Found 28 hits Enz. Inhib. hit(s) with all data for entry = 50014931 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)) | BDBM50149255
(3-((R)-2-Cyclopentyl-2-dimethylamino-ethyl)-1-(2,6...)Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](C2CCCC2)N(C)C)c1=O |wU:26.34,(6.63,1.74,;5.3,.97,;5.3,-.57,;6.65,-1.34,;6.63,-2.89,;5.3,-3.65,;3.97,-2.88,;3.97,-1.34,;2.64,-.57,;2.64,-3.64,;2.64,-5.16,;3.97,-5.93,;1.29,-5.96,;1.29,-7.5,;2.62,-8.26,;2.62,-9.81,;1.29,-10.58,;3.95,-10.58,;5.3,-9.81,;5.3,-8.26,;3.95,-7.47,;5.05,-6.39,;-.04,-5.18,;-.05,-6.68,;-.04,-3.62,;-1.37,-2.85,;-2.7,-3.62,;-2.7,-5.16,;-3.96,-6.07,;-3.48,-7.54,;-1.94,-7.54,;-1.46,-6.07,;-4.03,-2.85,;-5.36,-3.62,;-4.03,-1.31,;1.31,-2.85,;1.31,-1.31,)| Show InChI InChI=1S/C28H32F3N3O3/c1-17-25(19-11-7-14-24(37-4)26(19)31)27(35)34(16-23(32(2)3)18-9-5-6-10-18)28(36)33(17)15-20-21(29)12-8-13-22(20)30/h7-8,11-14,18,23H,5-6,9-10,15-16H2,1-4H3/t23-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.600 | 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 towards human gonadotropin releasing hormone receptor using des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expresse... |
J Med Chem 47: 3483-6 (2004)
Article DOI: 10.1021/jm049791w
BindingDB Entry DOI: 10.7270/Q2HT2NTX |
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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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 towards human gonadotropin releasing hormone receptor using des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expresse... |
J Med Chem 47: 3483-6 (2004)
Article DOI: 10.1021/jm049791w
BindingDB Entry DOI: 10.7270/Q2HT2NTX |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50149259
(3-((S)-2-Cyclopentyl-2-dimethylamino-ethyl)-1-(2,6...)Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](C2CCCC2)N(C)C)c1=O |wD:26.34,(26.87,2.44,;25.54,1.67,;25.54,.13,;26.88,-.64,;26.87,-2.19,;25.54,-2.95,;24.21,-2.18,;24.21,-.64,;22.88,.13,;22.87,-2.94,;22.87,-4.47,;24.2,-5.24,;21.52,-5.26,;21.52,-6.8,;22.85,-7.56,;22.85,-9.11,;21.52,-9.88,;24.18,-9.88,;25.53,-9.11,;25.53,-7.56,;24.18,-6.79,;25.28,-5.69,;20.19,-4.48,;20.17,-5.94,;20.19,-2.92,;18.86,-2.15,;17.53,-2.92,;17.53,-4.47,;16.29,-5.37,;16.76,-6.84,;18.3,-6.84,;18.77,-5.38,;16.2,-2.15,;14.87,-2.92,;16.2,-.61,;21.54,-2.15,;21.55,-.61,)| Show InChI InChI=1S/C28H32F3N3O3/c1-17-25(19-11-7-14-24(37-4)26(19)31)27(35)34(16-23(32(2)3)18-9-5-6-10-18)28(36)33(17)15-20-21(29)12-8-13-22(20)30/h7-8,11-14,18,23H,5-6,9-10,15-16H2,1-4H3/t23-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.40 | 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 towards human gonadotropin releasing hormone receptor using des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expresse... |
J Med Chem 47: 3483-6 (2004)
Article DOI: 10.1021/jm049791w
BindingDB Entry DOI: 10.7270/Q2HT2NTX |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50149262
(3-((R)-2-Cyclohexyl-2-dimethylamino-ethyl)-1-(2,6-...)Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](C2CCCCC2)N(C)C)c1=O |wU:26.35,(6.63,1.74,;5.3,.97,;5.3,-.57,;6.65,-1.34,;6.63,-2.89,;5.3,-3.65,;3.97,-2.88,;3.97,-1.34,;2.64,-.57,;2.64,-3.64,;2.64,-5.16,;3.97,-5.93,;1.29,-5.96,;1.29,-7.5,;2.62,-8.26,;2.62,-9.81,;1.29,-10.58,;3.95,-10.58,;5.3,-9.81,;5.3,-8.26,;3.95,-7.47,;5.05,-6.39,;-.04,-5.18,;-.05,-6.68,;-.04,-3.62,;-1.37,-2.85,;-2.7,-3.62,;-2.7,-5.16,;-1.37,-5.93,;-1.38,-7.47,;-2.72,-8.24,;-4.05,-7.47,;-4.03,-5.93,;-4.03,-2.85,;-5.36,-3.62,;-4.03,-1.31,;1.31,-2.85,;1.31,-1.31,)| Show InChI InChI=1S/C29H34F3N3O3/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/h8-9,12-15,19,24H,5-7,10-11,16-17H2,1-4H3/t24-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.10 | 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 towards human gonadotropin releasing hormone receptor using des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expresse... |
