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Compile Data Set for Download or QSAR

Found 44 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50037287   
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))		BDBM50140110
PNG
((R)-1-(2,6-difluorobenzyl)-5-(2-fluoro-3-methoxyph...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](C)NCc2ccccn2)c1=O |r,wU:26.28,(4.78,5.66,;3.45,4.89,;3.45,3.35,;4.79,2.58,;4.79,1.04,;3.45,.27,;2.12,1.05,;2.12,2.58,;.79,3.35,;.79,.29,;.79,-1.25,;2.12,-2.02,;-.54,-2.01,;-.54,-3.55,;.8,-4.32,;2.12,-3.56,;.78,-2.78,;3.45,-4.32,;3.46,-5.87,;2.12,-6.64,;.79,-5.87,;-.55,-6.63,;-1.87,-1.25,;-3.2,-2.02,;-1.87,.29,;-3.2,1.05,;-4.53,.28,;-4.53,-1.26,;-5.87,1.05,;-7.2,.27,;-8.54,1.04,;-9.86,.26,;-11.19,1.02,;-11.21,2.57,;-9.87,3.34,;-8.53,2.58,;-.54,1.07,;-.54,2.61,)|
Show InChI InChI=1S/C28H27F3N4O3/c1-17(33-14-19-8-4-5-13-32-19)15-35-27(36)25(20-9-6-12-24(38-3)26(20)31)18(2)34(28(35)37)16-21-22(29)10-7-11-23(21)30/h4-13,17,33H,14-16H2,1-3H3/t17-/m1/s1
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 1.10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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

J Med Chem 47: 1259-71 (2004)


Article DOI: 10.1021/jm030472z
BindingDB Entry DOI: 10.7270/Q2KD1ZNH
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50140096
PNG
(1-(2,6-Difluoro-benzyl)-5-(2-fluoro-3-methoxy-phen...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CCN(C)CCc2ccccn2)c1=O |(7.94,4.31,;6.59,3.52,;6.62,1.96,;7.97,1.2,;7.98,-.34,;6.64,-1.12,;5.31,-.36,;5.29,1.18,;4.18,2.29,;3.99,-1.15,;3.99,-2.69,;5.34,-3.44,;2.66,-3.46,;2.68,-5,;1.33,-5.78,;1.35,-7.31,;2.42,-8.39,;.03,-8.09,;-1.32,-7.32,;-1.33,-5.78,;.01,-5.01,;-1.11,-3.89,;1.33,-2.7,;,-3.47,;1.33,-1.16,;,-.39,;-1.34,-1.17,;-2.67,-.4,;-2.68,1.14,;-4,-1.18,;-5.35,-.41,;-6.67,-1.19,;-8.01,-.41,;-9.33,-1.19,;-9.33,-2.73,;-8.01,-3.51,;-6.67,-2.73,;2.65,-.38,;2.64,1.16,)|
Show InChI InChI=1S/C29H29F3N4O3/c1-19-26(21-9-6-12-25(39-3)27(21)32)28(37)35(17-16-34(2)15-13-20-8-4-5-14-33-20)29(38)36(19)18-22-23(30)10-7-11-24(22)31/h4-12,14H,13,15-18H2,1-3H3
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 3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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

J Med Chem 47: 1259-71 (2004)


Article DOI: 10.1021/jm030472z
BindingDB Entry DOI: 10.7270/Q2KD1ZNH
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50140111
PNG
((R)-1-(2,6-difluorobenzyl)-3-(1-(2-methoxybenzylam...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n([C@H](C)CNCc2ccccc2OC)c1=O |r,wU:25.27,(21.58,4.68,;20.25,3.91,;20.25,2.37,;21.59,1.59,;21.59,.05,;20.25,-.71,;18.92,.06,;18.92,1.6,;17.59,2.37,;17.59,-.7,;17.59,-2.24,;18.92,-3.01,;16.26,-3,;16.26,-4.54,;17.6,-5.31,;18.92,-4.54,;17.58,-3.77,;20.25,-5.31,;20.26,-6.85,;18.92,-7.62,;17.59,-6.85,;16.25,-7.62,;14.93,-2.24,;13.6,-3.01,;14.93,-.7,;13.6,.07,;13.59,1.61,;12.27,-.71,;10.93,.06,;10.93,1.6,;9.59,2.36,;8.27,1.59,;6.93,2.35,;6.92,3.9,;8.26,4.67,;9.59,3.91,;10.92,4.68,;12.26,3.91,;16.26,.08,;16.26,1.62,)|
Show InChI InChI=1S/C30H30F3N3O4/c1-18(15-34-16-20-9-5-6-13-25(20)39-3)36-29(37)27(21-10-7-14-26(40-4)28(21)33)19(2)35(30(36)38)17-22-23(31)11-8-12-24(22)32/h5-14,18,34H,15-17H2,1-4H3/t18-/m1/s1
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 3.90n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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

J Med Chem 47: 1259-71 (2004)


