Found 88 hits Enz. Inhib. hit(s) with all data for entry = 50015883 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50162026
(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 |wU:26.28,(2.12,4.82,;3.44,4.05,;3.44,2.51,;4.79,1.73,;4.77,.19,;3.44,-.57,;2.12,.2,;2.12,1.74,;.78,2.51,;.78,-.57,;.78,-2.11,;2.12,-2.87,;-.55,-2.87,;-.55,-4.39,;.78,-5.18,;2.12,-4.39,;.78,-3.64,;3.44,-5.16,;3.44,-6.72,;2.12,-7.47,;.78,-6.72,;-.55,-7.47,;-1.87,-2.11,;-3.21,-2.87,;-1.87,-.57,;-3.21,.2,;-3.21,1.74,;-1.88,2.51,;-4.57,2.51,;-5.9,1.74,;-4.57,4.05,;-3.24,4.82,;-1.91,4.04,;-.56,4.82,;-.56,6.35,;-1.93,7.12,;-3.24,6.35,;-.55,.21,;-.55,1.77,)| 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 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50162007
((R)-1-(2,6-difluorobenzyl)-3-(2-amino-2-phenylethy...)Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O |r,wD:26.28,(6.65,3.5,;5.31,2.74,;3.98,3.51,;3.98,5.05,;2.64,5.83,;1.31,5.06,;1.31,3.52,;2.64,2.75,;2.64,1.21,;-.02,2.76,;-.02,1.22,;1.3,.46,;-1.35,.46,;-1.35,-1.08,;-.01,-1.85,;1.31,-1.08,;2.64,-.3,;2.64,-1.85,;2.65,-3.39,;1.31,-4.16,;-.02,-3.39,;-1.36,-4.16,;-2.68,1.22,;-4.01,.45,;-2.68,2.76,;-4.01,3.53,;-5.34,2.75,;-5.34,1.21,;-6.68,3.52,;-6.68,5.06,;-8.02,5.83,;-9.36,5.04,;-9.35,3.51,;-8.01,2.75,;-1.35,3.54,;-1.35,5.08,)| Show InChI InChI=1S/C27H24F3N3O3/c1-16-24(18-10-6-13-23(36-2)25(18)30)26(34)33(15-22(31)17-8-4-3-5-9-17)27(35)32(16)14-19-20(28)11-7-12-21(19)29/h3-13,22H,14-15,31H2,1-2H3/t22-/m0/s1 | PDB
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PubMed
| 0.560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50162008
((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 |r,wD:14.15,(32.48,-29.08,;31.15,-28.31,;31.15,-26.77,;32.48,-26,;33.81,-26.77,;35.14,-26,;35.14,-24.46,;33.8,-23.69,;32.47,-24.47,;31.13,-23.7,;29.82,-25.99,;29.82,-24.45,;28.49,-26.77,;27.15,-26.01,;25.82,-26.78,;25.83,-28.32,;24.49,-26.02,;24.49,-24.47,;23.16,-23.71,;21.82,-24.48,;21.83,-26.03,;23.17,-26.79,;28.49,-28.31,;27.16,-29.08,;29.82,-29.07,;29.82,-30.61,;31.15,-31.38,;32.47,-30.61,;31.13,-29.84,;33.81,-31.38,;33.81,-32.93,;32.48,-33.7,;31.14,-32.93,;29.81,-33.69,)| 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 | PDB
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PubMed
| 0.610 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50149263
(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 |wU:2.1,(3.53,-4.51,;4.86,-3.74,;6.19,-4.51,;6.19,-6.05,;4.86,-6.82,;3.53,-6.05,;4.85,-8.36,;7.54,-3.76,;8.87,-4.53,;10.2,-3.76,;10.2,-2.22,;11.53,-4.53,;11.53,-6.07,;12.86,-6.84,;10.2,-6.84,;10.2,-8.38,;11.53,-9.15,;12.86,-8.38,;13.94,-7.29,;14.19,-9.15,;14.19,-10.69,;12.86,-11.46,;11.53,-10.69,;10.18,-11.46,;8.87,-6.07,;7.52,-6.84,;12.86,-3.76,;14.19,-4.55,;15.54,-3.79,;15.55,-2.24,;14.19,-1.47,;14.19,.07,;15.54,.84,;12.86,-2.24,;11.53,-1.45,)| 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 | PDB
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| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50162003
(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 |wD:2.1,(-3.85,-2.39,;-3.85,-.85,;-3.85,.68,;-2.54,1.46,;-1.19,.69,;.15,1.49,;.15,3.03,;1.48,.69,;1.48,-.85,;2.8,-1.62,;.15,-1.59,;.15,-3.13,;1.48,-3.9,;2.8,-3.13,;1.45,-2.36,;4.14,-3.9,;4.14,-5.44,;2.8,-6.23,;1.48,-5.44,;.14,-6.23,;-1.19,-.85,;-2.51,-1.62,;2.8,1.46,;4.14,.68,;5.46,1.46,;5.48,2.99,;4.14,3.77,;4.14,5.31,;2.8,6.08,;2.8,2.99,;1.48,3.77,;-5.2,1.46,;-5.2,2.99,;-6.53,3.77,;-7.86,2.98,;-7.86,1.42,;-6.5,.68,)| 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 | PDB
