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PubMed code 15715483

Compile data set for download or QSAR
Found 88 hits of Enzyme Inhibition Constant Data   
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 1 (GnRHR1)


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



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162007
PNG
((R)-1-(2,6-difluorobenzyl)-3-(2-amino-2-phenylethy...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O
Show InChI InChI=1S/C27H24F3N3O3/c1-16-24(18-10-6-13-23(36-2)25(18)30)26(34)33(15-22(31)17-8-4-3-5-9-17)27(35)32(16)14-19-20(28)11-7-12-21(19)29/h3-13,22H,14-15,31H2,1-2H3/t22-/m0/s1
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0.560n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


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



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50149263
PNG
(1-(2,6-Difluoro-benzyl)-5-(2-fluoro-3-methoxy-phen...)
Show SMILES CN[C@H](CC(C)C)Cn1c(=O)c(c(C)n(Cc2c(F)cccc2F)c1=O)-c1cccc(OC)c1F
Show InChI InChI=1S/C26H30F3N3O3/c1-15(2)12-17(30-4)13-32-25(33)23(18-8-6-11-22(35-5)24(18)29)16(3)31(26(32)34)14-19-20(27)9-7-10-21(19)28/h6-11,15,17,30H,12-14H2,1-5H3/t17-/m1/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 for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162003
PNG
(1-(2,6-Difluoro-benzyl)-5-(2-fluoro-3-methoxy-phen...)
Show SMILES CN[C@@H](Cn1c(=O)c(c(C)n(Cc2c(F)cccc2F)c1=O)-c1cccc(OC)c1F)c1ccccc1
Show InChI InChI=1S/C28H26F3N3O3/c1-17-25(19-11-7-14-24(37-3)26(19)31)27(35)34(16-23(32-2)18-9-5-4-6-10-18)28(36)33(17)15-20-21(29)12-8-13-22(20)30/h4-14,23,32H,15-16H2,1-3H3/t23-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50161500
PNG
((R)-1-(2,6-difluorobenzyl)-3-(2-amino-2-phenylethy...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O
Show InChI InChI=1S/C27H25F2N3O3/c1-17-25(19-10-6-11-20(14-19)35-2)26(33)32(16-24(30)18-8-4-3-5-9-18)27(34)31(17)15-21-22(28)12-7-13-23(21)29/h3-14,24H,15-16,30H2,1-2H3/t24-/m0/s1
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2.30n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162005
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-5-(2-chloro-phenyl)...)
Show SMILES Cc1c(-c2ccccc2Cl)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
Show InChI InChI=1S/C26H22ClF2N3O2/c1-16-24(18-10-5-6-11-20(18)27)25(33)32(15-23(30)17-8-3-2-4-9-17)26(34)31(16)14-19-21(28)12-7-13-22(19)29/h2-13,23H,14-15,30H2,1H3/t23-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162014
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-ben...)
Show SMILES Cc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O
Show InChI InChI=1S/C27H24F3N3O2/c1-16-8-6-11-19(25(16)30)24-17(2)32(14-20-21(28)12-7-13-22(20)29)27(35)33(26(24)34)15-23(31)18-9-4-3-5-10-18/h3-13,23H,14-15,31H2,1-2H3/t23-/m0/s1
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3.10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162023
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-5-(2-fluoro-phenyl)...)
Show SMILES Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1ccccc1C(F)(F)F
Show InChI InChI=1S/C27H23F4N3O2/c1-17-24(20-12-6-8-14-22(20)28)25(35)34(16-23(32)18-9-3-2-4-10-18)26(36)33(17)15-19-11-5-7-13-21(19)27(29,30)31/h2-14,23H,15-16,32H2,1H3/t23-/m0/s1
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3.10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162006
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-5-benzo[1,3]dioxol-...)
Show SMILES Cc1c(-c2ccc3OCOc3c2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
Show InChI InChI=1S/C27H23F2N3O4/c1-16-25(18-10-11-23-24(12-18)36-15-35-23)26(33)32(14-22(30)17-6-3-2-4-7-17)27(34)31(16)13-19-20(28)8-5-9-21(19)29/h2-12,22H,13-15,30H2,1H3/t22-/m0/s1
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3.40n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162007
PNG
((R)-1-(2,6-difluorobenzyl)-3-(2-amino-2-phenylethy...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O
Show InChI InChI=1S/C27H24F3N3O3/c1-16-24(18-10-6-13-23(36-2)25(18)30)26(34)33(15-22(31)17-8-4-3-5-9-17)27(35)32(16)14-19-20(28)11-7-12-21(19)29/h3-13,22H,14-15,31H2,1-2H3/t22-/m0/s1
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3.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Monkey gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162024
PNG
(3-((S)-2-Cyclobutylamino-propyl)-1-(2,6-difluoro-b...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](C)NC2CCC2)c1=O
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/t15-/m0/s1
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3.60n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162017
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-5-(2-fluoro-phenyl)...)
Show SMILES Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1cc(F)ccc1C(F)(F)F