Article DOI: 10.1021/jm030472z
BindingDB Entry DOI: 10.7270/Q2KD1ZNH
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50140098
PNG
(1-(2,6-Difluoro-benzyl)-5-(2-fluoro-3-methoxy-phen...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](C)NCc2sccc2C)c1=O |wU:26.28,(9.6,-.48,;8.26,-1.28,;8.28,-2.84,;9.61,-3.59,;9.63,-5.13,;8.31,-5.91,;6.98,-5.14,;6.96,-3.6,;5.84,-2.49,;5.65,-5.92,;5.66,-7.46,;7,-8.23,;4.34,-8.24,;4.34,-9.77,;3,-10.56,;1.68,-9.77,;.58,-8.68,;.34,-10.56,;.34,-12.09,;1.69,-12.85,;3.01,-12.07,;4.1,-13.16,;2.99,-7.48,;1.66,-8.24,;2.99,-5.94,;1.66,-5.16,;1.66,-3.6,;3.01,-2.82,;.31,-2.84,;.31,-1.28,;-1.17,-.76,;-1.62,.73,;-3.18,.77,;-3.69,-.71,;-2.45,-1.64,;-2.45,-3.2,;4.31,-5.16,;4.3,-3.63,)|
Show InChI InChI=1S/C28H28F3N3O3S/c1-16-11-12-38-24(16)13-32-17(2)14-34-27(35)25(19-7-5-10-23(37-4)26(19)31)18(3)33(28(34)36)15-20-21(29)8-6-9-22(20)30/h5-12,17,32H,13-15H2,1-4H3/t17-/m0/s1
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 4n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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

J Med Chem 47: 1259-71 (2004)


Article DOI: 10.1021/jm030472z
BindingDB Entry DOI: 10.7270/Q2KD1ZNH
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50140109
PNG
(1-(2,6-Difluoro-benzyl)-3-[(S)-2-(1-ethyl-propylam...)
Show SMILES CCC(CC)N[C@@H](C)Cn1c(=O)c(c(C)n(Cc2c(F)cccc2F)c1=O)-c1cccc(OC)c1F |wU:6.6,(3.77,-1.23,;5.13,-.45,;6.48,-1.23,;7.83,-.43,;9.18,-1.22,;6.48,-2.8,;7.83,-3.56,;9.18,-2.78,;7.83,-5.13,;9.17,-5.91,;10.49,-5.13,;10.48,-3.59,;11.83,-5.88,;11.83,-7.42,;13.18,-8.18,;10.5,-8.2,;10.5,-9.74,;9.18,-10.53,;9.19,-12.04,;10.27,-13.13,;7.87,-12.82,;6.51,-12.07,;6.51,-10.53,;7.85,-9.74,;6.74,-8.65,;9.17,-7.45,;7.84,-8.2,;13.16,-5.1,;14.48,-5.88,;15.81,-5.09,;15.8,-3.55,;14.46,-2.8,;14.44,-1.23,;15.79,-.43,;13.13,-3.56,;11.78,-2.78,)|
Show InChI InChI=1S/C27H32F3N3O3/c1-6-18(7-2)31-16(3)14-33-26(34)24(19-10-8-13-23(36-5)25(19)30)17(4)32(27(33)35)15-20-21(28)11-9-12-22(20)29/h8-13,16,18,31H,6-7,14-15H2,1-5H3/t16-/m0/s1
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 4.10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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

J Med Chem 47: 1259-71 (2004)


Article DOI: 10.1021/jm030472z
BindingDB Entry DOI: 10.7270/Q2KD1ZNH
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50140103
PNG
((S)-1-(2,6-difluorobenzyl)-3-(2-(cyclopentylamino)...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](C)NC2CCCC2)c1=O |wU:26.28,(10.27,.16,;8.93,-.64,;8.94,-2.2,;10.29,-2.96,;10.31,-4.5,;8.98,-5.28,;7.64,-4.51,;7.63,-2.97,;6.5,-1.86,;6.31,-5.29,;6.33,-6.83,;7.66,-7.59,;5,-7.61,;5,-9.15,;3.66,-9.93,;3.68,-11.45,;4.75,-12.54,;2.35,-12.23,;1,-11.47,;1,-9.93,;2.33,-9.15,;1.23,-8.05,;3.66,-6.85,;2.33,-7.61,;3.66,-5.31,;2.32,-4.53,;2.32,-2.97,;3.67,-2.19,;.96,-2.2,;.96,-.64,;-.3,.28,;.17,1.77,;1.74,1.77,;2.23,.28,;4.98,-4.53,;4.96,-2.99,)|
Show InChI InChI=1S/C27H30F3N3O3/c1-16(31-18-8-4-5-9-18)14-33-26(34)24(19-10-6-13-23(36-3)25(19)30)17(2)32(27(33)35)15-20-21(28)11-7-12-22(20)29/h6-7,10-13,16,18,31H,4-5,8-9,14-15H2,1-3H3/t16-/m0/s1
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 4.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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

J Med Chem 47: 1259-71 (2004)


Article DOI: 10.1021/jm030472z
BindingDB Entry DOI: 10.7270/Q2KD1ZNH
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50140101
PNG
(3-[2-((S)-Cyclobutylamino)-propyl]-1-(2,6-difluoro...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CC(C)NC2CCC2)c1=O |(-.51,5.44,;.83,4.67,;.83,3.13,;-.51,2.35,;-.51,.8,;.83,.04,;2.16,.81,;2.16,2.35,;3.51,3.13,;3.49,.04,;3.49,-1.52,;2.16,-2.29,;4.84,-2.29,;4.85,-3.83,;6.18,-4.61,;6.18,-6.15,;4.85,-6.92,;7.51,-6.91,;8.85,-6.13,;8.85,-4.59,;7.51,-3.82,;8.93,-3.02,;6.17,-1.5,;7.51,-2.28,;6.16,.04,;7.49,.82,;8.84,.05,;10.17,.83,;10.11,-1.22,;11.44,-.43,;12.21,-1.76,;13.55,-.99,;12.77,.35,;4.82,.81,;4.82,2.35,)|
Show InChI InChI=1S/C26H28F3N3O3/c1-15(30-17-7-4-8-17)13-32-25(33)23(18-9-5-12-22(35-3)24(18)29)16(2)31(26(32)34)14-19-20(27)10-6-11-21(19)28/h5-6,9-12,15,17,30H,4,7-8,13-14H2,1-3H3
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 5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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