J Med Chem 47: 3483-6 (2004)
Article DOI: 10.1021/jm049791w
BindingDB Entry DOI: 10.7270/Q2HT2NTX |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50140103
((S)-1-(2,6-difluorobenzyl)-3-(2-(cyclopentylamino)...)Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](C)NC2CCCC2)c1=O |wU:26.28,(10.27,.16,;8.93,-.64,;8.94,-2.2,;10.29,-2.96,;10.31,-4.5,;8.98,-5.28,;7.64,-4.51,;7.63,-2.97,;6.5,-1.86,;6.31,-5.29,;6.33,-6.83,;7.66,-7.59,;5,-7.61,;5,-9.15,;3.66,-9.93,;3.68,-11.45,;4.75,-12.54,;2.35,-12.23,;1,-11.47,;1,-9.93,;2.33,-9.15,;1.23,-8.05,;3.66,-6.85,;2.33,-7.61,;3.66,-5.31,;2.32,-4.53,;2.32,-2.97,;3.67,-2.19,;.96,-2.2,;.96,-.64,;-.3,.28,;.17,1.77,;1.74,1.77,;2.23,.28,;4.98,-4.53,;4.96,-2.99,)| Show InChI InChI=1S/C27H30F3N3O3/c1-16(31-18-8-4-5-9-18)14-33-26(34)24(19-10-6-13-23(36-3)25(19)30)17(2)32(27(33)35)15-20-21(28)11-7-12-22(20)29/h6-7,10-13,16,18,31H,4-5,8-9,14-15H2,1-3H3/t16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.5 | 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 towards human gonadotropin releasing hormone receptor using des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expresse... |
J Med Chem 47: 3483-6 (2004)
Article DOI: 10.1021/jm049791w
BindingDB Entry DOI: 10.7270/Q2HT2NTX |
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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 towards human gonadotropin releasing hormone receptor using des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expresse... |
J Med Chem 47: 3483-6 (2004)
Article DOI: 10.1021/jm049791w
BindingDB Entry DOI: 10.7270/Q2HT2NTX |
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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 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 towards human gonadotropin releasing hormone receptor using des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expresse... |
J Med Chem 47: 3483-6 (2004)
Article DOI: 10.1021/jm049791w
BindingDB Entry DOI: 10.7270/Q2HT2NTX |
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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 towards human gonadotropin releasing hormone receptor using des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expresse... |
J Med Chem 47: 3483-6 (2004)
Article DOI: 10.1021/jm049791w
BindingDB Entry DOI: 10.7270/Q2HT2NTX |
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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 towards human gonadotropin releasing hormone receptor using des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expresse... |
J Med Chem 47: 3483-6 (2004)
Article DOI: 10.1021/jm049791w
BindingDB Entry DOI: 10.7270/Q2HT2NTX |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50149258
(3-((R)-2-Amino-2-cyclopentyl-ethyl)-1-(2,6-difluor...)Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)C2CCCC2)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,;-4.8,-2.53,;-5.29,-3.99,;-6.83,-3.97,;-7.3,-2.52,;-2.03,.69,;-2.02,2.23,)| Show InChI InChI=1S/C26H28F3N3O3/c1-15-23(17-9-5-12-22(35-2)24(17)29)25(33)32(14-21(30)16-7-3-4-8-16)26(34)31(15)13-18-19(27)10-6-11-20(18)28/h5-6,9-12,16,21H,3-4,7-8,13-14,30H2,1-2H3/t21-/m0/s1 | PDB