Show InChI InChI=1S/C27H22F5N3O2/c1-16-24(20-9-5-6-10-22(20)29)25(36)35(15-23(33)17-7-3-2-4-8-17)26(37)34(16)14-18-13-19(28)11-12-21(18)27(30,31)32/h2-13,23H,14-15,33H2,1H3/t23-/m0/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 for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162030
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-1-(2-bromo-benzyl)-...)
Show SMILES Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1ccccc1Br
Show InChI InChI=1S/C26H23BrFN3O2/c1-17-24(20-12-6-8-14-22(20)28)25(32)31(16-23(29)18-9-3-2-4-10-18)26(33)30(17)15-19-11-5-7-13-21(19)27/h2-14,23H,15-16,29H2,1H3/t23-/m0/s1
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4.60n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162020
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-ben...)
Show SMILES Cc1c(-c2ccc3OCCOc3c2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
Show InChI InChI=1S/C28H25F2N3O4/c1-17-26(19-10-11-24-25(14-19)37-13-12-36-24)27(34)33(16-23(31)18-6-3-2-4-7-18)28(35)32(17)15-20-21(29)8-5-9-22(20)30/h2-11,14,23H,12-13,15-16,31H2,1H3/t23-/m0/s1
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5.10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162022
PNG
(5-Benzo[1,3]dioxol-5-yl-1-(2,6-difluoro-benzyl)-6-...)
Show SMILES CN[C@@H](Cn1c(=O)c(c(C)n(Cc2c(F)cccc2F)c1=O)-c1ccc2OCOc2c1)c1ccccc1
Show InChI InChI=1S/C28H25F2N3O4/c1-17-26(19-11-12-24-25(13-19)37-16-36-24)27(34)33(15-23(31-2)18-7-4-3-5-8-18)28(35)32(17)14-20-21(29)9-6-10-22(20)30/h3-13,23,31H,14-16H2,1-2H3/t23-/m0/s1
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5.60n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50161999
PNG
((R)-1-(2,6-difluorobenzyl)-3-(2-amino-2-phenylethy...)
Show SMILES Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
Show InChI InChI=1S/C26H22F3N3O2/c1-16-24(18-10-5-6-11-20(18)27)25(33)32(15-23(30)17-8-3-2-4-9-17)26(34)31(16)14-19-21(28)12-7-13-22(19)29/h2-13,23H,14-15,30H2,1H3/t23-/m0/s1
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5.60n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162008
PNG
((R)-1-(2-chloro-6-fluorobenzyl)-3-(2-amino-2-pheny...)
Show SMILES Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1Cl
Show InChI InChI=1S/C26H22ClF2N3O2/c1-16-24(18-10-5-6-12-21(18)28)25(33)32(15-23(30)17-8-3-2-4-9-17)26(34)31(16)14-19-20(27)11-7-13-22(19)29/h2-13,23H,14-15,30H2,1H3/t23-/m0/s1
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6.40n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Monkey gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162004
PNG
(1-(2,6-Difluoro-benzyl)-5-(3-methoxy-phenyl)-6-met...)
Show SMILES CN[C@@H](Cn1c(=O)c(c(C)n(Cc2c(F)cccc2F)c1=O)-c1cccc(OC)c1)c1ccccc1
Show InChI InChI=1S/C28H27F2N3O3/c1-18-26(20-11-7-12-21(15-20)36-3)27(34)33(17-25(31-2)19-9-5-4-6-10-19)28(35)32(18)16-22-23(29)13-8-14-24(22)30/h4-15,25,31H,16-17H2,1-3H3/t25-/m0/s1
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6.40n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50149269
PNG
(3-((R)-2-Amino-4-methyl-pentyl)-1-(2,6-difluoro-be...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)CC(C)C)c1=O
Show InChI InChI=1S/C25H28F3N3O3/c1-14(2)11-16(29)12-31-24(32)22(17-7-5-10-21(34-4)23(17)28)15(3)30(25(31)33)13-18-19(26)8-6-9-20(18)27/h5-10,14,16H,11-13,29H2,1-4H3/t16-/m1/s1
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6.40n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50149252
PNG
(3-((R)-2-Amino-2-cyclohexyl-ethyl)-1-(2,6-difluoro...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)C2CCCCC2)c1=O
Show InChI InChI=1S/C27H30F3N3O3/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/h6-7,10-13,17,22H,3-5,8-9,14-15,31H2,1-2H3/t22-/m0/s1
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6.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162013
PNG
(1-(2,6-Difluoro-benzyl)-3-((R)-2-dimethylamino-2-p...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N(C)C)c2ccccc2)c1=O
Show InChI InChI=1S/C29H28F3N3O3/c1-18-26(20-12-8-15-25(38-4)27(20)32)28(36)35(17-24(33(2)3)19-10-6-5-7-11-19)29(37)34(18)16-21-22(30)13-9-14-23(21)31/h5-15,24H,16-17H2,1-4H3/t24-/m0/s1
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6.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162037
PNG
(1-(2,6-Difluoro-benzyl)-3-((S)-2-dimethylamino-4-m...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](CC(C)C)N(C)C)c1=O
Show InChI InChI=1S/C27H32F3N3O3/c1-16(2)13-18(31(4)5)14-33-26(34)24(19-9-7-12-23(36-6)25(19)30)17(3)32(27(33)35)15-20-21(28)10-8-11-22(20)29/h7-12,16,18H,13-15H2,1-6H3/t18-/m0/s1
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7.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50149256
PNG
(1-(2,6-Difluoro-benzyl)-3-((S)-2-dimethylamino-3-p...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](Cc2ccccc2)N(C)C)c1=O
Show InChI InChI=1S/C30H30F3N3O3/c1-19-27(22-12-8-15-26(39-4)28(22)33)29(37)36(17-21(34(2)3)16-20-10-6-5-7-11-20)30(38)35(19)18-23-24(31)13-9-14-25(23)32/h5-15,21H,16-18H2,1-4H3/t21-/m0/s1