J Med Chem 47: 1259-71 (2004)


Article DOI: 10.1021/jm030472z
BindingDB Entry DOI: 10.7270/Q2KD1ZNH
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50140115
PNG
(1-(2,6-Difluoro-benzyl)-5-(2-fluoro-3-methoxy-phen...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n([C@H](C)CNCc2ccccc2C)c1=O |wD:25.27,(8.37,1.48,;7.04,.68,;7.05,-.88,;8.38,-1.64,;8.41,-3.17,;7.08,-3.95,;5.76,-3.17,;5.74,-1.65,;4.37,-.87,;4.43,-3.95,;4.44,-5.5,;5.78,-6.26,;3.12,-6.26,;3.12,-7.79,;1.79,-8.57,;.47,-7.79,;-.63,-6.71,;-.86,-8.57,;-.86,-10.1,;.48,-10.86,;1.8,-10.1,;2.89,-11.18,;1.78,-5.5,;.46,-6.27,;1.78,-3.97,;.46,-3.21,;-.89,-3.99,;.46,-1.65,;-.9,-.88,;-.9,.68,;.46,1.46,;1.79,.68,;3.14,1.45,;3.14,3.01,;1.78,3.79,;.43,3.01,;-.91,3.79,;3.1,-3.19,;3.09,-1.66,)|
Show InChI InChI=1S/C30H30F3N3O3/c1-18-9-5-6-10-21(18)16-34-15-19(2)36-29(37)27(22-11-7-14-26(39-4)28(22)33)20(3)35(30(36)38)17-23-24(31)12-8-13-25(23)32/h5-14,19,34H,15-17H2,1-4H3/t19-/m1/s1
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 7n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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

J Med Chem 47: 1259-71 (2004)


Article DOI: 10.1021/jm030472z
BindingDB Entry DOI: 10.7270/Q2KD1ZNH
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50140097
PNG
(1-(2,6-Difluoro-benzyl)-5-(2-fluoro-3-methoxy-phen...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](C)NCc2nccs2)c1=O |wD:26.28,(4.83,2.23,;3.49,1.44,;3.5,-.13,;4.84,-.88,;4.86,-2.42,;3.54,-3.2,;2.2,-2.44,;2.19,-.91,;1.07,.21,;.88,-3.22,;.88,-4.77,;2.23,-5.52,;-.44,-5.54,;-.44,-7.08,;-1.78,-7.86,;-3.1,-7.08,;-4.21,-5.97,;-4.44,-7.86,;-4.44,-9.4,;-3.09,-10.16,;-1.77,-9.38,;-.68,-10.47,;-1.79,-4.78,;-3.12,-5.55,;-1.79,-3.24,;-3.12,-2.47,;-3.12,-.91,;-1.77,-.13,;-4.47,-.13,;-4.47,1.44,;-5.96,1.94,;-7.24,1.06,;-8.47,2,;-7.97,3.47,;-6.41,3.45,;-.47,-2.46,;-.47,-.92,)|
Show InChI InChI=1S/C26H25F3N4O3S/c1-15(31-12-22-30-10-11-37-22)13-33-25(34)23(17-6-4-9-21(36-3)24(17)29)16(2)32(26(33)35)14-18-19(27)7-5-8-20(18)28/h4-11,15,31H,12-14H2,1-3H3/t15-/m1/s1
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 13n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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

J Med Chem 47: 1259-71 (2004)


Article DOI: 10.1021/jm030472z
BindingDB Entry DOI: 10.7270/Q2KD1ZNH
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50132729
PNG
((R)-1-(2,6-difluorobenzyl)-5-(3-methoxyphenyl)-6-m...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](C)NCc2ccccn2)c1=O |r|
Show InChI InChI=1S/C28H28F2N4O3/c1-18(32-15-21-9-4-5-13-31-21)16-34-27(35)26(20-8-6-10-22(14-20)37-3)19(2)33(28(34)36)17-23-24(29)11-7-12-25(23)30/h4-14,18,32H,15-17H2,1-3H3/t18-/m1/s1
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 15n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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

J Med Chem 47: 1259-71 (2004)


Article DOI: 10.1021/jm030472z
BindingDB Entry DOI: 10.7270/Q2KD1ZNH
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50140095
PNG
(1-(2,6-Difluoro-benzyl)-3-{(S)-2-[(5-ethyl-furan-2...)
Show SMILES CCc1ccc(CN[C@@H](C)Cn2c(=O)c(c(C)n(Cc3c(F)cccc3F)c2=O)-c2cccc(OC)c2F)o1 |wU:8.8,(-3.22,3.89,;-3.88,2.48,;-2.99,1.2,;-3.49,-.27,;-2.26,-1.2,;-.98,-.31,;.5,-.83,;.5,-2.39,;1.85,-3.16,;3.19,-2.38,;1.85,-4.72,;3.17,-5.48,;4.49,-4.7,;4.48,-3.17,;5.83,-5.46,;5.83,-7.01,;7.17,-7.77,;4.51,-7.77,;4.51,-9.3,;3.18,-10.08,;1.86,-9.3,;.76,-8.22,;.53,-10.08,;.53,-11.61,;1.87,-12.37,;3.19,-11.6,;4.28,-12.69,;3.17,-7.01,;1.85,-7.78,;7.15,-4.68,;8.48,-5.46,;9.8,-4.68,;9.77,-3.14,;8.44,-2.39,;8.43,-.83,;9.77,-.03,;7.13,-3.16,;6.01,-2.05,;-1.43,1.17,)|
Show InChI InChI=1S/C29H30F3N3O4/c1-5-19-12-13-20(39-19)14-33-17(2)15-35-28(36)26(21-8-6-11-25(38-4)27(21)32)18(3)34(29(35)37)16-22-23(30)9-7-10-24(22)31/h6-13,17,33H,5,14-16H2,1-4H3/t17-/m0/s1
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 15n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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

