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PubMed code 15341961

Compile data set for download or QSAR
Found 31 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50152714
PNG
((R)-1-(2,6-difluorobenzyl)-3-(2-amino-2-phenylethy...)
Show SMILES Cc1c(-c2ccc(Cl)s2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
Show InChI InChI=1S/C24H20ClF2N3O2S/c1-14-22(20-10-11-21(25)33-20)23(31)30(13-19(28)15-6-3-2-4-7-15)24(32)29(14)12-16-17(26)8-5-9-18(16)27/h2-11,19H,12-13,28H2,1H3/t19-/m0/s1
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2n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Gonadotropin-releasing hormone receptor expressed in RBL cells was determined by using [125I]-GnRH as radioliga...


Bioorg Med Chem Lett 14: 4967-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.022
BindingDB Entry DOI: 10.7270/Q2FF3RT4
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50152708
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-ben...)
Show SMILES Cc1ccc(s1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O
Show InChI InChI=1S/C25H23F2N3O2S/c1-15-11-12-22(33-15)23-16(2)29(13-18-19(26)9-6-10-20(18)27)25(32)30(24(23)31)14-21(28)17-7-4-3-5-8-17/h3-12,21H,13-14,28H2,1-2H3/t21-/m0/s1
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3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Gonadotropin-releasing hormone receptor expressed in RBL cells was determined by using [125I]-GnRH as radioliga...


Bioorg Med Chem Lett 14: 4967-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.022
BindingDB Entry DOI: 10.7270/Q2FF3RT4
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50132726
PNG
((R)-1-(2,6-difluorobenzyl)-5-(3-methoxyphenyl)-6-m...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](C)N(C)Cc2ccccn2)c1=O
Show InChI InChI=1S/C29H30F2N4O3/c1-19(33(3)17-22-10-5-6-14-32-22)16-35-28(36)27(21-9-7-11-23(15-21)38-4)20(2)34(29(35)37)18-24-25(30)12-8-13-26(24)31/h5-15,19H,16-18H2,1-4H3/t19-/m1/s1
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5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Gonadotropin-releasing hormone receptor expressed in RBL cells was determined by using [125I]-GnRH as radioliga...


Bioorg Med Chem Lett 14: 4967-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.022
BindingDB Entry DOI: 10.7270/Q2FF3RT4
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50152717
PNG
((4-{4-[3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-diflu...)
Show SMILES CCOC(=O)Nc1ccc(cc1)-c1nc(cs1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O
Show InChI InChI=1S/C32H29F2N5O4S/c1-3-43-31(41)36-22-14-12-21(13-15-22)29-37-27(18-44-29)28-19(2)38(16-23-24(33)10-7-11-25(23)34)32(42)39(30(28)40)17-26(35)20-8-5-4-6-9-20/h4-15,18,26H,3,16-17,35H2,1-2H3,(H,36,41)/t26-/m0/s1
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7n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Gonadotropin-releasing hormone receptor expressed in RBL cells was determined by using [125I]-GnRH as radioliga...


Bioorg Med Chem Lett 14: 4967-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.022
BindingDB Entry DOI: 10.7270/Q2FF3RT4
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50152727
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-5-(2-benzyl-thiazol...)
Show SMILES Cc1c(-c2csc(Cc3ccccc3)n2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
Show InChI InChI=1S/C30H26F2N4O2S/c1-19-28(26-18-39-27(34-26)15-20-9-4-2-5-10-20)29(37)36(17-25(33)21-11-6-3-7-12-21)30(38)35(19)16-22-23(31)13-8-14-24(22)32/h2-14,18,25H,15-17,33H2,1H3/t25-/m0/s1
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9n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Gonadotropin-releasing hormone receptor expressed in RBL cells was determined by using [125I]-GnRH as radioliga...