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7.90n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50149254
PNG
((S)-1-(2,6-difluorobenzyl)-5-(2-fluoro-3-methoxyph...)
Show SMILES CN[C@@H](Cc1ccccc1)Cn1c(=O)c(c(C)n(Cc2c(F)cccc2F)c1=O)-c1cccc(OC)c1F
Show InChI InChI=1S/C29H28F3N3O3/c1-18-26(21-11-7-14-25(38-3)27(21)32)28(36)35(16-20(33-2)15-19-9-5-4-6-10-19)29(37)34(18)17-22-23(30)12-8-13-24(22)31/h4-14,20,33H,15-17H2,1-3H3/t20-/m0/s1
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8.10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162034
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-ben...)
Show SMILES Cc1c(-c2ccc(Oc3ccccc3)cc2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
Show InChI InChI=1S/C32H27F2N3O3/c1-21-30(23-15-17-25(18-16-23)40-24-11-6-3-7-12-24)31(38)37(20-29(35)22-9-4-2-5-10-22)32(39)36(21)19-26-27(33)13-8-14-28(26)34/h2-18,29H,19-20,35H2,1H3/t29-/m0/s1
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8.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162016
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-ben...)
Show SMILES CSc1ccc(cc1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O
Show InChI InChI=1S/C27H25F2N3O2S/c1-17-25(19-11-13-20(35-2)14-12-19)26(33)32(16-24(30)18-7-4-3-5-8-18)27(34)31(17)15-21-22(28)9-6-10-23(21)29/h3-14,24H,15-16,30H2,1-2H3/t24-/m0/s1
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13n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162032
PNG
(1-(2,6-Difluoro-benzyl)-5-(2,3-dihydro-benzo[1,4]d...)
Show SMILES CN[C@@H](Cn1c(=O)c(c(C)n(Cc2c(F)cccc2F)c1=O)-c1ccc2OCCOc2c1)c1ccccc1
Show InChI InChI=1S/C29H27F2N3O4/c1-18-27(20-11-12-25-26(15-20)38-14-13-37-25)28(35)34(17-24(32-2)19-7-4-3-5-8-19)29(36)33(18)16-21-22(30)9-6-10-23(21)31/h3-12,15,24,32H,13-14,16-17H2,1-2H3/t24-/m0/s1
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13n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162000
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-1-(2-chloro-benzyl)...)
Show SMILES Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1ccccc1Cl
Show InChI InChI=1S/C26H23ClFN3O2/c1-17-24(20-12-6-8-14-22(20)28)25(32)31(16-23(29)18-9-3-2-4-10-18)26(33)30(17)15-19-11-5-7-13-21(19)27/h2-14,23H,15-16,29H2,1H3/t23-/m0/s1
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14n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162003
PNG
(1-(2,6-Difluoro-benzyl)-5-(2-fluoro-3-methoxy-phen...)
Show SMILES CN[C@@H](Cn1c(=O)c(c(C)n(Cc2c(F)cccc2F)c1=O)-c1cccc(OC)c1F)c1ccccc1
Show InChI InChI=1S/C28H26F3N3O3/c1-17-25(19-11-7-14-24(37-3)26(19)31)27(35)34(16-23(32-2)18-9-5-4-6-10-18)28(36)33(17)15-20-21(29)12-8-13-22(20)30/h4-14,23,32H,15-16H2,1-3H3/t23-/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 for Monkey gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162035
PNG
(1-(2,6-Difluoro-benzyl)-3-((S)-2-dimethylamino-2-p...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](N(C)C)c2ccccc2)c1=O
Show InChI InChI=1S/C29H28F3N3O3/c1-18-26(20-12-8-15-25(38-4)27(20)32)28(36)35(17-24(33(2)3)19-10-6-5-7-11-19)29(37)34(18)16-21-22(30)13-9-14-23(21)31/h5-15,24H,16-17H2,1-4H3/t24-/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 for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50149261
PNG
(3-((S)-2-Amino-3-phenyl-propyl)-1-(2,6-difluoro-be...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](N)Cc2ccccc2)c1=O
Show InChI InChI=1S/C28H26F3N3O3/c1-17-25(20-10-6-13-24(37-2)26(20)31)27(35)34(15-19(32)14-18-8-4-3-5-9-18)28(36)33(17)16-21-22(29)11-7-12-23(21)30/h3-13,19H,14-16,32H2,1-2H3/t19-/m0/s1
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16n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162040
PNG
((R)-1-(2-fluorobenzyl)-3-(2-amino-2-phenylethyl)-5...)
Show SMILES Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1ccccc1F
Show InChI InChI=1S/C26H23F2N3O2/c1-17-24(20-12-6-8-14-22(20)28)25(32)31(16-23(29)18-9-3-2-4-10-18)26(33)30(17)15-19-11-5-7-13-21(19)27/h2-14,23H,15-16,29H2,1H3/t23-/m0/s1
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20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162039
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-5-(2-fluoro-phenyl)...)
Show SMILES Cc1ccccc1Cn1c(C)c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O
Show InChI InChI=1S/C27H26FN3O2/c1-18-10-6-7-13-21(18)16-30-19(2)25(22-14-8-9-15-23(22)28)26(32)31(27(30)33)17-24(29)20-11-4-3-5-12-20/h3-15,24H,16-17,29H2,1-2H3/t24-/m0/s1
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20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162011
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-1-(2-chloro-4-fluor...)
Show SMILES Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1ccc(F)cc1Cl