J Med Chem 47: 1259-71 (2004)


Article DOI: 10.1021/jm030472z
BindingDB Entry DOI: 10.7270/Q2KD1ZNH
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50132755
PNG
(1-(2,6-Difluoro-benzyl)-3-[(R)-2-(2-methoxy-benzyl...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n([C@H](C)CNCc2ccccc2OC)c1=O
Show InChI InChI=1S/C30H31F2N3O4/c1-19(16-33-17-22-9-5-6-14-27(22)39-4)35-29(36)28(21-10-7-11-23(15-21)38-3)20(2)34(30(35)37)18-24-25(31)12-8-13-26(24)32/h5-15,19,33H,16-18H2,1-4H3/t19-/m1/s1
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 20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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

J Med Chem 47: 1259-71 (2004)


Article DOI: 10.1021/jm030472z
BindingDB Entry DOI: 10.7270/Q2KD1ZNH
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50128007
PNG
(1-(2,6-difluoro-benzyl)-5-(2,3-dihydro-benzo[1,4]d...)
Show SMILES CN(CCc1ccccn1)CCn1c(=O)c(c(C)n(Cc2c(F)cccc2F)c1=O)-c1ccc2OCCOc2c1
Show InChI InChI=1S/C30H30F2N4O4/c1-20-28(21-9-10-26-27(18-21)40-17-16-39-26)29(37)35(15-14-34(2)13-11-22-6-3-4-12-33-22)30(38)36(20)19-23-24(31)7-5-8-25(23)32/h3-10,12,18H,11,13-17,19H2,1-2H3
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 24n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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

J Med Chem 47: 1259-71 (2004)


Article DOI: 10.1021/jm030472z
BindingDB Entry DOI: 10.7270/Q2KD1ZNH
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50140102
PNG
(3-((S)-2-Benzylamino-propyl)-1-(2,6-difluoro-benzy...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](C)NCc2ccccc2)c1=O |wU:26.28,(4.84,1.97,;3.5,1.18,;3.51,-.38,;4.84,-1.13,;4.87,-2.67,;3.55,-3.44,;2.23,-2.67,;2.2,-1.16,;1.09,-.05,;.9,-3.45,;.9,-5,;2.24,-5.76,;-.42,-5.76,;-.42,-7.3,;-1.74,-8.07,;-3.07,-7.3,;-4.17,-6.2,;-4.4,-8.07,;-4.39,-9.61,;-3.04,-10.36,;-1.74,-9.6,;-.65,-10.67,;-1.76,-5.01,;-3.08,-5.76,;-1.76,-3.48,;-3.08,-2.71,;-3.08,-1.16,;-1.74,-.36,;-4.43,-.38,;-4.43,1.18,;-5.9,1.69,;-6.2,3.22,;-7.67,3.73,;-8.84,2.7,;-8.55,1.17,;-7.07,.68,;-.44,-2.7,;-.44,-1.16,)|
Show InChI InChI=1S/C29H28F3N3O3/c1-18(33-15-20-9-5-4-6-10-20)16-35-28(36)26(21-11-7-14-25(38-3)27(21)32)19(2)34(29(35)37)17-22-23(30)12-8-13-24(22)31/h4-14,18,33H,15-17H2,1-3H3/t18-/m0/s1
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 25n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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

J Med Chem 47: 1259-71 (2004)


Article DOI: 10.1021/jm030472z
BindingDB Entry DOI: 10.7270/Q2KD1ZNH
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50132728
PNG
(1-(2,6-Difluoro-benzyl)-5-(3-methoxy-phenyl)-6-met...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CCN(C)CCc2ccccn2)c1=O
Show InChI InChI=1S/C29H30F2N4O3/c1-20-27(21-8-6-10-23(18-21)38-3)28(36)34(17-16-33(2)15-13-22-9-4-5-14-32-22)29(37)35(20)19-24-25(30)11-7-12-26(24)31/h4-12,14,18H,13,15-17,19H2,1-3H3
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 34n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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

J Med Chem 47: 1259-71 (2004)


Article DOI: 10.1021/jm030472z
BindingDB Entry DOI: 10.7270/Q2KD1ZNH
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50128012
PNG
(5-Benzo[1,3]dioxol-5-yl-1-(2,6-difluoro-benzyl)-6-...)
Show SMILES CN(CCc1ccccn1)CCn1c(=O)c(c(C)n(Cc2c(F)cccc2F)c1=O)-c1ccc2OCOc2c1
Show InChI InChI=1S/C29H28F2N4O4/c1-19-27(20-9-10-25-26(16-20)39-18-38-25)28(36)34(15-14-33(2)13-11-21-6-3-4-12-32-21)29(37)35(19)17-22-23(30)7-5-8-24(22)31/h3-10,12,16H,11,13-15,17-18H2,1-2H3
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 38n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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

J Med Chem 47: 1259-71 (2004)