Bioorg Med Chem Lett 14: 4967-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.022
BindingDB Entry DOI: 10.7270/Q2FF3RT4
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50152711
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-ben...)
Show SMILES Cc1c(-c2cccs2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
Show InChI InChI=1S/C24H21F2N3O2S/c1-15-22(21-11-6-12-32-21)23(30)29(14-20(27)16-7-3-2-4-8-16)24(31)28(15)13-17-18(25)9-5-10-19(17)26/h2-12,20H,13-14,27H2,1H3/t20-/m0/s1
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10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Gonadotropin-releasing hormone receptor expressed in RBL cells was determined by using [125I]-GnRH as radioliga...


Bioorg Med Chem Lett 14: 4967-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.022
BindingDB Entry DOI: 10.7270/Q2FF3RT4
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50152722
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-5-(4-chloro-phenyl)...)
Show SMILES Cc1c(-c2ccc(Cl)cc2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
Show InChI InChI=1S/C26H22ClF2N3O2/c1-16-24(18-10-12-19(27)13-11-18)25(33)32(15-23(30)17-6-3-2-4-7-17)26(34)31(16)14-20-21(28)8-5-9-22(20)29/h2-13,23H,14-15,30H2,1H3/t23-/m0/s1
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14n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Gonadotropin-releasing hormone receptor expressed in RBL cells was determined by using [125I]-GnRH as radioliga...


Bioorg Med Chem Lett 14: 4967-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.022
BindingDB Entry DOI: 10.7270/Q2FF3RT4
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50152703
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-5-[2-(4-chloro-phen...)
Show SMILES Cc1c(-c2csc(n2)-c2ccc(Cl)cc2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
Show InChI InChI=1S/C29H23ClF2N4O2S/c1-17-26(25-16-39-27(34-25)19-10-12-20(30)13-11-19)28(37)36(15-24(33)18-6-3-2-4-7-18)29(38)35(17)14-21-22(31)8-5-9-23(21)32/h2-13,16,24H,14-15,33H2,1H3/t24-/m0/s1
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15n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Gonadotropin-releasing hormone receptor expressed in RBL cells was determined by using [125I]-GnRH as radioliga...


Bioorg Med Chem Lett 14: 4967-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.022
BindingDB Entry DOI: 10.7270/Q2FF3RT4
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50152699
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-ben...)
Show SMILES Cc1ccc(cc1)-c1nc(cs1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O
Show InChI InChI=1S/C30H26F2N4O2S/c1-18-11-13-21(14-12-18)28-34-26(17-39-28)27-19(2)35(15-22-23(31)9-6-10-24(22)32)30(38)36(29(27)37)16-25(33)20-7-4-3-5-8-20/h3-14,17,25H,15-16,33H2,1-2H3/t25-/m0/s1
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18n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Gonadotropin-releasing hormone receptor expressed in RBL cells was determined by using [125I]-GnRH as radioliga...


Bioorg Med Chem Lett 14: 4967-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.022
BindingDB Entry DOI: 10.7270/Q2FF3RT4
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50152715
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-ben...)
Show SMILES Cc1c(-c2csc(n2)-c2ccc3OCCc3c2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
Show InChI InChI=1S/C31H26F2N4O3S/c1-18-28(26-17-41-29(35-26)21-10-11-27-20(14-21)12-13-40-27)30(38)37(16-25(34)19-6-3-2-4-7-19)31(39)36(18)15-22-23(32)8-5-9-24(22)33/h2-11,14,17,25H,12-13,15-16,34H2,1H3/t25-/m0/s1
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20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Gonadotropin-releasing hormone receptor expressed in RBL cells was determined by using [125I]-GnRH as radioliga...


Bioorg Med Chem Lett 14: 4967-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.022
BindingDB Entry DOI: 10.7270/Q2FF3RT4
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50152701
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-ben...)
Show SMILES Cc1c(-c2csc(n2)-c2ccccc2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
Show InChI InChI=1S/C29H24F2N4O2S/c1-18-26(25-17-38-27(33-25)20-11-6-3-7-12-20)28(36)35(16-24(32)19-9-4-2-5-10-19)29(37)34(18)15-21-22(30)13-8-14-23(21)31/h2-14,17,24H,15-16,32H2,1H3/t24-/m0/s1
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26n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Gonadotropin-releasing hormone receptor expressed in RBL cells was determined by using [125I]-GnRH as radioliga...


