2.71,-9.76,;5.39,-9.78,;6.73,-9.01,;6.72,-7.45,;5.39,-6.7,;4.04,-5.93,;4.07,-4.39,;5.4,-5.16,)|
Show InChI InChI=1S/C23H25F3N4O4/c1-13(2)10-14(27)11-28-21(31)29(12-15-16(24)6-4-7-17(15)25)23(33)30(22(28)32)18-8-5-9-19(34-3)20(18)26/h4-9,13-14H,10-12,27H2,1-3H3
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620n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
In vitro ability to inhibit des-Gly[125I-Tyr, DLeu, NMeLeu,Pro-NEt]-GnRH radioligand binding to the cloned human GnRH receptor stably expressed in HE...


Bioorg Med Chem Lett 15: 3685-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.038
BindingDB Entry DOI: 10.7270/Q2DZ07TN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50168708
PNG
(1-((R)-2-Amino-2-phenyl-ethyl)-3-[1-(2,6-difluoro-...)
Show SMILES COc1cccc(c1F)-n1c(=O)n(C[C@H](N)c2ccccc2)c(=O)n(C(C)c2c(F)cccc2F)c1=O |wD:14.15,(8.68,1.49,;7.35,.72,;7.36,-.82,;8.7,-1.59,;8.7,-3.13,;7.37,-3.9,;6.04,-3.13,;6.03,-1.61,;4.7,-.85,;4.71,-3.92,;3.37,-3.15,;3.37,-1.61,;2.04,-3.92,;.71,-3.15,;-.62,-3.93,;-1.4,-5.26,;-1.96,-3.16,;-1.96,-1.61,;-3.31,-.84,;-4.64,-1.61,;-4.64,-3.16,;-3.31,-3.93,;2.04,-5.46,;.71,-6.23,;3.38,-6.23,;3.38,-7.77,;2.05,-8.54,;4.72,-8.54,;6.04,-7.75,;7.12,-6.66,;7.37,-8.52,;7.38,-10.06,;6.05,-10.83,;4.71,-10.08,;3.38,-10.85,;4.71,-5.46,;6.05,-6.21,)|
Show InChI InChI=1S/C26H23F3N4O4/c1-15(22-17(27)10-6-11-18(22)28)32-24(34)31(14-19(30)16-8-4-3-5-9-16)25(35)33(26(32)36)20-12-7-13-21(37-2)23(20)29/h3-13,15,19H,14,30H2,1-2H3/t15?,19-/m0/s1
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630n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
In vitro ability to inhibit des-Gly[125I-Tyr, DLeu, NMeLeu,Pro-NEt]-GnRH radioligand binding to the cloned human GnRH receptor stably expressed in HE...


Bioorg Med Chem Lett 15: 3685-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.038
BindingDB Entry DOI: 10.7270/Q2DZ07TN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50168717
PNG
(1-[3-Amino-3-(2-fluoro-phenyl)-propyl]-3-(2,6-difl...)
Show SMILES COc1cccc(c1)-n1c(=O)n(CCC(N)c2ccccc2F)c(=O)n(Cc2c(F)cccc2F)c1=O
Show InChI InChI=1S/C26H23F3N4O4/c1-37-17-7-4-6-16(14-17)33-25(35)31(13-12-23(30)18-8-2-3-9-20(18)27)24(34)32(26(33)36)15-19-21(28)10-5-11-22(19)29/h2-11,14,23H,12-13,15,30H2,1H3
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800n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
In vitro ability to inhibit des-Gly[125I-Tyr, DLeu, NMeLeu,Pro-NEt]-GnRH radioligand binding to the cloned human GnRH receptor stably expressed in HE...


Bioorg Med Chem Lett 15: 3685-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.038
BindingDB Entry DOI: 10.7270/Q2DZ07TN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50168718
PNG
(1-((R)-3-Amino-5-methyl-hexyl)-3-(2,6-difluoro-ben...)
Show SMILES COc1cccc(c1F)-n1c(=O)n(CC[C@H](N)CC(C)C)c(=O)n(Cc2c(F)cccc2F)c1=O |wD:15.16,(10.27,2.14,;8.94,1.37,;8.94,-.17,;10.29,-.94,;10.29,-2.48,;8.94,-3.25,;7.61,-2.48,;7.61,-.94,;6.28,-.17,;6.28,-3.25,;4.95,-2.48,;4.95,-.94,;3.62,-3.25,;2.27,-4.02,;.94,-3.23,;-.39,-4,;-.41,-5.54,;-1.72,-3.2,;-3.06,-3.97,;-4.39,-3.18,;-3.07,-5.51,;3.62,-4.79,;2.29,-5.56,;4.95,-5.56,;4.95,-7.1,;6.28,-7.87,;6.28,-9.41,;4.93,-10.18,;7.61,-10.18,;8.94,-9.41,;8.94,-7.87,;7.61,-7.1,;6.26,-6.33,;6.28,-4.79,;7.61,-5.56,)|
Show InChI InChI=1S/C24H27F3N4O4/c1-14(2)12-15(28)10-11-29-22(32)30(13-16-17(25)6-4-7-18(16)26)24(34)31(23(29)33)19-8-5-9-20(35-3)21(19)27/h4-9,14-15H,10-13,28H2,1-3H3/t15-/m0/s1
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1.50E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
In vitro ability to inhibit des-Gly[125I-Tyr, DLeu, NMeLeu,Pro-NEt]-GnRH radioligand binding to the cloned human GnRH receptor stably expressed in HE...