Article DOI: 10.1021/jm030472z
BindingDB Entry DOI: 10.7270/Q2KD1ZNH
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50132746
PNG
(1-(2,6-Difluoro-benzyl)-5-(3-methoxy-phenyl)-6-met...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n([C@H](C)CNCc2ccccc2C)c1=O
Show InChI InChI=1S/C30H31F2N3O3/c1-19-9-5-6-10-23(19)17-33-16-20(2)35-29(36)28(22-11-7-12-24(15-22)38-4)21(3)34(30(35)37)18-25-26(31)13-8-14-27(25)32/h5-15,20,33H,16-18H2,1-4H3/t20-/m1/s1
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 70n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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

J Med Chem 47: 1259-71 (2004)


Article DOI: 10.1021/jm030472z
BindingDB Entry DOI: 10.7270/Q2KD1ZNH
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50132761
PNG
(3-((R)-2-Benzylamino-1-methyl-ethyl)-1-(2,6-difluo...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n([C@H](C)CNCc2ccccc2)c1=O
Show InChI InChI=1S/C29H29F2N3O3/c1-19(16-32-17-21-9-5-4-6-10-21)34-28(35)27(22-11-7-12-23(15-22)37-3)20(2)33(29(34)36)18-24-25(30)13-8-14-26(24)31/h4-15,19,32H,16-18H2,1-3H3/t19-/m1/s1
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 75n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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

J Med Chem 47: 1259-71 (2004)


Article DOI: 10.1021/jm030472z
BindingDB Entry DOI: 10.7270/Q2KD1ZNH
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50132745
PNG
(1-(2,6-Difluoro-benzyl)-5-(3-methoxy-phenyl)-6-met...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](C)NCCc2ccccn2)c1=O
Show InChI InChI=1S/C29H30F2N4O3/c1-19(32-15-13-22-9-4-5-14-33-22)17-35-28(36)27(21-8-6-10-23(16-21)38-3)20(2)34(29(35)37)18-24-25(30)11-7-12-26(24)31/h4-12,14,16,19,32H,13,15,17-18H2,1-3H3/t19-/m1/s1
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 79n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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

J Med Chem 47: 1259-71 (2004)


Article DOI: 10.1021/jm030472z
BindingDB Entry DOI: 10.7270/Q2KD1ZNH
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50140105
PNG
(1-(2,6-Difluoro-benzyl)-5-(2-fluoro-phenyl)-6-meth...)
Show SMILES CN(CCc1ccccn1)CCn1c(=O)c(c(C)n(Cc2c(F)cccc2F)c1=O)-c1ccccc1F |(-2.68,1.14,;-2.67,-.4,;-4,-1.18,;-5.35,-.41,;-6.67,-1.19,;-8.01,-.41,;-9.33,-1.19,;-9.33,-2.73,;-8.01,-3.51,;-6.67,-2.73,;-1.34,-1.17,;,-.39,;1.33,-1.16,;2.65,-.38,;2.64,1.16,;3.99,-1.15,;3.99,-2.69,;5.34,-3.44,;2.66,-3.46,;2.68,-5,;1.33,-5.78,;.01,-5.01,;-1.11,-3.89,;-1.33,-5.78,;-1.32,-7.32,;.03,-8.09,;1.35,-7.31,;2.42,-8.39,;1.33,-2.7,;,-3.47,;5.31,-.36,;6.64,-1.12,;7.98,-.34,;7.97,1.2,;6.62,1.96,;5.29,1.18,;4.18,2.29,)|
Show InChI InChI=1S/C28H27F3N4O2/c1-19-26(21-9-3-4-10-23(21)29)27(36)34(17-16-33(2)15-13-20-8-5-6-14-32-20)28(37)35(19)18-22-24(30)11-7-12-25(22)31/h3-12,14H,13,15-18H2,1-2H3
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 81n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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

J Med Chem 47: 1259-71 (2004)


Article DOI: 10.1021/jm030472z
BindingDB Entry DOI: 10.7270/Q2KD1ZNH
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50140118
PNG
(1-(2,6-Difluoro-benzyl)-5-(4-isopropyl-phenyl)-6-m...)
Show SMILES CC(C)c1ccc(cc1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CCN(C)CCc2ccccn2)c1=O
Show InChI InChI=1S/C31H34F2N4O2/c1-21(2)23-11-13-24(14-12-23)29-22(3)37(20-26-27(32)9-7-10-28(26)33)31(39)36(30(29)38)19-18-35(4)17-15-25-8-5-6-16-34-25/h5-14,16,21H,15,17-20H2,1-4H3
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 110n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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

J Med Chem 47: 1259-71 (2004)


Article DOI: 10.1021/jm030472z
BindingDB Entry DOI: 10.7270/Q2KD1ZNH
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50140100
PNG
(1-(2,6-Difluoro-benzyl)-6-methyl-3-{2-[methyl-(2-p...)
Show SMILES CSc1ccc(cc1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CCN(C)CCc2ccccn2)c1=O
Show InChI InChI=1S/C29H30F2N4O2S/c1-20-27(21-10-12-23(38-3)13-11-21)28(36)34(18-17-33(2)16-14-22-7-4-5-15-32-22)29(37)35(20)19-24-25(30)8-6-9-26(24)31/h4-13,15H,14,16-19H2,1-3H3
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 120n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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

J Med Chem 47: 1259-71 (2004)