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| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50161500
((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 |r| 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 | PDB
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PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50162005
(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 |wD:14.15,(2.9,-1.34,;1.57,-.58,;1.57,.96,;2.9,1.73,;4.22,.95,;5.56,1.71,;5.56,3.27,;4.22,4.02,;2.9,3.27,;1.57,4.04,;.23,1.73,;.23,3.27,;-1.1,.96,;-2.43,1.73,;-3.76,.95,;-3.76,-.59,;-5.11,1.72,;-5.11,3.27,;-6.45,4.02,;-7.79,3.27,;-7.78,1.71,;-6.43,.94,;-1.1,-.58,;-2.43,-1.34,;.23,-1.34,;.23,-2.88,;1.57,-3.66,;1.57,-5.2,;.22,-5.97,;2.9,-5.97,;4.22,-5.2,;4.22,-3.65,;2.9,-2.88,;1.55,-2.09,)| 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 | PDB
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| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50162014
(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 |wD:25.27,(4.09,5.41,;4.09,3.87,;5.44,3.1,;5.44,1.56,;4.09,.79,;2.76,1.58,;2.76,3.1,;1.45,3.87,;1.45,.81,;1.45,-.73,;2.76,-1.5,;.1,-1.5,;.1,-3.04,;1.45,-3.81,;2.76,-3.02,;1.43,-2.25,;4.09,-3.79,;4.09,-5.35,;2.76,-6.12,;1.45,-5.35,;.1,-6.12,;-1.23,-.73,;-2.54,-1.5,;-1.23,.81,;-2.54,1.58,;-3.89,.79,;-3.89,-.75,;-5.22,1.56,;-5.22,3.1,;-6.55,3.87,;-7.89,3.1,;-7.88,1.56,;-6.53,.79,;.1,1.58,;.1,3.12,)| 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 | PDB
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PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50162023
(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 |wD:14.15,(3.73,-.86,;2.39,-.1,;2.39,1.45,;3.73,2.21,;5.04,1.42,;6.38,2.19,;6.38,3.73,;5.04,4.5,;3.72,3.73,;2.39,4.52,;1.05,2.21,;1.05,3.77,;-.27,1.45,;-1.61,2.21,;-2.94,1.42,;-2.94,-.1,;-4.26,2.21,;-4.26,3.73,;-5.6,4.5,;-6.95,3.73,;-6.92,2.19,;-5.6,1.42,;-.27,-.1,;-1.61,-.86,;1.05,-.86,;1.05,-2.4,;-.27,-3.17,;-1.61,-2.39,;-2.94,-3.15,;-2.94,-4.7,;-1.6,-5.46,;-.27,-4.7,;1.07,-5.46,;2.29,-6.16,;1.34,-7.05,;2.57,-4.88,)| 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 | PDB
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| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50162006
(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 | PDB
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| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50162007
((R)-1-(2,6-difluorobenzyl)-3-(2-amino-2-phenylethy...)Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O |r,wD:26.28,(6.65,3.5,;5.31,2.74,;3.98,3.51,;3.98,5.05,;2.64,5.83,;1.31,5.06,;1.31,3.52,;2.64,2.75,;2.64,1.21,;-.02,2.76,;-.02,1.22,;1.3,.46,;-1.35,.46,;-1.35,-1.08,;-.01,-1.85,;1.31,-1.08,;2.64,-.3,;2.64,-1.85,;2.65,-3.39,;1.31,-4.16,;-.02,-3.39,;-1.36,-4.16,;-2.68,1.22,;-4.01,.45,;-2.68,2.76,;-4.01,3.53,;-5.34,2.75,;-5.34,1.21,;-6.68,3.52,;-6.68,5.06,;-8.02,5.83,;-9.36,5.04,;-9.35,3.51,;-8.01,2.75,;-1.35,3.54,;-1.35,5.08,)| Show InChI InChI=1S/C27H24F3N3O3/c1-16-24(18-10-6-13-23(36-2)25(18)30)26(34)33(15-22(31)17-8-4-3-5-9-17)27(35)32(16)14-19-20(28)11-7-12-21(19)29/h3-13,22H,14-15,31H2,1-2H3/t22-/m0/s1 | PDB
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| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 receptor