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| 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 towards human gonadotropin releasing hormone receptor using des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expresse... |
J Med Chem 47: 3483-6 (2004)
Article DOI: 10.1021/jm049791w
BindingDB Entry DOI: 10.7270/Q2HT2NTX |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50149260
(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](CC(C)C)NC(C)C)c1=O |wU:26.32,(9.92,5.69,;8.59,4.94,;8.59,3.38,;9.94,2.61,;9.92,1.07,;8.59,.3,;7.26,1.09,;7.26,2.61,;5.93,3.4,;5.93,.32,;5.93,-1.21,;7.26,-1.98,;4.58,-1.99,;4.58,-3.53,;5.91,-4.3,;7.24,-3.53,;8.34,-2.43,;8.59,-4.3,;8.59,-5.84,;7.24,-6.61,;5.91,-5.84,;4.58,-6.61,;3.25,-1.22,;1.92,-1.98,;3.25,.33,;1.92,1.1,;.59,.34,;.59,-1.2,;-.75,-1.97,;-2.08,-1.2,;-.76,-3.51,;-.74,1.11,;-2.07,.34,;-3.56,.76,;-2.85,-.99,;4.6,1.1,;4.6,2.64,)| Show InChI InChI=1S/C28H34F3N3O3/c1-16(2)13-19(32-17(3)4)14-34-27(35)25(20-9-7-12-24(37-6)26(20)31)18(5)33(28(34)36)15-21-22(29)10-8-11-23(21)30/h7-12,16-17,19,32H,13-15H2,1-6H3/t19-/m1/s1 | PDB
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| 12 | 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 towards human gonadotropin releasing hormone receptor using des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expresse... |
J Med Chem 47: 3483-6 (2004)
Article DOI: 10.1021/jm049791w
BindingDB Entry DOI: 10.7270/Q2HT2NTX |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50149251
(3-((R)-2-Cyclopentyl-2-isopropylamino-ethyl)-1-(2,...)Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](NC(C)C)C2CCCC2)c1=O |wU:26.28,(6.63,1.74,;5.3,.97,;5.3,-.57,;6.65,-1.34,;6.63,-2.89,;5.3,-3.65,;3.97,-2.88,;3.97,-1.34,;2.64,-.57,;2.64,-3.64,;2.64,-5.16,;3.97,-5.93,;1.29,-5.96,;1.29,-7.5,;2.62,-8.26,;2.62,-9.81,;1.29,-10.58,;3.95,-10.58,;5.3,-9.81,;5.3,-8.26,;3.95,-7.47,;5.05,-6.39,;-.04,-5.18,;-.05,-6.68,;-.04,-3.62,;-1.37,-2.85,;-2.7,-3.62,;-4.03,-2.85,;-5.36,-3.62,;-6.7,-2.83,;-5.37,-5.16,;-2.7,-5.16,;-1.46,-6.07,;-1.94,-7.54,;-3.48,-7.54,;-3.96,-6.07,;1.31,-2.85,;1.31,-1.31,)| Show InChI InChI=1S/C29H34F3N3O3/c1-17(2)33-24(19-9-5-6-10-19)16-35-28(36)26(20-11-7-14-25(38-4)27(20)32)18(3)34(29(35)37)15-21-22(30)12-8-13-23(21)31/h7-8,11-14,17,19,24,33H,5-6,9-10,15-16H2,1-4H3/t24-/m0/s1 | PDB
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| 12 | 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 towards human gonadotropin releasing hormone receptor using des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expresse... |
J Med Chem 47: 3483-6 (2004)
Article DOI: 10.1021/jm049791w
BindingDB Entry DOI: 10.7270/Q2HT2NTX |
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 towards human gonadotropin releasing hormone receptor using des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expresse... |
J Med Chem 47: 3483-6 (2004)
Article DOI: 10.1021/jm049791w
BindingDB Entry DOI: 10.7270/Q2HT2NTX |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50149250
(3-((R)-2-Cyclohexyl-2-isopropylamino-ethyl)-1-(2,6...)Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](NC(C)C)C2CCCCC2)c1=O |wU:26.28,(6.63,1.74,;5.3,.97,;5.3,-.57,;6.65,-1.34,;6.63,-2.89,;5.3,-3.65,;3.97,-2.88,;3.97,-1.34,;2.64,-.57,;2.64,-3.64,;2.64,-5.16,;3.97,-5.93,;1.29,-5.96,;1.29,-7.5,;2.62,-8.26,;2.62,-9.81,;1.29,-10.58,;3.95,-10.58,;5.3,-9.81,;5.3,-8.26,;3.95,-7.47,;5.05,-6.39,;-.04,-5.18,;-.05,-6.68,;-.04,-3.62,;-1.37,-2.85,;-2.7,-3.62,;-4.03,-2.85,;-5.36,-3.62,;-6.7,-2.83,;-5.37,-5.16,;-2.7,-5.16,;-1.37,-5.93,;-1.38,-7.47,;-2.72,-8.24,;-4.05,-7.47,;-4.03,-5.93,;1.31,-2.85,;1.31,-1.31,)| Show InChI InChI=1S/C30H36F3N3O3/c1-18(2)34-25(20-10-6-5-7-11-20)17-36-29(37)27(21-12-8-15-26(39-4)28(21)33)19(3)35(30(36)38)16-22-23(31)13-9-14-24(22)32/h8-9,12-15,18,20,25,34H,5-7,10-11,16-17H2,1-4H3/t25-/m0/s1 | PDB