Article DOI: 10.1021/jm030472z
BindingDB Entry DOI: 10.7270/Q2KD1ZNH
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50132721
PNG
(3-((R)-2-Benzylamino-propyl)-1-(2,6-difluoro-benzy...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](C)NCc2ccccc2)c1=O
Show InChI InChI=1S/C29H29F2N3O3/c1-19(32-16-21-9-5-4-6-10-21)17-34-28(35)27(22-11-7-12-23(15-22)37-3)20(2)33(29(34)36)18-24-25(30)13-8-14-26(24)31/h4-15,19,32H,16-18H2,1-3H3/t19-/m1/s1
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 130n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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

J Med Chem 47: 1259-71 (2004)


Article DOI: 10.1021/jm030472z
BindingDB Entry DOI: 10.7270/Q2KD1ZNH
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50132723
PNG
(3-((S)-2-Benzylamino-propyl)-1-(2,6-difluoro-benzy...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](C)NCc2ccccc2)c1=O
Show InChI InChI=1S/C29H29F2N3O3/c1-19(32-16-21-9-5-4-6-10-21)17-34-28(35)27(22-11-7-12-23(15-22)37-3)20(2)33(29(34)36)18-24-25(30)13-8-14-26(24)31/h4-15,19,32H,16-18H2,1-3H3/t19-/m0/s1
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 140n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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

J Med Chem 47: 1259-71 (2004)


Article DOI: 10.1021/jm030472z
BindingDB Entry DOI: 10.7270/Q2KD1ZNH
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50140119
PNG
(5-Dibenzofuran-2-yl-1-(2,6-difluoro-benzyl)-6-meth...)
Show SMILES CN(CCc1ccccn1)CCn1c(=O)c(-c2ccc3oc4ccccc4c3c2)c(C)n(Cc2c(F)cccc2F)c1=O
Show InChI InChI=1S/C34H30F2N4O3/c1-22-32(23-13-14-31-26(20-23)25-9-3-4-12-30(25)43-31)33(41)39(19-18-38(2)17-15-24-8-5-6-16-37-24)34(42)40(22)21-27-28(35)10-7-11-29(27)36/h3-14,16,20H,15,17-19,21H2,1-2H3
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 170n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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

J Med Chem 47: 1259-71 (2004)


Article DOI: 10.1021/jm030472z
BindingDB Entry DOI: 10.7270/Q2KD1ZNH
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50140108
PNG
(1-(2,6-Difluoro-benzyl)-6-methyl-3-{2-[methyl-(2-p...)
Show SMILES CN(CCc1ccccn1)CCn1c(=O)c(c(C)n(Cc2c(F)cccc2F)c1=O)-c1ccc(C)cc1
Show InChI InChI=1S/C29H30F2N4O2/c1-20-10-12-22(13-11-20)27-21(2)35(19-24-25(30)8-6-9-26(24)31)29(37)34(28(27)36)18-17-33(3)16-14-23-7-4-5-15-32-23/h4-13,15H,14,16-19H2,1-3H3
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 220n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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

J Med Chem 47: 1259-71 (2004)


Article DOI: 10.1021/jm030472z
BindingDB Entry DOI: 10.7270/Q2KD1ZNH
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50128009
PNG
(1-(2,6-Difluoro-benzyl)-5-(4-methoxy-phenyl)-6-met...)
Show SMILES COc1ccc(cc1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CCN(C)CCc2ccccn2)c1=O
Show InChI InChI=1S/C29H30F2N4O3/c1-20-27(21-10-12-23(38-3)13-11-21)28(36)34(18-17-33(2)16-14-22-7-4-5-15-32-22)29(37)35(20)19-24-25(30)8-6-9-26(24)31/h4-13,15H,14,16-19H2,1-3H3
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 230n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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

J Med Chem 47: 1259-71 (2004)


Article DOI: 10.1021/jm030472z
BindingDB Entry DOI: 10.7270/Q2KD1ZNH
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50140107
PNG
(1-(2,6-Difluoro-benzyl)-5-(3-isopropyl-phenyl)-6-m...)
Show SMILES CC(C)c1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CCN(C)CCc2ccccn2)c1=O
Show InChI InChI=1S/C31H34F2N4O2/c1-21(2)23-9-7-10-24(19-23)29-22(3)37(20-26-27(32)12-8-13-28(26)33)31(39)36(30(29)38)18-17-35(4)16-14-25-11-5-6-15-34-25/h5-13,15,19,21H,14,16-18,20H2,1-4H3
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 240n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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

J Med Chem 47: 1259-71 (2004)


Article DOI: 10.1021/jm030472z
BindingDB Entry DOI: 10.7270/Q2KD1ZNH
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50132747
PNG
(1-(2,6-Difluoro-benzyl)-3-[(S)-2-(2-methoxy-benzyl...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n([C@@H](C)CNCc2ccccc2OC)c1=O
Show InChI InChI=1S/C30H31F2N3O4/c1-19(16-33-17-22-9-5-6-14-27(22)39-4)35-29(36)28(21-10-7-11-23(15-21)38-3)20(2)34(30(35)37)18-24-25(31)12-8-13-26(24)32/h5-15,19,33H,16-18H2,1-4H3/t19-/m0/s1
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 320n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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

J Med Chem 47: 1259-71 (2004)


Article DOI: 10.1021/jm030472z
BindingDB Entry DOI: 10.7270/Q2KD1ZNH
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50140106
PNG
(1-(2,6-Difluoro-benzyl)-6-methyl-3-{2-[methyl-(2-p...)
Show SMILES CN(CCc1ccccn1)CCn1c(=O)c(c(C)n(Cc2c(F)cccc2F)c1=O)-c1ccc(C=C)cc1
Show InChI InChI=1S/C30H30F2N4O2/c1-4-22-11-13-23(14-12-22)28-21(2)36(20-25-26(31)9-7-10-27(25)32)30(38)35(29(28)37)19-18-34(3)17-15-24-8-5-6-16-33-24/h4-14,16H,1,15,17-20H2,2-3H3
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 340n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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