(Homo sapiens (Human)) | BDBM50162024
(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 |wU:26.28,(2.42,6.57,;3.73,5.82,;3.73,4.28,;5.1,3.51,;5.06,1.97,;3.73,1.2,;2.42,1.98,;2.42,3.51,;1.08,4.28,;1.08,1.23,;1.08,-.33,;2.42,-1.08,;-.23,-1.08,;-.23,-2.62,;1.08,-3.39,;1.08,-4.92,;-.23,-5.69,;2.42,-5.69,;3.73,-4.92,;3.73,-3.36,;2.42,-2.61,;1.08,-1.82,;-1.58,-.33,;-2.9,-1.08,;-1.58,1.23,;-2.9,1.98,;-4.22,1.2,;-5.56,1.97,;-4.22,-.33,;-5.56,-1.12,;-5.96,-2.61,;-7.45,-2.2,;-7.05,-.71,;-.23,1.98,;-.23,3.53,)| 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 | PDB
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| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50162017
(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 |wD:14.15,(3.83,-.8,;2.5,-.03,;2.5,1.51,;3.83,2.28,;5.16,1.49,;6.49,2.26,;6.49,3.8,;5.16,4.57,;3.83,3.8,;2.5,4.59,;1.17,2.28,;1.17,3.82,;-.16,1.51,;-1.49,2.28,;-2.82,1.49,;-2.82,-.05,;-4.15,2.26,;-5.48,1.49,;-6.81,2.26,;-6.83,3.8,;-5.48,4.57,;-4.15,3.8,;-.16,-.03,;-1.49,-.8,;1.17,-.8,;1.17,-2.34,;-.16,-3.11,;-1.49,-2.32,;-2.82,-3.09,;-4.15,-2.32,;-2.82,-4.63,;-1.49,-5.4,;-.16,-4.63,;1.19,-5.4,;2.4,-6.1,;1.45,-6.98,;2.68,-4.83,)| 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 | PDB
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| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50162030
(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 |wD:14.15,(3.92,-1.42,;2.57,-.65,;2.57,.89,;3.92,1.67,;5.23,.88,;6.56,1.65,;6.56,3.19,;5.23,3.94,;3.9,3.19,;2.57,3.96,;1.24,1.67,;1.24,3.21,;-.09,.89,;-1.42,1.67,;-2.75,.88,;-2.75,-.66,;-4.08,1.65,;-5.41,.88,;-6.74,1.63,;-6.74,3.19,;-5.41,3.96,;-4.08,3.19,;-.09,-.65,;-1.42,-1.42,;1.24,-1.41,;1.24,-2.95,;-.09,-3.72,;-1.42,-2.94,;-2.75,-3.71,;-2.75,-5.25,;-1.4,-6.02,;-.09,-5.25,;1.26,-6,)| 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 | PDB
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| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50162020
(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 | PDB
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| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50162022
(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 | PDB
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| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50161999
((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 |r,wD:14.15,(17.08,-29.9,;15.75,-29.13,;15.75,-27.59,;17.08,-26.82,;18.41,-27.59,;19.74,-26.82,;19.74,-25.28,;18.4,-24.51,;17.07,-25.28,;15.73,-24.52,;14.42,-26.81,;14.42,-25.27,;13.09,-27.59,;11.75,-26.82,;10.42,-27.6,;10.43,-29.14,;9.09,-26.83,;9.09,-25.29,;7.76,-24.53,;6.42,-25.3,;6.43,-26.85,;7.77,-27.61,;13.09,-29.13,;11.76,-29.9,;14.42,-29.89,;14.42,-31.43,;15.75,-32.2,;17.07,-31.43,;15.73,-30.66,;18.41,-32.19,;18.41,-33.74,;17.08,-34.51,;15.74,-33.74,;14.41,-34.51,)| 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 | PDB
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| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50162008
((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 |r,wD:14.15,(32.48,-29.08,;31.15,-28.31,;31.15,-26.77,;32.48,-26,;33.81,-26.77,;35.14,-26,;35.14,-24.46,;33.8,-23.69,;32.47,-24.47,;31.13,-23.7,;29.82,-25.99,;29.82,-24.45,;28.49,-26.77,;27.15,-26.01,;25.82,-26.78,;25.83,-28.32,;24.49,-26.02,;24.49,-24.47,;23.16,-23.71,;21.82,-24.48,;21.83,-26.03,;23.17,-26.79,;28.49,-28.31,;27.16,-29.08,;29.82,-29.07,;29.82,-30.61,;31.15,-31.38,;32.47,-30.61,;31.13,-29.84,;33.81,-31.38,;33.81,-32.93,;32.48,-33.7,;31.14,-32.93,;29.81,-33.69,)| 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 | PDB