Bioorg Med Chem Lett 15: 3685-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.038
BindingDB Entry DOI: 10.7270/Q2DZ07TN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50168694
PNG
(1-((R)-2-Amino-2-phenyl-ethyl)-3-(2-bromo-6-fluoro...)
Show SMILES COc1cccc(c1F)-n1c(=O)n(C[C@H](N)c2ccccc2)c(=O)n(Cc2c(F)cccc2Br)c1=O |wD:14.15,(8.68,1.49,;7.35,.72,;7.36,-.82,;8.7,-1.59,;8.7,-3.13,;7.37,-3.9,;6.04,-3.13,;6.03,-1.61,;4.7,-.85,;4.71,-3.92,;3.37,-3.15,;3.37,-1.61,;2.04,-3.92,;.71,-3.15,;-.62,-3.93,;-1.4,-5.26,;-1.96,-3.16,;-3.31,-3.93,;-4.64,-3.16,;-4.64,-1.61,;-3.31,-.84,;-1.96,-1.61,;2.04,-5.46,;.71,-6.23,;3.38,-6.23,;3.38,-7.77,;4.72,-8.54,;6.04,-7.75,;7.12,-6.66,;7.37,-8.52,;7.38,-10.06,;6.05,-10.83,;4.71,-10.08,;3.38,-10.85,;4.71,-5.46,;6.05,-6.21,)|
Show InChI InChI=1S/C25H21BrF2N4O4/c1-36-21-12-6-11-20(22(21)28)32-24(34)30(13-16-17(26)9-5-10-18(16)27)23(33)31(25(32)35)14-19(29)15-7-3-2-4-8-15/h2-12,19H,13-14,29H2,1H3/t19-/m0/s1
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2.30E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition constant against rat GnRH receptor


Bioorg Med Chem Lett 15: 3685-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.038
BindingDB Entry DOI: 10.7270/Q2DZ07TN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50168703
PNG
(1-((R)-2-Amino-2-phenyl-ethyl)-3-(2-fluoro-3-metho...)
Show SMILES COc1cccc(c1F)-n1c(=O)n(C[C@H](N)c2ccccc2)c(=O)n(Cc2ccccc2OC(F)(F)F)c1=O |wD:14.15,(8.68,1.49,;7.35,.72,;7.36,-.82,;8.7,-1.59,;8.7,-3.13,;7.37,-3.9,;6.04,-3.13,;6.03,-1.61,;4.7,-.85,;4.71,-3.92,;3.37,-3.15,;3.37,-1.61,;2.04,-3.92,;.71,-3.15,;-.62,-3.93,;-1.4,-5.26,;-1.96,-3.16,;-1.96,-1.61,;-3.31,-.84,;-4.64,-1.61,;-4.64,-3.16,;-3.31,-3.93,;2.04,-5.46,;.71,-6.23,;3.38,-6.23,;3.38,-7.77,;4.72,-8.54,;4.71,-10.08,;6.05,-10.83,;7.38,-10.06,;7.37,-8.52,;6.04,-7.75,;7.12,-6.66,;8.62,-7.05,;9.69,-5.95,;9.03,-8.52,;10.16,-7.03,;4.71,-5.46,;6.05,-6.21,)|
Show InChI InChI=1S/C26H22F4N4O5/c1-38-21-13-7-11-19(22(21)27)34-24(36)32(14-17-10-5-6-12-20(17)39-26(28,29)30)23(35)33(25(34)37)15-18(31)16-8-3-2-4-9-16/h2-13,18H,14-15,31H2,1H3/t18-/m0/s1
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PubMed
9.40E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition constant against rat GnRH receptor