J Med Chem 47: 1259-71 (2004)


Article DOI: 10.1021/jm030472z
BindingDB Entry DOI: 10.7270/Q2KD1ZNH
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50140121
PNG
(5-(3-Chloro-phenyl)-1-(2,6-difluoro-benzyl)-6-meth...)
Show SMILES CN(CCc1ccccn1)CCn1c(=O)c(c(C)n(Cc2c(F)cccc2F)c1=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C28H27ClF2N4O2/c1-19-26(20-7-5-8-21(29)17-20)27(36)34(16-15-33(2)14-12-22-9-3-4-13-32-22)28(37)35(19)18-23-24(30)10-6-11-25(23)31/h3-11,13,17H,12,14-16,18H2,1-2H3
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 370n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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

J Med Chem 47: 1259-71 (2004)


Article DOI: 10.1021/jm030472z
BindingDB Entry DOI: 10.7270/Q2KD1ZNH
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50132763
PNG
(3-((S)-2-Benzylamino-1-methyl-ethyl)-1-(2,6-difluo...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n([C@@H](C)CNCc2ccccc2)c1=O
Show InChI InChI=1S/C29H29F2N3O3/c1-19(16-32-17-21-9-5-4-6-10-21)34-28(35)27(22-11-7-12-23(15-22)37-3)20(2)33(29(34)36)18-24-25(30)13-8-14-26(24)31/h4-15,19,32H,16-18H2,1-3H3/t19-/m0/s1
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 370n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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

J Med Chem 47: 1259-71 (2004)


Article DOI: 10.1021/jm030472z
BindingDB Entry DOI: 10.7270/Q2KD1ZNH
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50132767
PNG
(1-(2,6-Difluoro-benzyl)-5-(3-methoxy-phenyl)-6-met...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n([C@@H](C)CNCc2ccccc2C)c1=O
Show InChI InChI=1S/C30H31F2N3O3/c1-19-9-5-6-10-23(19)17-33-16-20(2)35-29(36)28(22-11-7-12-24(15-22)38-4)21(3)34(30(35)37)18-25-26(31)13-8-14-27(25)32/h5-15,20,33H,16-18H2,1-4H3/t20-/m0/s1
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 400n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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

J Med Chem 47: 1259-71 (2004)


Article DOI: 10.1021/jm030472z
BindingDB Entry DOI: 10.7270/Q2KD1ZNH
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50128011
PNG
(1-(2,6-Difluoro-benzyl)-6-methyl-3-{2-[methyl-(2-p...)
Show SMILES CN(CCc1ccccn1)CCn1c(=O)c(c(C)n(Cc2c(F)cccc2F)c1=O)-c1ccccc1
Show InChI InChI=1S/C28H28F2N4O2/c1-20-26(21-9-4-3-5-10-21)27(35)33(18-17-32(2)16-14-22-11-6-7-15-31-22)28(36)34(20)19-23-24(29)12-8-13-25(23)30/h3-13,15H,14,16-19H2,1-2H3
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 400n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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

J Med Chem 47: 1259-71 (2004)


Article DOI: 10.1021/jm030472z
BindingDB Entry DOI: 10.7270/Q2KD1ZNH
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50140114
PNG
(1-(2,6-Difluoro-benzyl)-6-methyl-3-{2-[methyl-(2-p...)
Show SMILES CN(CCc1ccccn1)CCn1c(=O)c(c(C)n(Cc2c(F)cccc2F)c1=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C32H30F2N4O2/c1-22-30(25-14-13-23-8-3-4-9-24(23)20-25)31(39)37(19-18-36(2)17-15-26-10-5-6-16-35-26)32(40)38(22)21-27-28(33)11-7-12-29(27)34/h3-14,16,20H,15,17-19,21H2,1-2H3
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 460n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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

J Med Chem 47: 1259-71 (2004)


Article DOI: 10.1021/jm030472z
BindingDB Entry DOI: 10.7270/Q2KD1ZNH
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50132742
PNG
(1-(2,6-Difluoro-benzyl)-5-(3-methoxy-phenyl)-6-met...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](C)NCc2ccccn2)c1=O
Show InChI InChI=1S/C28H28F2N4O3/c1-18(32-15-21-9-4-5-13-31-21)16-34-27(35)26(20-8-6-10-22(14-20)37-3)19(2)33(28(34)36)17-23-24(29)11-7-12-25(23)30/h4-14,18,32H,15-17H2,1-3H3/t18-/m0/s1
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 460n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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

J Med Chem 47: 1259-71 (2004)


Article DOI: 10.1021/jm030472z
BindingDB Entry DOI: 10.7270/Q2KD1ZNH
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50140112
PNG
(5-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-1-(2,6-difl...)
Show SMILES CN(CCc1ccccn1)CCn1c(=O)c(-c2ccc3OC(F)(F)Oc3c2)c(C)n(Cc2c(F)cccc2F)c1=O
Show InChI InChI=1S/C29H26F4N4O4/c1-18-26(19-9-10-24-25(16-19)41-29(32,33)40-24)27(38)36(15-14-35(2)13-11-20-6-3-4-12-34-20)28(39)37(18)17-21-22(30)7-5-8-23(21)31/h3-10,12,16H,11,13-15,17H2,1-2H3
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 470n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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