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| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 receptor
(Homo sapiens (Human)) | BDBM50149269
(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 |wU:26.28,(12.16,6.15,;10.83,5.38,;10.83,3.84,;12.18,3.07,;12.16,1.52,;10.83,.76,;9.5,1.53,;9.5,3.07,;8.17,3.84,;8.17,.77,;8.17,-.75,;9.5,-1.52,;6.82,-1.55,;6.82,-3.09,;8.15,-3.85,;9.48,-3.08,;10.58,-1.98,;10.83,-3.85,;10.83,-5.4,;9.48,-6.17,;8.15,-5.4,;6.82,-6.17,;5.49,-.77,;4.16,-1.52,;5.49,.79,;4.16,1.56,;2.83,.79,;1.5,1.56,;2.83,-.75,;1.49,-1.52,;.16,-.75,;1.48,-3.06,;6.84,1.56,;6.84,3.1,)| 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 | PDB
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| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50162004
(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 | PDB
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| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50162013
(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 |wD:26.28,(2.92,6.11,;4.25,5.34,;4.25,3.82,;5.61,3.03,;5.61,1.49,;4.25,.72,;2.95,1.51,;2.92,3.03,;1.59,3.8,;1.59,.74,;1.59,-.8,;2.95,-1.57,;.26,-1.57,;.26,-3.1,;1.59,-3.87,;2.92,-3.09,;1.59,-2.32,;4.28,-3.86,;4.28,-5.41,;2.92,-6.18,;1.59,-5.41,;.26,-6.18,;-1.04,-.8,;-2.4,-1.57,;-1.04,.74,;-2.4,1.49,;-3.73,.72,;-3.73,-.82,;-3.73,-2.36,;-5.04,-1.59,;-5.06,1.49,;-6.39,.72,;-7.72,1.47,;-7.74,3.03,;-6.39,3.8,;-5.06,3.03,;.26,1.51,;.26,3.05,)| 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 | PDB
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| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50149252
(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 |wU:26.28,(3.3,5.29,;1.97,4.52,;1.97,2.98,;3.31,2.21,;3.3,.65,;1.97,-.1,;.64,.67,;.64,2.21,;-.69,2.98,;-.7,-.09,;-.7,-1.62,;.63,-2.39,;-2.05,-2.41,;-2.05,-3.95,;-.72,-4.71,;-.72,-6.26,;-2.05,-7.03,;.61,-7.03,;1.96,-6.26,;1.96,-4.71,;.61,-3.94,;1.71,-2.85,;-3.38,-1.63,;-3.38,-3.13,;-3.38,-.08,;-4.71,.69,;-6.04,-.08,;-7.37,.69,;-6.04,-1.62,;-4.71,-2.39,;-4.73,-3.94,;-6.06,-4.7,;-7.39,-3.92,;-7.39,-2.39,;-2.03,.69,;-2.02,2.23,)| 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 | PDB
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| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50162037
(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 |wU:26.32,(2.43,6.15,;3.76,5.38,;3.76,3.85,;5.11,3.07,;5.11,1.53,;3.76,.76,;2.43,1.54,;2.43,3.07,;1.1,3.85,;1.1,.77,;1.1,-.77,;2.43,-1.54,;-.23,-1.52,;-.23,-3.06,;1.1,-3.83,;2.43,-3.06,;1.08,-2.29,;3.76,-3.83,;3.76,-5.37,;2.43,-6.14,;1.1,-5.37,;-.25,-6.14,;-1.56,-.77,;-2.89,-1.54,;-1.56,.77,;-2.89,1.54,;-4.22,.76,;-5.57,1.53,;-5.57,3.07,;-6.9,3.85,;-4.22,3.85,;-4.22,-.78,;-5.55,-1.55,;-4.22,-2.31,;-.23,1.56,;-.23,3.1,)| 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 | PDB
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| 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50149256