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| 23 | 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 towards human gonadotropin releasing hormone receptor using des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expresse... |
J Med Chem 47: 3483-6 (2004)
Article DOI: 10.1021/jm049791w
BindingDB Entry DOI: 10.7270/Q2HT2NTX |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50132728
(1-(2,6-Difluoro-benzyl)-5-(3-methoxy-phenyl)-6-met...)Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CCN(C)CCc2ccccn2)c1=O Show InChI InChI=1S/C29H30F2N4O3/c1-20-27(21-8-6-10-23(18-21)38-3)28(36)34(17-16-33(2)15-13-22-9-4-5-14-32-22)29(37)35(20)19-24-25(30)11-7-12-26(24)31/h4-12,14,18H,13,15-17,19H2,1-3H3 | PDB
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| 34 | 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 towards human gonadotropin releasing hormone receptor using des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expresse... |
J Med Chem 47: 3483-6 (2004)
Article DOI: 10.1021/jm049791w
BindingDB Entry DOI: 10.7270/Q2HT2NTX |
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 towards human gonadotropin releasing hormone receptor using des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expresse... |
J Med Chem 47: 3483-6 (2004)
Article DOI: 10.1021/jm049791w
BindingDB Entry DOI: 10.7270/Q2HT2NTX |
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 towards human gonadotropin releasing hormone receptor using des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expresse... |
J Med Chem 47: 3483-6 (2004)
Article DOI: 10.1021/jm049791w
BindingDB Entry DOI: 10.7270/Q2HT2NTX |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50140102
(3-((S)-2-Benzylamino-propyl)-1-(2,6-difluoro-benzy...)Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](C)NCc2ccccc2)c1=O |wU:26.28,(4.84,1.97,;3.5,1.18,;3.51,-.38,;4.84,-1.13,;4.87,-2.67,;3.55,-3.44,;2.23,-2.67,;2.2,-1.16,;1.09,-.05,;.9,-3.45,;.9,-5,;2.24,-5.76,;-.42,-5.76,;-.42,-7.3,;-1.74,-8.07,;-3.07,-7.3,;-4.17,-6.2,;-4.4,-8.07,;-4.39,-9.61,;-3.04,-10.36,;-1.74,-9.6,;-.65,-10.67,;-1.76,-5.01,;-3.08,-5.76,;-1.76,-3.48,;-3.08,-2.71,;-3.08,-1.16,;-1.74,-.36,;-4.43,-.38,;-4.43,1.18,;-5.9,1.69,;-6.2,3.22,;-7.67,3.73,;-8.84,2.7,;-8.55,1.17,;-7.07,.68,;-.44,-2.7,;-.44,-1.16,)| Show InChI InChI=1S/C29H28F3N3O3/c1-18(33-15-20-9-5-4-6-10-20)16-35-28(36)26(21-11-7-14-25(38-3)27(21)32)19(2)34(29(35)37)17-22-23(30)12-8-13-24(22)31/h4-14,18,33H,15-17H2,1-3H3/t18-/m0/s1 | 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 towards human gonadotropin releasing hormone receptor using des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expresse... |
J Med Chem 47: 3483-6 (2004)
Article DOI: 10.1021/jm049791w
BindingDB Entry DOI: 10.7270/Q2HT2NTX |
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 towards human gonadotropin releasing hormone receptor using des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expresse... |
J Med Chem 47: 3483-6 (2004)
Article DOI: 10.1021/jm049791w
BindingDB Entry DOI: 10.7270/Q2HT2NTX |
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 towards human gonadotropin releasing hormone receptor using des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expresse... |
J Med Chem 47: 3483-6 (2004)
Article DOI: 10.1021/jm049791w
BindingDB Entry DOI: 10.7270/Q2HT2NTX |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50149249