J Med Chem 47: 1259-71 (2004)


Article DOI: 10.1021/jm030472z
BindingDB Entry DOI: 10.7270/Q2KD1ZNH
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50140120
PNG
(1-(2,6-Difluoro-benzyl)-5-(4-ethoxy-phenyl)-6-meth...)
Show SMILES CCOc1ccc(cc1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CCN(C)CCc2ccccn2)c1=O
Show InChI InChI=1S/C30H32F2N4O3/c1-4-39-24-13-11-22(12-14-24)28-21(2)36(20-25-26(31)9-7-10-27(25)32)30(38)35(29(28)37)19-18-34(3)17-15-23-8-5-6-16-33-23/h5-14,16H,4,15,17-20H2,1-3H3
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 680n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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

J Med Chem 47: 1259-71 (2004)


Article DOI: 10.1021/jm030472z
BindingDB Entry DOI: 10.7270/Q2KD1ZNH
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50132734
PNG
(1-(2,6-Difluoro-benzyl)-5-(3-methoxy-phenyl)-6-met...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](C)NCCc2ccccn2)c1=O
Show InChI InChI=1S/C29H30F2N4O3/c1-19(32-15-13-22-9-4-5-14-33-22)17-35-28(36)27(21-8-6-10-23(16-21)38-3)20(2)34(29(35)37)18-24-25(30)11-7-12-26(24)31/h4-12,14,16,19,32H,13,15,17-18H2,1-3H3/t19-/m0/s1
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 780n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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

J Med Chem 47: 1259-71 (2004)


Article DOI: 10.1021/jm030472z
BindingDB Entry DOI: 10.7270/Q2KD1ZNH
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50140116
PNG
(1-(2,6-Difluoro-benzyl)-5-(3-fluoro-phenyl)-6-meth...)
Show SMILES CN(CCc1ccccn1)CCn1c(=O)c(c(C)n(Cc2c(F)cccc2F)c1=O)-c1cccc(F)c1
Show InChI InChI=1S/C28H27F3N4O2/c1-19-26(20-7-5-8-21(29)17-20)27(36)34(16-15-33(2)14-12-22-9-3-4-13-32-22)28(37)35(19)18-23-24(30)10-6-11-25(23)31/h3-11,13,17H,12,14-16,18H2,1-2H3
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 1.20E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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

J Med Chem 47: 1259-71 (2004)


Article DOI: 10.1021/jm030472z
BindingDB Entry DOI: 10.7270/Q2KD1ZNH
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50140113
PNG
(1-(2,6-Difluoro-benzyl)-5-(4-methoxymethyl-phenyl)...)
Show SMILES COCc1ccc(cc1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CCN(C)CCc2ccccn2)c1=O
Show InChI InChI=1S/C30H32F2N4O3/c1-21-28(23-12-10-22(11-13-23)20-39-3)29(37)35(18-17-34(2)16-14-24-7-4-5-15-33-24)30(38)36(21)19-25-26(31)8-6-9-27(25)32/h4-13,15H,14,16-20H2,1-3H3
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 1.40E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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

J Med Chem 47: 1259-71 (2004)


Article DOI: 10.1021/jm030472z
BindingDB Entry DOI: 10.7270/Q2KD1ZNH
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50140104
PNG
(1-(2,6-Difluoro-benzyl)-5-(3-methoxymethyl-phenyl)...)
Show SMILES COCc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CCN(C)CCc2ccccn2)c1=O
Show InChI InChI=1S/C30H32F2N4O3/c1-21-28(23-9-6-8-22(18-23)20-39-3)29(37)35(17-16-34(2)15-13-24-10-4-5-14-33-24)30(38)36(21)19-25-26(31)11-7-12-27(25)32/h4-12,14,18H,13,15-17,19-20H2,1-3H3
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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.50E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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

J Med Chem 47: 1259-71 (2004)


Article DOI: 10.1021/jm030472z
BindingDB Entry DOI: 10.7270/Q2KD1ZNH
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50140117
PNG
(1-(2,6-Difluoro-benzyl)-5-(3,4-dimethoxy-phenyl)-6...)
Show SMILES COc1ccc(cc1OC)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CCN(C)CCc2ccccn2)c1=O
Show InChI InChI=1S/C30H32F2N4O4/c1-20-28(21-11-12-26(39-3)27(18-21)40-4)29(37)35(17-16-34(2)15-13-22-8-5-6-14-33-22)30(38)36(20)19-23-24(31)9-7-10-25(23)32/h5-12,14,18H,13,15-17,19H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 4.80E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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

J Med Chem 47: 1259-71 (2004)


Article DOI: 10.1021/jm030472z
BindingDB Entry DOI: 10.7270/Q2KD1ZNH
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50140099
PNG
(1-(2,6-Difluoro-benzyl)-6-methyl-3-{2-[methyl-(2-p...)
Show SMILES COc1cc(cc(OC)c1OC)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CCN(C)CCc2ccccn2)c1=O
Show InChI InChI=1S/C31H34F2N4O5/c1-20-28(21-17-26(40-3)29(42-5)27(18-21)41-4)30(38)36(16-15-35(2)14-12-22-9-6-7-13-34-22)31(39)37(20)19-23-24(32)10-8-11-25(23)33/h6-11,13,17-18H,12,14-16,19H2,1-5H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.08E+4n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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

J Med Chem 47: 1259-71 (2004)


Article DOI: 10.1021/jm030472z
BindingDB Entry DOI: 10.7270/Q2KD1ZNH
More data for this
Ligand-Target Pair