(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 |wD:26.36,(12.82,6.04,;11.49,5.27,;11.49,3.73,;12.83,2.96,;12.82,1.42,;11.49,.65,;10.16,1.42,;10.16,2.96,;8.83,3.73,;8.82,.67,;8.82,-.87,;10.15,-1.64,;7.47,-1.66,;7.47,-3.2,;8.8,-3.95,;10.13,-3.18,;11.23,-2.08,;11.48,-3.95,;11.48,-5.51,;10.13,-6.28,;8.8,-5.51,;7.47,-6.28,;6.14,-.87,;4.81,-1.64,;6.14,.67,;4.81,1.44,;3.48,.68,;3.48,-.86,;2.15,-1.63,;.82,-.85,;-.51,-1.61,;-.53,-3.15,;.82,-3.93,;2.15,-3.16,;2.15,1.45,;.82,.69,;2.15,2.99,;7.49,1.44,;7.5,2.98,)| 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 | PDB
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| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50149254
((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 |r,wU:2.1,(24.86,-2.08,;26.19,-1.31,;26.19,.23,;24.85,1,;24.85,2.54,;26.18,3.31,;26.18,4.85,;24.84,5.62,;23.5,4.83,;23.51,3.3,;27.52,1.01,;28.86,.24,;30.18,1.02,;30.18,2.56,;31.51,.24,;31.51,-1.3,;32.85,-2.07,;30.18,-2.06,;30.18,-3.6,;31.52,-4.37,;32.84,-3.6,;31.5,-2.83,;34.17,-4.36,;34.18,-5.91,;32.84,-6.68,;31.51,-5.91,;30.17,-6.68,;28.86,-1.3,;27.52,-2.07,;32.85,1.01,;34.17,.23,;35.51,.99,;35.52,2.53,;34.17,3.31,;34.17,4.85,;35.51,5.62,;32.84,2.54,;31.51,3.3,)| 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 | PDB
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| 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50162034
(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 | PDB
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| 8.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50162016
(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 | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50162032
(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 | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50162000
(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 |wD:14.15,(3.92,-1.42,;2.57,-.65,;2.57,.89,;3.92,1.67,;5.23,.88,;6.56,1.65,;6.56,3.19,;5.23,3.94,;3.9,3.19,;2.57,3.96,;1.24,1.67,;1.24,3.21,;-.09,.89,;-1.42,1.67,;-2.75,.88,;-2.75,-.66,;-4.08,1.65,;-5.41,.88,;-6.74,1.63,;-6.74,3.19,;-5.41,3.96,;-4.08,3.19,;-.09,-.65,;-1.42,-1.42,;1.24,-1.41,;1.24,-2.95,;-.09,-3.72,;-1.42,-2.94,;-2.75,-3.71,;-2.75,-5.25,;-1.4,-6.02,;-.09,-5.25,;1.26,-6,)| 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 | PDB
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50162003
(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 |wD:2.1,(-3.85,-2.39,;-3.85,-.85,;-3.85,.68,;-2.54,1.46,;-1.19,.69,;.15,1.49,;.15,3.03,;1.48,.69,;1.48,-.85,;2.8,-1.62,;.15,-1.59,;.15,-3.13,;1.48,-3.9,;2.8,-3.13,;1.45,-2.36,;4.14,-3.9,;4.14,-5.44,;2.8,-6.23,;1.48,-5.44,;.14,-6.23,;-1.19,-.85,;-2.51,-1.62,;2.8,1.46,;4.14,.68,;5.46,1.46,;5.48,2.99,;4.14,3.77,;4.14,5.31,;2.8,6.08,;2.8,2.99,;1.48,3.77,;-5.2,1.46,;-5.2,2.99,;-6.53,3.77,;-7.86,2.98,;-7.86,1.42,;-6.5,.68,)| 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 | PDB
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 receptor
(Homo sapiens (Human)) | BDBM50162035
(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 |wU:26.28,(2.94,6.11,;4.27,5.36,;4.27,3.82,;5.61,3.03,;5.61,1.49,;4.27,.74,;2.95,1.51,;2.94,3.05,;1.59,3.8,;1.59,.74,;1.59,-.8,;2.95,-1.57,;.28,-1.57,;.28,-3.09,;1.59,-3.86,;2.94,-3.09,;1.59,-2.32,;4.28,-3.86,;4.28,-5.4,;2.94,-6.17,;1.59,-5.4,;.26,-6.17,;-1.04,-.8,;-2.38,-1.57,;-1.04,.74,;-2.38,1.51,;-3.71,.74,;-3.71,-.8,;-3.73,-2.34,;-5.04,-1.57,;-5.06,1.51,;-6.37,.72,;-7.72,1.49,;-7.72,3.03,;-6.39,3.8,;-5.06,3.05,;.28,1.51,;.28,3.05,)| 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 | PDB
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50149261