(3-((R)-2-Amino-4,4-dimethyl-pentyl)-1-(2,6-difluor...)Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)CC(C)(C)C)c1=O |wU:26.28,(15.11,4.27,;13.77,3.5,;13.77,1.96,;15.11,1.19,;15.11,-.36,;13.77,-1.12,;12.44,-.33,;12.44,1.19,;11.11,1.98,;11.09,-1.1,;11.09,-2.64,;12.42,-3.41,;9.76,-3.41,;9.76,-4.96,;11.09,-5.73,;11.09,-7.27,;9.75,-8.04,;12.42,-8.04,;13.75,-7.27,;13.75,-5.73,;12.42,-4.96,;13.51,-3.86,;8.43,-2.64,;7.09,-3.41,;8.43,-1.1,;7.1,-.33,;5.76,-1.08,;4.43,-.31,;5.76,-2.62,;4.42,-3.39,;3.09,-2.62,;3.08,-4.16,;4.42,-4.93,;9.76,-.33,;9.78,1.21,)| Show InChI InChI=1S/C26H30F3N3O3/c1-15-22(17-8-6-11-21(35-5)23(17)29)24(33)32(13-16(30)12-26(2,3)4)25(34)31(15)14-18-19(27)9-7-10-20(18)28/h6-11,16H,12-14,30H2,1-5H3/t16-/m1/s1 | PDB
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| 71 | 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 towards human gonadotropin releasing hormone receptor using des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expresse... |
J Med Chem 47: 3483-6 (2004)
Article DOI: 10.1021/jm049791w
BindingDB Entry DOI: 10.7270/Q2HT2NTX |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50149270
(3-((S)-2-Amino-2-cyclopentyl-ethyl)-1-(2,6-difluor...)Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](N)C2CCCC2)c1=O |wD:26.28,(26.35,5.99,;25.01,5.22,;25.01,3.68,;26.35,2.91,;26.35,1.37,;25.01,.6,;23.68,1.38,;23.68,2.91,;22.35,3.69,;22.34,.62,;22.34,-.92,;23.67,-1.69,;21.01,-1.7,;21.01,-3.24,;22.34,-4.01,;22.34,-5.55,;21,-6.32,;23.67,-6.32,;25,-5.55,;25,-4,;23.67,-3.23,;24.76,-2.13,;19.68,-.92,;19.65,-2.39,;19.68,.62,;18.35,1.39,;17.01,.63,;15.68,1.4,;17.01,-.91,;18.25,-1.8,;17.76,-3.27,;16.22,-3.27,;15.76,-1.8,;21.01,1.39,;21.02,2.93,)| Show InChI InChI=1S/C26H28F3N3O3/c1-15-23(17-9-5-12-22(35-2)24(17)29)25(33)32(14-21(30)16-7-3-4-8-16)26(34)31(15)13-18-19(27)10-6-11-20(18)28/h5-6,9-12,16,21H,3-4,7-8,13-14,30H2,1-2H3/t21-/m1/s1 | PDB
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| 94 | 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 towards human gonadotropin releasing hormone receptor using des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expresse... |
J Med Chem 47: 3483-6 (2004)
Article DOI: 10.1021/jm049791w
BindingDB Entry DOI: 10.7270/Q2HT2NTX |
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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| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Tested for binding affinity of the compound towards monkey gonadotropin releasing hormone receptor |
J Med Chem 47: 3483-6 (2004)
Article DOI: 10.1021/jm049791w
BindingDB Entry DOI: 10.7270/Q2HT2NTX |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50149253
(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 |wU:26.29,(5.29,-3.86,;3.95,-4.63,;3.95,-6.17,;5.29,-6.94,;5.29,-8.5,;3.95,-9.26,;2.62,-8.49,;2.62,-6.94,;1.28,-6.17,;1.27,-9.25,;1.27,-10.78,;2.6,-11.55,;-.06,-11.57,;-.06,-13.11,;1.27,-13.87,;1.27,-15.42,;-.07,-16.19,;2.6,-16.19,;3.93,-15.42,;3.93,-13.87,;2.6,-13.1,;3.69,-12.01,;-1.39,-10.79,;-2.73,-11.55,;-1.39,-9.23,;-2.72,-8.46,;-4.06,-9.23,;-4.06,-10.78,;-5.4,-8.46,;-.06,-8.46,;-.05,-6.92,)| 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 | PDB
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| 595 | 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 towards human gonadotropin releasing hormone receptor using des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expresse... |
J Med Chem 47: 3483-6 (2004)
Article DOI: 10.1021/jm049791w
BindingDB Entry DOI: 10.7270/Q2HT2NTX |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50149257