Show InChI InChI=1S/C26H22ClF2N3O2/c1-16-24(20-9-5-6-10-22(20)29)25(33)32(15-23(30)17-7-3-2-4-8-17)26(34)31(16)14-18-11-12-19(28)13-21(18)27/h2-13,23H,14-15,30H2,1H3/t23-/m0/s1
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21n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162021
PNG
(3-((S)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-ben...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](N)c2ccccc2)c1=O
Show InChI InChI=1S/C27H24F3N3O3/c1-16-24(18-10-6-13-23(36-2)25(18)30)26(34)33(15-22(31)17-8-4-3-5-9-17)27(35)32(16)14-19-20(28)11-7-12-21(19)29/h3-13,22H,14-15,31H2,1-2H3/t22-/m1/s1
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22n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162012
PNG
(1-(2,6-Difluoro-benzyl)-3-((R)-2-dimethylamino-3-m...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](C(C)C)N(C)C)c1=O
Show InChI InChI=1S/C26H30F3N3O3/c1-15(2)21(30(4)5)14-32-25(33)23(17-9-7-12-22(35-6)24(17)29)16(3)31(26(32)34)13-18-19(27)10-8-11-20(18)28/h7-12,15,21H,13-14H2,1-6H3/t21-/m0/s1
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27n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50149268
PNG
(3-((S)-2-Amino-4-methyl-pentyl)-1-(2,6-difluoro-be...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](N)CC(C)C)c1=O
Show InChI InChI=1S/C25H28F3N3O3/c1-14(2)11-16(29)12-31-24(32)22(17-7-5-10-21(34-4)23(17)28)15(3)30(25(31)33)13-18-19(26)8-6-9-20(18)27/h5-10,14,16H,11-13,29H2,1-4H3/t16-/m0/s1
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39n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162006
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-5-benzo[1,3]dioxol-...)
Show SMILES Cc1c(-c2ccc3OCOc3c2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
Show InChI InChI=1S/C27H23F2N3O4/c1-16-25(18-10-11-23-24(12-18)36-15-35-23)26(33)32(14-22(30)17-6-3-2-4-7-17)27(34)31(16)13-19-20(28)8-5-9-21(19)29/h2-12,22H,13-15,30H2,1H3/t22-/m0/s1
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42n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Monkey gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50161500
PNG
((R)-1-(2,6-difluorobenzyl)-3-(2-amino-2-phenylethy...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O
Show InChI InChI=1S/C27H25F2N3O3/c1-17-25(19-10-6-11-20(14-19)35-2)26(33)32(16-24(30)18-8-4-3-5-9-18)27(34)31(17)15-21-22(28)12-7-13-23(21)29/h3-14,24H,15-16,30H2,1-2H3/t24-/m0/s1
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45n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Monkey gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162028
PNG
(3-((S)-2-Amino-2-cyclohexyl-ethyl)-1-(2,6-difluoro...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](N)C2CCCCC2)c1=O
Show InChI InChI=1S/C27H30F3N3O3/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/h6-7,10-13,17,22H,3-5,8-9,14-15,31H2,1-2H3/t22-/m1/s1
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46n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50149265
PNG
(3-((R)-2-Amino-3-methyl-butyl)-1-(2,6-difluoro-ben...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)C(C)C)c1=O
Show InChI InChI=1S/C24H26F3N3O3/c1-13(2)19(28)12-30-23(31)21(15-7-5-10-20(33-4)22(15)27)14(3)29(24(30)32)11-16-17(25)8-6-9-18(16)26/h5-10,13,19H,11-12,28H2,1-4H3/t19-/m0/s1
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51n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162019
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-1-benzyl-5-(2-fluor...)
Show SMILES Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C26H24FN3O2/c1-18-24(21-14-8-9-15-22(21)27)25(31)30(17-23(28)20-12-6-3-7-13-20)26(32)29(18)16-19-10-4-2-5-11-19/h2-15,23H,16-17,28H2,1H3/t23-/m0/s1
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53n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162010
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-1-(3-fluoro-benzyl)...)
Show SMILES Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1cccc(F)c1
Show InChI InChI=1S/C26H23F2N3O2/c1-17-24(21-12-5-6-13-22(21)28)25(32)31(16-23(29)19-9-3-2-4-10-19)26(33)30(17)15-18-8-7-11-20(27)14-18/h2-14,23H,15-16,29H2,1H3/t23-/m0/s1
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61n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162009
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-1-(4-fluoro-benzyl)...)
Show SMILES Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1ccc(F)cc1
Show InChI InChI=1S/C26H23F2N3O2/c1-17-24(21-9-5-6-10-22(21)28)25(32)31(16-23(29)19-7-3-2-4-8-19)26(33)30(17)15-18-11-13-20(27)14-12-18/h2-14,23H,15-16,29H2,1H3/t23-/m0/s1
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63n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162036
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-5-(2-fluoro-phenyl)...)
Show SMILES Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1ccccn1