(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 |wD:26.28,(15.8,4.99,;14.47,4.22,;14.47,2.68,;15.8,1.91,;15.8,.35,;14.47,-.4,;13.14,.37,;13.14,1.91,;11.81,2.68,;11.79,-.4,;11.79,-1.92,;13.12,-2.69,;10.46,-2.71,;10.46,-4.25,;11.79,-5.02,;11.79,-6.56,;10.45,-7.33,;13.12,-7.33,;14.45,-6.56,;14.45,-5.02,;13.12,-4.25,;14.21,-3.13,;9.13,-1.94,;7.79,-2.69,;9.13,-.38,;7.8,.39,;6.46,-.38,;5.13,.39,;6.46,-1.92,;5.12,-2.69,;3.79,-1.9,;2.46,-2.67,;2.46,-4.21,;3.79,-4.98,;5.12,-4.21,;10.46,.39,;10.48,1.93,)| 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 | PDB
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50162039
(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 |wD:23.25,(1.26,-6,;-.09,-5.25,;-1.4,-6.02,;-2.75,-5.25,;-2.75,-3.71,;-1.42,-2.94,;-.09,-3.72,;1.24,-2.95,;1.24,-1.41,;2.57,-.65,;3.92,-1.42,;2.57,.89,;3.92,1.67,;5.23,.88,;6.56,1.65,;6.56,3.19,;5.23,3.94,;3.9,3.19,;2.57,3.96,;1.24,1.67,;1.24,3.21,;-.09,.89,;-1.42,1.67,;-2.75,.88,;-2.75,-.66,;-4.08,1.65,;-5.41,.88,;-6.74,1.63,;-6.74,3.19,;-5.41,3.96,;-4.08,3.19,;-.09,-.65,;-1.42,-1.42,)| 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 | PDB
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50162040
((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 |r,wD:14.15,(-.33,-43.25,;-1.67,-42.48,;-1.67,-40.94,;-.33,-40.17,;1,-40.94,;2.33,-40.17,;2.33,-38.63,;.98,-37.86,;-.34,-38.63,;-1.68,-37.87,;-3,-40.16,;-3,-38.62,;-4.32,-40.94,;-5.66,-40.17,;-6.99,-40.95,;-6.99,-42.49,;-8.32,-40.18,;-8.33,-38.64,;-9.66,-37.87,;-10.99,-38.65,;-10.98,-40.2,;-9.65,-40.96,;-4.32,-42.48,;-5.66,-43.25,;-3,-43.24,;-3,-44.78,;-1.66,-45.55,;-1.67,-47.09,;-.34,-47.86,;1,-47.09,;.99,-45.54,;-.34,-44.78,;-1.68,-44.01,)| 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 | PDB
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50162011
(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 |wD:14.15,(4.04,-1.24,;2.69,-.47,;2.69,1.07,;4.04,1.84,;5.35,1.07,;6.7,1.82,;6.7,3.36,;5.35,4.13,;4.02,3.36,;2.69,4.15,;1.36,1.84,;1.36,3.38,;.05,1.07,;-1.3,1.84,;-2.63,1.07,;-2.63,-.47,;-3.96,1.84,;-3.96,3.36,;-5.29,4.13,;-6.63,3.36,;-6.62,1.82,;-5.29,1.05,;.05,-.47,;-1.3,-1.24,;1.36,-1.24,;1.36,-2.78,;.03,-3.55,;-1.3,-2.76,;-2.63,-3.52,;-2.63,-5.06,;-3.96,-5.84,;-1.28,-5.83,;.05,-5.06,;1.38,-5.83,)| 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 | PDB
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50162021
(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 |wU:26.28,(2.69,6.02,;4.03,5.23,;4.03,3.71,;5.37,2.92,;5.37,1.39,;4.03,.62,;2.69,1.39,;2.69,2.92,;1.36,3.71,;1.36,.62,;1.36,-.9,;2.69,-1.69,;.03,-1.68,;.03,-3.21,;1.36,-3.98,;2.69,-3.21,;1.34,-2.43,;4.03,-3.98,;4.03,-5.52,;2.69,-6.29,;1.36,-5.52,;.02,-6.29,;-1.28,-.9,;-2.63,-1.69,;-1.28,.62,;-2.63,1.39,;-3.96,.62,;-3.96,-.93,;-5.32,1.39,;-5.32,2.92,;-6.65,3.71,;-7.98,2.92,;-7.98,1.37,;-6.63,.62,;.03,1.42,;.03,2.96,)| 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 | PDB
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| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50162012
(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 |wD:26.31,(2.31,6.35,;3.65,5.59,;3.65,4.05,;4.98,3.26,;4.98,1.72,;3.65,.97,;2.32,1.74,;2.31,3.28,;.99,4.04,;.99,.97,;.99,-.57,;2.32,-1.34,;-.34,-1.34,;-.34,-2.85,;.99,-3.62,;2.31,-2.85,;.96,-2.08,;3.65,-3.62,;3.65,-5.16,;2.31,-5.93,;.99,-5.16,;-.37,-5.93,;-1.67,-.57,;-3,-1.34,;-1.67,.97,;-3.03,1.74,;-4.36,.97,;-5.69,1.72,;-7.02,.95,;-5.69,3.26,;-4.33,-.57,;-4.36,-2.11,;-5.66,-1.34,;-.34,1.75,;-.34,3.29,)| 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 | PDB