(3-((S)-2-Amino-4-phenyl-butyl)-1-(2,6-difluoro-ben...)Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](N)CCc2ccccc2)c1=O |wD:26.28,(13.94,6.45,;12.6,5.67,;12.6,4.13,;13.94,3.36,;13.94,1.82,;12.6,1.04,;11.27,1.82,;11.27,3.36,;9.94,4.14,;9.92,1.07,;9.92,-.48,;11.25,-1.25,;8.59,-1.26,;8.59,-2.81,;9.92,-3.58,;11.25,-2.79,;12.35,-1.69,;12.59,-3.56,;12.59,-5.12,;11.25,-5.89,;9.92,-5.12,;8.58,-5.89,;7.26,-.48,;5.92,-1.25,;7.26,1.07,;5.92,1.84,;4.57,1.08,;3.25,1.85,;4.57,-.47,;3.23,-1.24,;3.23,-2.77,;1.92,-3.53,;1.92,-5.06,;3.25,-5.82,;4.57,-5.05,;4.57,-3.52,;8.59,1.84,;8.6,3.38,)| Show InChI InChI=1S/C29H28F3N3O3/c1-18-26(21-10-6-13-25(38-2)27(21)32)28(36)35(16-20(33)15-14-19-8-4-3-5-9-19)29(37)34(18)17-22-23(30)11-7-12-24(22)31/h3-13,20H,14-17,33H2,1-2H3/t20-/m0/s1 | PDB
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| 965 | 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 towards human gonadotropin releasing hormone receptor using des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expresse... |
J Med Chem 47: 3483-6 (2004)
Article DOI: 10.1021/jm049791w
BindingDB Entry DOI: 10.7270/Q2HT2NTX |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50149267
(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 |wD:26.28,(23.22,8.17,;21.87,7.4,;21.87,5.87,;23.22,5.09,;23.22,3.54,;21.87,2.78,;20.54,3.56,;20.54,5.09,;19.21,5.87,;19.21,2.79,;19.21,1.26,;20.54,.49,;17.87,.48,;17.87,-1.06,;19.2,-1.83,;19.2,-3.37,;17.86,-4.14,;20.53,-4.14,;21.87,-3.37,;21.87,-1.83,;20.53,-1.06,;21.61,.04,;16.54,1.25,;15.2,.49,;16.54,2.8,;15.21,3.57,;13.87,2.82,;12.54,3.59,;13.87,1.28,;12.54,.51,;14.26,-.22,;17.88,3.57,;17.88,5.11,)| 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 | PDB
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| 973 | 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 towards human gonadotropin releasing hormone receptor using des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expresse... |
J Med Chem 47: 3483-6 (2004)
Article DOI: 10.1021/jm049791w
BindingDB Entry DOI: 10.7270/Q2HT2NTX |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50149266
(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 |wD:26.29,(24.66,-3.65,;23.32,-4.42,;23.32,-5.96,;24.67,-6.73,;24.66,-8.27,;23.32,-9.04,;21.99,-8.26,;21.99,-6.73,;20.66,-5.95,;20.66,-9.01,;20.66,-10.55,;21.99,-11.32,;19.32,-11.34,;19.32,-12.88,;20.65,-13.65,;20.65,-15.19,;19.3,-15.96,;21.98,-15.96,;23.32,-15.19,;23.32,-13.63,;21.98,-12.86,;23.06,-11.77,;17.99,-10.55,;16.64,-11.32,;17.99,-9.01,;16.66,-8.24,;15.31,-9.01,;15.31,-10.55,;13.98,-8.24,;19.33,-8.24,;19.33,-6.7,)| 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 | PDB
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| >1.00E+4 | 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 towards human gonadotropin releasing hormone receptor using des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expresse... |
J Med Chem 47: 3483-6 (2004)
Article DOI: 10.1021/jm049791w
BindingDB Entry DOI: 10.7270/Q2HT2NTX |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | 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 | KEGG
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| 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Tested for binding affinity of the compound towards rat gonadotropin releasing hormone receptor |
J Med Chem 47: 3483-6 (2004)
Article DOI: 10.1021/jm049791w
BindingDB Entry DOI: 10.7270/Q2HT2NTX |
More data for this
Ligand-Target Pair | |
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