Show InChI InChI=1S/C25H23FN4O2/c1-17-23(20-12-5-6-13-21(20)26)24(31)30(16-22(27)18-9-3-2-4-10-18)25(32)29(17)15-19-11-7-8-14-28-19/h2-14,22H,15-16,27H2,1H3/t22-/m0/s1
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64n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162004
PNG
(1-(2,6-Difluoro-benzyl)-5-(3-methoxy-phenyl)-6-met...)
Show SMILES CN[C@@H](Cn1c(=O)c(c(C)n(Cc2c(F)cccc2F)c1=O)-c1cccc(OC)c1)c1ccccc1
Show InChI InChI=1S/C28H27F2N3O3/c1-18-26(20-11-7-12-21(15-20)36-3)27(34)33(17-25(31-2)19-9-5-4-6-10-19)28(35)32(18)16-22-23(29)13-8-14-24(22)30/h4-15,25,31H,16-17H2,1-3H3/t25-/m0/s1
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65n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Monkey gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50149264
PNG
(3-((R)-2-Amino-3-phenyl-propyl)-1-(2,6-difluoro-be...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)Cc2ccccc2)c1=O
Show InChI InChI=1S/C28H26F3N3O3/c1-17-25(20-10-6-13-24(37-2)26(20)31)27(35)34(15-19(32)14-18-8-4-3-5-9-18)28(36)33(17)16-21-22(29)11-7-12-23(21)30/h3-13,19H,14-16,32H2,1-2H3/t19-/m1/s1
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66n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162020
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-ben...)
Show SMILES Cc1c(-c2ccc3OCCOc3c2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
Show InChI InChI=1S/C28H25F2N3O4/c1-17-26(19-10-11-24-25(14-19)37-13-12-36-24)27(34)33(16-23(31)18-6-3-2-4-7-18)28(35)32(17)15-20-21(29)8-5-9-22(20)30/h2-11,14,23H,12-13,15-16,31H2,1H3/t23-/m0/s1
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74n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Monkey gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162018
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-5-(2-fluoro-phenyl)...)
Show SMILES COc1ccccc1Cn1c(C)c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O
Show InChI InChI=1S/C27H26FN3O3/c1-18-25(21-13-7-8-14-22(21)28)26(32)31(17-23(29)19-10-4-3-5-11-19)27(33)30(18)16-20-12-6-9-15-24(20)34-2/h3-15,23H,16-17,29H2,1-2H3/t23-/m0/s1
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100n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162022
PNG
(5-Benzo[1,3]dioxol-5-yl-1-(2,6-difluoro-benzyl)-6-...)
Show SMILES CN[C@@H](Cn1c(=O)c(c(C)n(Cc2c(F)cccc2F)c1=O)-c1ccc2OCOc2c1)c1ccccc1
Show InChI InChI=1S/C28H25F2N3O4/c1-17-26(19-11-12-24-25(13-19)37-16-36-24)27(34)33(15-23(31-2)18-7-4-3-5-8-18)28(35)32(17)14-20-21(29)9-6-10-22(20)30/h3-13,23,31H,14-16H2,1-2H3/t23-/m0/s1
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100n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Monkey gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50149252
PNG
(3-((R)-2-Amino-2-cyclohexyl-ethyl)-1-(2,6-difluoro...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)C2CCCCC2)c1=O
Show InChI InChI=1S/C27H30F3N3O3/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/h6-7,10-13,17,22H,3-5,8-9,14-15,31H2,1-2H3/t22-/m0/s1
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120n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Monkey gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162013
PNG
(1-(2,6-Difluoro-benzyl)-3-((R)-2-dimethylamino-2-p...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N(C)C)c2ccccc2)c1=O
Show InChI InChI=1S/C29H28F3N3O3/c1-18-26(20-12-8-15-25(38-4)27(20)32)28(36)35(17-24(33(2)3)19-10-6-5-7-11-19)29(37)34(18)16-21-22(30)13-9-14-23(21)31/h5-15,24H,16-17H2,1-4H3/t24-/m0/s1
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120n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Monkey gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162031
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-1-cyclohexylmethyl-...)
Show SMILES Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1CC1CCCCC1
Show InChI InChI=1S/C26H30FN3O2/c1-18-24(21-14-8-9-15-22(21)27)25(31)30(17-23(28)20-12-6-3-7-13-20)26(32)29(18)16-19-10-4-2-5-11-19/h3,6-9,12-15,19,23H,2,4-5,10-11,16-17,28H2,1H3/t23-/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 for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162027
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-5-(2-fluoro-phenyl)...)
Show SMILES Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1ccccc1SC(F)(F)F
Show InChI InChI=1S/C27H23F4N3O2S/c1-17-24(20-12-6-7-13-21(20)28)25(35)34(16-22(32)18-9-3-2-4-10-18)26(36)33(17)15-19-11-5-8-14-23(19)37-27(29,30)31/h2-14,22H,15-16,32H2,1H3/t22-/m0/s1
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180n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50149254
PNG
((S)-1-(2,6-difluorobenzyl)-5-(2-fluoro-3-methoxyph...)
Show SMILES CN[C@@H](Cc1ccccc1)Cn1c(=O)c(c(C)n(Cc2c(F)cccc2F)c1=O)-c1cccc(OC)c1F
Show InChI InChI=1S/C29H28F3N3O3/c1-18-26(21-11-7-14-25(38-3)27(21)32)28(36)35(16-20(33-2)15-19-9-5-4-6-10-19)29(37)34(18)17-22-23(30)12-8-13-24(22)31/h4-14,20,33H,15-17H2,1-3H3/t20-/m0/s1