Bioorg Med Chem Lett 15: 3685-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.038
BindingDB Entry DOI: 10.7270/Q2DZ07TN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50168710
PNG
(1-((R)-2-Amino-2-phenyl-ethyl)-3-cyclohexylmethyl-...)
Show SMILES COc1cccc(c1F)-n1c(=O)n(C[C@H](N)c2ccccc2)c(=O)n(CC2CCCCC2)c1=O |wD:14.15,(9.48,1.54,;8.14,.75,;8.14,-.8,;9.5,-1.57,;9.5,-3.11,;8.17,-3.88,;6.84,-3.11,;6.83,-1.57,;5.48,-.8,;5.5,-3.89,;4.16,-3.12,;4.16,-1.57,;2.83,-3.89,;1.48,-3.12,;.15,-3.89,;-.62,-5.22,;-1.18,-3.12,;-1.18,-1.57,;-2.53,-.8,;-3.86,-1.57,;-3.86,-3.12,;-2.53,-3.89,;2.83,-5.43,;1.5,-6.2,;4.17,-6.2,;4.17,-7.75,;2.84,-8.52,;2.84,-10.06,;1.5,-10.83,;.17,-10.05,;.17,-8.51,;1.5,-7.75,;5.5,-5.43,;6.84,-6.2,)|
Show InChI InChI=1S/C25H29FN4O4/c1-34-21-14-8-13-20(22(21)26)30-24(32)28(15-17-9-4-2-5-10-17)23(31)29(25(30)33)16-19(27)18-11-6-3-7-12-18/h3,6-8,11-14,17,19H,2,4-5,9-10,15-16,27H2,1H3/t19-/m0/s1
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
In vitro ability to inhibit des-Gly[125I-Tyr, DLeu, NMeLeu,Pro-NEt]-GnRH radioligand binding to the cloned human GnRH receptor stably expressed in HE...


Bioorg Med Chem Lett 15: 3685-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.038
BindingDB Entry DOI: 10.7270/Q2DZ07TN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50168695
PNG
(2-[3-((R)-2-Amino-2-phenyl-ethyl)-5-(2-fluoro-3-me...)
Show SMILES COc1cccc(c1F)-n1c(=O)n(C[C@H](N)c2ccccc2)c(=O)n(Cc2ccccc2C#N)c1=O |wD:14.15,(8.68,1.49,;7.35,.72,;7.36,-.82,;8.7,-1.59,;8.7,-3.13,;7.37,-3.9,;6.04,-3.13,;6.03,-1.61,;4.7,-.85,;4.71,-3.92,;3.37,-3.15,;3.37,-1.61,;2.04,-3.92,;.71,-3.15,;-.62,-3.93,;-1.4,-5.26,;-1.96,-3.16,;-3.31,-3.93,;-4.64,-3.16,;-4.64,-1.61,;-3.31,-.84,;-1.96,-1.61,;2.04,-5.46,;.71,-6.23,;3.38,-6.23,;3.38,-7.77,;4.72,-8.54,;4.71,-10.08,;6.05,-10.83,;7.38,-10.06,;7.37,-8.52,;6.04,-7.75,;7.12,-6.66,;8.22,-5.56,;4.71,-5.46,;6.05,-6.21,)|
Show InChI InChI=1S/C26H22FN5O4/c1-36-22-13-7-12-21(23(22)27)32-25(34)30(15-19-11-6-5-10-18(19)14-28)24(33)31(26(32)35)16-20(29)17-8-3-2-4-9-17/h2-13,20H,15-16,29H2,1H3/t20-/m0/s1
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PubMed
1.30E+4n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition constant against rat GnRH receptor


Bioorg Med Chem Lett 15: 3685-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.038
BindingDB Entry DOI: 10.7270/Q2DZ07TN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50168694
PNG
(1-((R)-2-Amino-2-phenyl-ethyl)-3-(2-bromo-6-fluoro...)
Show SMILES COc1cccc(c1F)-n1c(=O)n(C[C@H](N)c2ccccc2)c(=O)n(Cc2c(F)cccc2Br)c1=O |wD:14.15,(8.68,1.49,;7.35,.72,;7.36,-.82,;8.7,-1.59,;8.7,-3.13,;7.37,-3.9,;6.04,-3.13,;6.03,-1.61,;4.7,-.85,;4.71,-3.92,;3.37,-3.15,;3.37,-1.61,;2.04,-3.92,;.71,-3.15,;-.62,-3.93,;-1.4,-5.26,;-1.96,-3.16,;-3.31,-3.93,;-4.64,-3.16,;-4.64,-1.61,;-3.31,-.84,;-1.96,-1.61,;2.04,-5.46,;.71,-6.23,;3.38,-6.23,;3.38,-7.77,;4.72,-8.54,;6.04,-7.75,;7.12,-6.66,;7.37,-8.52,;7.38,-10.06,;6.05,-10.83,;4.71,-10.08,;3.38,-10.85,;4.71,-5.46,;6.05,-6.21,)|
Show InChI InChI=1S/C25H21BrF2N4O4/c1-36-21-12-6-11-20(22(21)28)32-24(34)30(13-16-17(26)9-5-10-18(16)27)23(33)31(25(32)35)14-19(29)15-7-3-2-4-8-15/h2-12,19H,13-14,29H2,1H3/t19-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GnRH receptor stimulated inositol phosphate accumulation in RBL cells