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| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50149268
(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 |wD:26.28,(12.09,5.83,;10.76,5.06,;10.76,3.54,;12.09,2.75,;12.09,1.21,;10.76,.44,;9.43,1.23,;9.43,2.75,;8.1,3.54,;8.08,.46,;8.08,-1.07,;9.41,-1.84,;6.75,-1.85,;6.75,-3.39,;8.08,-4.16,;9.41,-3.39,;10.5,-2.29,;10.74,-4.16,;10.74,-5.7,;9.41,-6.47,;8.08,-5.7,;6.74,-6.47,;5.42,-1.08,;4.08,-1.84,;5.42,.47,;4.09,1.24,;2.75,.48,;1.42,1.25,;2.75,-1.06,;1.41,-1.83,;.08,-1.06,;1.41,-3.37,;6.75,1.24,;6.77,2.78,)| 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 | PDB
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| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50162006
(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 | PDB
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| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 receptor
(Homo sapiens (Human)) | BDBM50161500
((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 |r| 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 | PDB
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| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 receptor
(Homo sapiens (Human)) | BDBM50162028
(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 |wU:26.28,(2.7,6.02,;4.03,5.25,;4.03,3.71,;5.39,2.94,;5.36,1.39,;4.03,.62,;2.7,1.39,;2.7,2.94,;1.36,3.71,;1.36,.62,;1.36,-.92,;2.7,-1.69,;.03,-1.67,;.03,-3.21,;1.36,-3.98,;2.7,-3.21,;1.36,-2.44,;4.03,-3.98,;4.03,-5.53,;2.7,-6.3,;1.36,-5.53,;.03,-6.3,;-1.3,-.92,;-2.63,-1.69,;-1.3,.62,;-2.63,1.39,;-3.97,.62,;-3.97,-.92,;-5.3,1.39,;-5.32,2.94,;-6.66,3.71,;-7.99,2.94,;-7.99,1.39,;-6.66,.62,;.03,1.42,;.03,2.96,)| 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 | PDB
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| 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50149265
(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 |wU:26.28,(4.12,9.96,;2.78,9.19,;2.78,7.65,;4.12,6.88,;4.12,5.33,;2.78,4.57,;1.45,5.34,;1.45,6.88,;.12,7.65,;.1,4.59,;.1,3.05,;1.43,2.28,;-1.23,2.26,;-1.23,.72,;.1,-.05,;.1,-1.6,;-1.24,-2.37,;1.43,-2.37,;2.76,-1.6,;2.76,-.05,;1.43,.72,;2.52,1.82,;-2.56,3.04,;-3.9,2.28,;-2.56,4.59,;-3.89,5.37,;-5.23,4.59,;-6.56,5.37,;-5.23,3.05,;-6.58,2.28,;-4.84,1.57,;-1.23,5.37,;-1.21,6.91,)| 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 | PDB
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| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50162019
(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 |wD:14.15,(3.95,-1.61,;2.61,-.84,;2.61,.7,;3.95,1.47,;5.27,.69,;6.61,1.46,;6.61,3,;5.27,3.77,;3.95,3,;2.61,3.77,;1.28,1.49,;1.28,3.03,;-.04,.7,;-1.38,1.47,;-2.7,.69,;-2.7,-.85,;-4.05,1.46,;-5.37,.69,;-6.71,1.45,;-6.71,3,;-5.38,3.77,;-4.05,3,;-.04,-.84,;-1.38,-1.61,;1.28,-1.59,;1.28,-3.13,;-.04,-3.9,;-1.38,-3.13,;-2.72,-3.9,;-2.72,-5.44,;-1.37,-6.21,;-.04,-5.44,)| 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 | PDB
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| 53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50162010