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200n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Monkey gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162038
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-5-(2-fluoro-phenyl)...)
Show SMILES CC(C)Cn1c(C)c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O
Show InChI InChI=1S/C23H26FN3O2/c1-15(2)13-26-16(3)21(18-11-7-8-12-19(18)24)22(28)27(23(26)29)14-20(25)17-9-5-4-6-10-17/h4-12,15,20H,13-14,25H2,1-3H3/t20-/m0/s1
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570n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50149253
PNG
(3-((R)-2-Amino-propyl)-1-(2,6-difluoro-benzyl)-5-(...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](C)N)c1=O
Show InChI InChI=1S/C22H22F3N3O3/c1-12(26)10-28-21(29)19(14-6-4-9-18(31-3)20(14)25)13(2)27(22(28)30)11-15-16(23)7-5-8-17(15)24/h4-9,12H,10-11,26H2,1-3H3/t12-/m1/s1
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600n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162025
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-1-cyclopropylmethyl...)
Show SMILES Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1CC1CC1
Show InChI InChI=1S/C23H24FN3O2/c1-15-21(18-9-5-6-10-19(18)24)22(28)27(23(29)26(15)13-16-11-12-16)14-20(25)17-7-3-2-4-8-17/h2-10,16,20H,11-14,25H2,1H3/t20-/m0/s1
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880n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162029
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-5-(2-fluoro-phenyl)...)
Show SMILES Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1CCc1ccccc1
Show InChI InChI=1S/C27H26FN3O2/c1-19-25(22-14-8-9-15-23(22)28)26(32)31(18-24(29)21-12-6-3-7-13-21)27(33)30(19)17-16-20-10-4-2-5-11-20/h2-15,24H,16-18,29H2,1H3/t24-/m0/s1
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880n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50149267
PNG
(3-((S)-2-Amino-3-methyl-butyl)-1-(2,6-difluoro-ben...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](N)C(C)C)c1=O
Show InChI InChI=1S/C24H26F3N3O3/c1-13(2)19(28)12-30-23(31)21(15-7-5-10-20(33-4)22(15)27)14(3)29(24(30)32)11-16-17(25)8-6-9-18(16)26/h5-10,13,19H,11-12,28H2,1-4H3/t19-/m1/s1
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970n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162001
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-5-(2-fluoro-phenyl)...)
Show SMILES Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1cccnc1
Show InChI InChI=1S/C25H23FN4O2/c1-17-23(20-11-5-6-12-21(20)26)24(31)30(16-22(27)19-9-3-2-4-10-19)25(32)29(17)15-18-8-7-13-28-14-18/h2-14,22H,15-16,27H2,1H3/t22-/m0/s1
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980n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162015
PNG
(1-(2,6-Difluoro-benzyl)-3-((S)-2-dimethylamino-3-m...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](C(C)C)N(C)C)c1=O
Show InChI InChI=1S/C26H30F3N3O3/c1-15(2)21(30(4)5)14-32-25(33)23(17-9-7-12-22(35-6)24(17)29)16(3)31(26(32)34)13-18-19(27)10-8-11-20(18)28/h7-12,15,21H,13-14H2,1-6H3/t21-/m1/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162033
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-5-(2-fluoro-phenyl)...)
Show SMILES COCCn1c(C)c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O
Show InChI InChI=1S/C22H24FN3O3/c1-15-20(17-10-6-7-11-18(17)23)21(27)26(22(28)25(15)12-13-29-2)14-19(24)16-8-4-3-5-9-16/h3-11,19H,12-14,24H2,1-2H3/t19-/m0/s1
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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 for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50162008
PNG
((R)-1-(2-chloro-6-fluorobenzyl)-3-(2-amino-2-pheny...)
Show SMILES Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1Cl
Show InChI InChI=1S/C26H22ClF2N3O2/c1-16-24(18-10-5-6-12-21(18)28)25(33)32(15-23(30)17-8-3-2-4-9-17)26(34)31(16)14-19-20(27)11-7-13-22(19)29/h2-13,23H,14-15,30H2,1H3/t23-/m0/s1
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2.90E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Rat gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50162007
PNG
((R)-1-(2,6-difluorobenzyl)-3-(2-amino-2-phenylethy...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O
Show InChI InChI=1S/C27H24F3N3O3/c1-16-24(18-10-6-13-23(36-2)25(18)30)26(34)33(15-22(31)17-8-4-3-5-9-17)27(35)32(16)14-19-20(28)11-7-12-21(19)29/h3-13,22H,14-15,31H2,1-2H3/t22-/m0/s1
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3.00E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for rat gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50149252
PNG
(3-((R)-2-Amino-2-cyclohexyl-ethyl)-1-(2,6-difluoro...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)C2CCCCC2)c1=O
Show InChI InChI=1S/C27H30F3N3O3/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/h6-7,10-13,17,22H,3-5,8-9,14-15,31H2,1-2H3/t22-/m0/s1