Bioorg Med Chem Lett 15: 3685-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.038
BindingDB Entry DOI: 10.7270/Q2DZ07TN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50168695
PNG
(2-[3-((R)-2-Amino-2-phenyl-ethyl)-5-(2-fluoro-3-me...)
Show SMILES COc1cccc(c1F)-n1c(=O)n(C[C@H](N)c2ccccc2)c(=O)n(Cc2ccccc2C#N)c1=O |wD:14.15,(8.68,1.49,;7.35,.72,;7.36,-.82,;8.7,-1.59,;8.7,-3.13,;7.37,-3.9,;6.04,-3.13,;6.03,-1.61,;4.7,-.85,;4.71,-3.92,;3.37,-3.15,;3.37,-1.61,;2.04,-3.92,;.71,-3.15,;-.62,-3.93,;-1.4,-5.26,;-1.96,-3.16,;-3.31,-3.93,;-4.64,-3.16,;-4.64,-1.61,;-3.31,-.84,;-1.96,-1.61,;2.04,-5.46,;.71,-6.23,;3.38,-6.23,;3.38,-7.77,;4.72,-8.54,;4.71,-10.08,;6.05,-10.83,;7.38,-10.06,;7.37,-8.52,;6.04,-7.75,;7.12,-6.66,;8.22,-5.56,;4.71,-5.46,;6.05,-6.21,)|
Show InChI InChI=1S/C26H22FN5O4/c1-36-22-13-7-12-21(23(22)27)32-25(34)30(15-19-11-6-5-10-18(19)14-28)24(33)31(26(32)35)16-20(29)17-8-3-2-4-9-17/h2-13,20H,15-16,29H2,1H3/t20-/m0/s1
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n/an/a 190n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GnRH receptor stimulated inositol phosphate accumulation in RBL cells


Bioorg Med Chem Lett 15: 3685-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.038
BindingDB Entry DOI: 10.7270/Q2DZ07TN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50168703
PNG
(1-((R)-2-Amino-2-phenyl-ethyl)-3-(2-fluoro-3-metho...)
Show SMILES COc1cccc(c1F)-n1c(=O)n(C[C@H](N)c2ccccc2)c(=O)n(Cc2ccccc2OC(F)(F)F)c1=O |wD:14.15,(8.68,1.49,;7.35,.72,;7.36,-.82,;8.7,-1.59,;8.7,-3.13,;7.37,-3.9,;6.04,-3.13,;6.03,-1.61,;4.7,-.85,;4.71,-3.92,;3.37,-3.15,;3.37,-1.61,;2.04,-3.92,;.71,-3.15,;-.62,-3.93,;-1.4,-5.26,;-1.96,-3.16,;-1.96,-1.61,;-3.31,-.84,;-4.64,-1.61,;-4.64,-3.16,;-3.31,-3.93,;2.04,-5.46,;.71,-6.23,;3.38,-6.23,;3.38,-7.77,;4.72,-8.54,;4.71,-10.08,;6.05,-10.83,;7.38,-10.06,;7.37,-8.52,;6.04,-7.75,;7.12,-6.66,;8.62,-7.05,;9.69,-5.95,;9.03,-8.52,;10.16,-7.03,;4.71,-5.46,;6.05,-6.21,)|
Show InChI InChI=1S/C26H22F4N4O5/c1-38-21-13-7-11-19(22(21)27)34-24(36)32(14-17-10-5-6-12-20(17)39-26(28,29)30)23(35)33(25(34)37)15-18(31)16-8-3-2-4-9-16/h2-13,18H,14-15,31H2,1H3/t18-/m0/s1
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n/an/a 480n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GnRH receptor stimulated inositol phosphate accumulation in RBL cells


Bioorg Med Chem Lett 15: 3685-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.038
BindingDB Entry DOI: 10.7270/Q2DZ07TN
More data for this
Ligand-Target Pair