(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 |wD:14.15,(4,-1.38,;2.64,-.61,;2.64,.93,;4,1.72,;5.3,.93,;6.66,1.7,;6.66,3.24,;5.3,4.01,;3.97,3.24,;2.64,4.01,;1.31,1.72,;1.31,3.26,;.01,.93,;-1.35,1.72,;-2.68,.93,;-2.68,-.61,;-4.01,1.7,;-4.01,3.24,;-5.34,4.01,;-6.67,3.24,;-6.67,1.68,;-5.34,.93,;.01,-.61,;-1.35,-1.38,;1.31,-1.36,;1.31,-2.9,;-.02,-3.67,;-1.35,-2.89,;-2.68,-3.66,;-2.68,-5.2,;-1.32,-5.97,;-1.32,-7.51,;.01,-5.2,)| 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 | PDB
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| 61 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50162009
(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 |wD:14.15,(4.07,-1.42,;2.73,-.65,;2.73,.89,;4.07,1.67,;5.39,.88,;6.74,1.65,;6.74,3.19,;5.39,3.94,;4.07,3.19,;2.73,3.96,;1.41,1.67,;1.41,3.21,;.08,.89,;-1.26,1.67,;-2.58,.88,;-2.58,-.66,;-3.92,1.65,;-5.25,.88,;-6.57,1.63,;-6.58,3.19,;-5.25,3.96,;-3.92,3.19,;.08,-.65,;-1.26,-1.42,;1.41,-1.41,;1.41,-2.95,;.07,-3.72,;.08,-5.25,;-1.24,-6.02,;-2.58,-5.25,;-3.92,-6.03,;-2.58,-3.71,;-1.26,-2.94,)| 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 | PDB
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| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50162036
(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 |wD:14.15,(2.95,-1.61,;1.62,-.84,;1.62,.7,;2.95,1.47,;4.29,.69,;5.62,1.47,;5.62,3.01,;4.29,3.78,;2.95,3.01,;1.62,3.78,;.29,1.49,;.29,3.03,;-1.04,.7,;-2.38,1.47,;-3.71,.69,;-3.71,-.85,;-5.07,1.47,;-6.38,.69,;-7.73,1.45,;-7.73,3.01,;-6.4,3.78,;-5.07,3.01,;-1.04,-.84,;-2.38,-1.61,;.29,-1.6,;.29,-3.14,;1.62,-3.91,;1.62,-5.46,;2.95,-6.23,;4.29,-5.46,;4.29,-3.91,;2.95,-3.14,)| 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 | PDB
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| 64 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50162004
(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 | PDB
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| 65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 receptor
(Homo sapiens (Human)) | BDBM50149264
(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 |wU:26.28,(11.77,3.73,;10.44,2.96,;10.44,1.42,;11.78,.65,;11.77,-.89,;10.44,-1.66,;9.11,-.87,;9.11,.65,;7.78,1.44,;7.77,-1.64,;7.77,-3.17,;9.1,-3.94,;6.42,-3.95,;6.42,-5.49,;7.75,-6.26,;7.75,-7.8,;6.42,-8.57,;9.08,-8.57,;10.43,-7.8,;10.43,-6.26,;9.08,-5.49,;10.18,-4.39,;5.09,-3.18,;3.76,-3.94,;5.09,-1.63,;3.76,-.86,;2.43,-1.62,;1.1,-.85,;2.43,-3.16,;1.1,-3.93,;-.23,-3.16,;-1.58,-3.92,;-1.58,-5.46,;-.23,-6.24,;1.1,-5.47,;6.44,-.86,;6.45,.68,)| 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 | PDB
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| 66 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50162020
(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 | PDB
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| 74 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 receptor
(Homo sapiens (Human)) | BDBM50162018
(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 |wD:24.26,(1.22,-7.31,;1.22,-5.79,;-.12,-5.02,;-1.44,-5.79,;-2.79,-5.02,;-2.79,-3.48,;-1.46,-2.71,;-.13,-3.5,;1.2,-2.71,;1.2,-1.19,;2.53,-.43,;3.88,-1.2,;2.53,1.11,;3.88,1.91,;5.19,1.1,;6.54,1.87,;6.54,3.41,;5.19,4.17,;3.86,3.41,;2.53,4.19,;1.2,1.91,;1.2,3.45,;-.12,1.11,;-1.46,1.91,;-2.79,1.1,;-2.79,-.44,;-4.12,1.87,;-5.45,1.1,;-6.78,1.86,;-6.78,3.41,;-5.45,4.19,;-4.12,3.41,;-.12,-.43,;-1.46,-1.2,)| 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 | PDB
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| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
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