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3.20E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Rat gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50161500
PNG
((R)-1-(2,6-difluorobenzyl)-3-(2-amino-2-phenylethy...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O
Show InChI InChI=1S/C27H25F2N3O3/c1-17-25(19-10-6-11-20(14-19)35-2)26(33)32(16-24(30)18-8-4-3-5-9-18)27(34)31(17)15-21-22(28)12-7-13-23(21)29/h3-14,24H,15-16,30H2,1-2H3/t24-/m0/s1
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7.60E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Rat gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50162004
PNG
(1-(2,6-Difluoro-benzyl)-5-(3-methoxy-phenyl)-6-met...)
Show SMILES CN[C@@H](Cn1c(=O)c(c(C)n(Cc2c(F)cccc2F)c1=O)-c1cccc(OC)c1)c1ccccc1
Show InChI InChI=1S/C28H27F2N3O3/c1-18-26(20-11-7-12-21(15-20)36-3)27(34)33(17-25(31-2)19-9-5-4-6-10-19)28(35)32(18)16-22-23(29)13-8-14-24(22)30/h4-15,25,31H,16-17H2,1-3H3/t25-/m0/s1
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7.70E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Rat gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50162006
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-5-benzo[1,3]dioxol-...)
Show SMILES Cc1c(-c2ccc3OCOc3c2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
Show InChI InChI=1S/C27H23F2N3O4/c1-16-25(18-10-11-23-24(12-18)36-15-35-23)26(33)32(14-22(30)17-6-3-2-4-7-17)27(34)31(16)13-19-20(28)8-5-9-21(19)29/h2-12,22H,13-15,30H2,1H3/t22-/m0/s1
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9.90E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Rat gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50149266
PNG
(3-((S)-2-Amino-propyl)-1-(2,6-difluoro-benzyl)-5-(...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](C)N)c1=O
Show InChI InChI=1S/C22H22F3N3O3/c1-12(26)10-28-21(29)19(14-6-4-9-18(31-3)20(14)25)13(2)27(22(28)30)11-15-16(23)7-5-8-17(15)24/h4-9,12H,10-11,26H2,1-3H3/t12-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50162013
PNG
(1-(2,6-Difluoro-benzyl)-3-((R)-2-dimethylamino-2-p...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N(C)C)c2ccccc2)c1=O
Show InChI InChI=1S/C29H28F3N3O3/c1-18-26(20-12-8-15-25(38-4)27(20)32)28(36)35(17-24(33(2)3)19-10-6-5-7-11-19)29(37)34(18)16-21-22(30)13-9-14-23(21)31/h5-15,24H,16-17H2,1-4H3/t24-/m0/s1
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1.10E+4n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Rat gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50149254
PNG
((S)-1-(2,6-difluorobenzyl)-5-(2-fluoro-3-methoxyph...)
Show SMILES CN[C@@H](Cc1ccccc1)Cn1c(=O)c(c(C)n(Cc2c(F)cccc2F)c1=O)-c1cccc(OC)c1F
Show InChI InChI=1S/C29H28F3N3O3/c1-18-26(21-11-7-14-25(38-3)27(21)32)28(36)35(16-20(33-2)15-19-9-5-4-6-10-19)29(37)34(18)17-22-23(30)12-8-13-24(22)31/h4-14,20,33H,15-17H2,1-3H3/t20-/m0/s1
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1.20E+4n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Rat gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50162020
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-ben...)
Show SMILES Cc1c(-c2ccc3OCCOc3c2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
Show InChI InChI=1S/C28H25F2N3O4/c1-17-26(19-10-11-24-25(14-19)37-13-12-36-24)27(34)33(16-23(31)18-6-3-2-4-7-18)28(35)32(17)15-20-21(29)8-5-9-22(20)30/h2-11,14,23H,12-13,15-16,31H2,1H3/t23-/m0/s1
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1.80E+4n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Rat gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162002
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-5-(2-fluoro-phenyl)...)
Show SMILES Cc1oc(=O)n(C[C@H](N)c2ccccc2)c(=O)c1-c1ccccc1F
Show InChI InChI=1S/C19H17FN2O3/c1-12-17(14-9-5-6-10-15(14)20)18(23)22(19(24)25-12)11-16(21)13-7-3-2-4-8-13/h2-10,16H,11,21H2,1H3/t16-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50098391
PNG
((S)-4-(2-(azetidin-2-yl)ethoxy)-7-chloro-2-oxo-N-(...)
Show SMILES Cc1cc(cc(C)c1C)-c1c(OCC[C@@H]2CCN2)c2cc(C(=O)Nc3ccncn3)c(Cl)cc2[nH]c1=O
Show InChI InChI=1S/C28H28ClN5O3/c1-15-10-18(11-16(2)17(15)3)25-26(37-9-6-19-4-8-31-19)21-12-20(22(29)13-23(21)33-28(25)36)27(35)34-24-5-7-30-14-32-24/h5,7,10-14,19,31H,4,6,8-9H2,1-3H3,(H,33,36)(H,30,32,34,35)/t19-/m0/s1
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n/an/a 0.440n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162008
PNG
((R)-1-(2-chloro-6-fluorobenzyl)-3-(2-amino-2-pheny...)
Show SMILES Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1Cl
Show InChI InChI=1S/C26H22ClF2N3O2/c1-16-24(18-10-5-6-12-21(18)28)25(33)32(15-23(30)17-8-3-2-4-9-17)26(34)31(16)14-19-20(27)11-7-13-22(19)29/h2-13,23H,14-15,30H2,1H3/t23-/m0/s1
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n/an/a 2.80n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human gonadotropin-releasing hormone receptor stimulated calcium flux


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162007
PNG
((R)-1-(2,6-difluorobenzyl)-3-(2-amino-2-phenylethy...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O
Show InChI InChI=1S/C27H24F3N3O3/c1-16-24(18-10-6-13-23(36-2)25(18)30)26(34)33(15-22(31)17-8-4-3-5-9-17)27(35)32(16)14-19-20(28)11-7-12-21(19)29/h3-13,22H,14-15,31H2,1-2H3/t22-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human gonadotropin-releasing hormone receptor stimulated calcium flux


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


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



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Rat gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50161500
PNG
((R)-1-(2,6-difluorobenzyl)-3-(2-amino-2-phenylethy...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O
Show InChI InChI=1S/C27H25F2N3O3/c1-17-25(19-10-6-11-20(14-19)35-2)26(33)32(16-24(30)18-8-4-3-5-9-18)27(34)31(17)15-21-22(28)12-7-13-23(21)29/h3-14,24H,15-16,30H2,1-2H3/t24-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human gonadotropin-releasing hormone receptor stimulated calcium flux


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162006
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-5-benzo[1,3]dioxol-...)
Show SMILES Cc1c(-c2ccc3OCOc3c2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
Show InChI InChI=1S/C27H23F2N3O4/c1-16-25(18-10-11-23-24(12-18)36-15-35-23)26(33)32(14-22(30)17-6-3-2-4-7-17)27(34)31(16)13-19-20(28)8-5-9-21(19)29/h2-12,22H,13-15,30H2,1H3/t22-/m0/s1
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n/an/a 6.20n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human gonadotropin-releasing hormone receptor stimulated calcium flux


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50149252
PNG
(3-((R)-2-Amino-2-cyclohexyl-ethyl)-1-(2,6-difluoro...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)C2CCCCC2)c1=O
Show InChI InChI=1S/C27H30F3N3O3/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/h6-7,10-13,17,22H,3-5,8-9,14-15,31H2,1-2H3/t22-/m0/s1
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n/an/a 6.5n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human gonadotropin-releasing hormone receptor stimulated calcium flux


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162020
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-ben...)
Show SMILES Cc1c(-c2ccc3OCCOc3c2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
Show InChI InChI=1S/C28H25F2N3O4/c1-17-26(19-10-11-24-25(14-19)37-13-12-36-24)27(34)33(16-23(31)18-6-3-2-4-7-18)28(35)32(17)15-20-21(29)8-5-9-22(20)30/h2-11,14,23H,12-13,15-16,31H2,1H3/t23-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human gonadotropin-releasing hormone receptor stimulated calcium flux


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50149254
PNG
((S)-1-(2,6-difluorobenzyl)-5-(2-fluoro-3-methoxyph...)
Show SMILES CN[C@@H](Cc1ccccc1)Cn1c(=O)c(c(C)n(Cc2c(F)cccc2F)c1=O)-c1cccc(OC)c1F
Show InChI InChI=1S/C29H28F3N3O3/c1-18-26(21-11-7-14-25(38-3)27(21)32)28(36)35(16-20(33-2)15-19-9-5-4-6-10-19)29(37)34(18)17-22-23(30)12-8-13-24(22)31/h4-14,20,33H,15-17H2,1-3H3/t20-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human gonadotropin-releasing hormone receptor stimulated calcium flux


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162004
PNG
(1-(2,6-Difluoro-benzyl)-5-(3-methoxy-phenyl)-6-met...)
Show SMILES CN[C@@H](Cn1c(=O)c(c(C)n(Cc2c(F)cccc2F)c1=O)-c1cccc(OC)c1)c1ccccc1
Show InChI InChI=1S/C28H27F2N3O3/c1-18-26(20-11-7-12-21(15-20)36-3)27(34)33(17-25(31-2)19-9-5-4-6-10-19)28(35)32(18)16-22-23(29)13-8-14-24(22)30/h4-15,25,31H,16-17H2,1-3H3/t25-/m0/s1
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n/an/a 34n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human gonadotropin-releasing hormone receptor stimulated calcium flux


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50162013
PNG
(1-(2,6-Difluoro-benzyl)-3-((R)-2-dimethylamino-2-p...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N(C)C)c2ccccc2)c1=O
Show InChI InChI=1S/C29H28F3N3O3/c1-18-26(20-12-8-15-25(38-4)27(20)32)28(36)35(17-24(33(2)3)19-10-6-5-7-11-19)29(37)34(18)16-21-22(30)13-9-14-23(21)31/h5-15,24H,16-17H2,1-4H3/t24-/m0/s1
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n/an/a 49n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human gonadotropin-releasing hormone receptor stimulated calcium flux


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50067485
PNG
(3-[(Benzyl-methyl-amino)-methyl]-7-(2,6-difluoro-b...)
Show SMILES CC(C)OC(=O)c1cn(Cc2c(F)cccc2F)c2sc(c(CN(C)Cc3ccccc3)c2c1=O)-c1ccc(NC(=O)C(C)C)cc1
Show InChI InChI=1S/C37H37F2N3O4S/c1-22(2)35(44)40-26-16-14-25(15-17-26)34-28(19-41(5)18-24-10-7-6-8-11-24)32-33(43)29(37(45)46-23(3)4)21-42(36(32)47-34)20-27-30(38)12-9-13-31(27)39/h6-17,21-23H,18-20H2,1-5H3,(H,40,44)
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n/an/a 60n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Rat gonadotropin-releasing hormone receptor(moderate affinity)


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50067485
PNG
(3-[(Benzyl-methyl-amino)-methyl]-7-(2,6-difluoro-b...)
Show SMILES CC(C)OC(=O)c1cn(Cc2c(F)cccc2F)c2sc(c(CN(C)Cc3ccccc3)c2c1=O)-c1ccc(NC(=O)C(C)C)cc1
Show InChI InChI=1S/C37H37F2N3O4S/c1-22(2)35(44)40-26-16-14-25(15-17-26)34-28(19-41(5)18-24-10-7-6-8-11-24)32-33(43)29(37(45)46-23(3)4)21-42(36(32)47-34)20-27-30(38)12-9-13-31(27)39/h6-17,21-23H,18-20H2,1-5H3,(H,40,44)
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n/an/a 60n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%