Bioorg Med Chem Lett 14: 4967-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.022
BindingDB Entry DOI: 10.7270/Q2FF3RT4
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50152698
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-5-[2-(2-chloro-phen...)
Show SMILES Cc1c(-c2csc(n2)-c2ccccc2Cl)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
Show InChI InChI=1S/C29H23ClF2N4O2S/c1-17-26(25-16-39-27(34-25)19-10-5-6-11-21(19)30)28(37)36(15-24(33)18-8-3-2-4-9-18)29(38)35(17)14-20-22(31)12-7-13-23(20)32/h2-13,16,24H,14-15,33H2,1H3/t24-/m0/s1
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30n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Gonadotropin-releasing hormone receptor expressed in RBL cells was determined by using [125I]-GnRH as radioliga...


Bioorg Med Chem Lett 14: 4967-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.022
BindingDB Entry DOI: 10.7270/Q2FF3RT4
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50152710
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-ben...)
Show SMILES COc1ccc(Nc2nc(cs2)-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)cc1OC
Show InChI InChI=1S/C31H29F2N5O4S/c1-18-28(25-17-43-30(36-25)35-20-12-13-26(41-2)27(14-20)42-3)29(39)38(16-24(34)19-8-5-4-6-9-19)31(40)37(18)15-21-22(32)10-7-11-23(21)33/h4-14,17,24H,15-16,34H2,1-3H3,(H,35,36)/t24-/m0/s1
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33n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Gonadotropin-releasing hormone receptor expressed in RBL cells was determined by using [125I]-GnRH as radioliga...


Bioorg Med Chem Lett 14: 4967-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.022
BindingDB Entry DOI: 10.7270/Q2FF3RT4
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50152718
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-ben...)
Show SMILES CN(c1nc(cs1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O)c1ccccc1
Show InChI InChI=1S/C30H27F2N5O2S/c1-19-27(26-18-40-29(34-26)35(2)21-12-7-4-8-13-21)28(38)37(17-25(33)20-10-5-3-6-11-20)30(39)36(19)16-22-23(31)14-9-15-24(22)32/h3-15,18,25H,16-17,33H2,1-2H3/t25-/m0/s1
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34n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Gonadotropin-releasing hormone receptor expressed in RBL cells was determined by using [125I]-GnRH as radioliga...


Bioorg Med Chem Lett 14: 4967-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.022
BindingDB Entry DOI: 10.7270/Q2FF3RT4
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50152709
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-5-(2-benzylamino-th...)
Show SMILES Cc1c(-c2csc(NCc3ccccc3)n2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
Show InChI InChI=1S/C30H27F2N5O2S/c1-19-27(26-18-40-29(35-26)34-15-20-9-4-2-5-10-20)28(38)37(17-25(33)21-11-6-3-7-12-21)30(39)36(19)16-22-23(31)13-8-14-24(22)32/h2-14,18,25H,15-17,33H2,1H3,(H,34,35)/t25-/m0/s1
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35n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Gonadotropin-releasing hormone receptor expressed in RBL cells was determined by using [125I]-GnRH as radioliga...


Bioorg Med Chem Lett 14: 4967-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.022
BindingDB Entry DOI: 10.7270/Q2FF3RT4
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50152702
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-ben...)
Show SMILES Cc1c(-c2csc(n2)-c2ccc(F)cc2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
Show InChI InChI=1S/C29H23F3N4O2S/c1-17-26(25-16-39-27(34-25)19-10-12-20(30)13-11-19)28(37)36(15-24(33)18-6-3-2-4-7-18)29(38)35(17)14-21-22(31)8-5-9-23(21)32/h2-13,16,24H,14-15,33H2,1H3/t24-/m0/s1
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42n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Gonadotropin-releasing hormone receptor expressed in RBL cells was determined by using [125I]-GnRH as radioliga...


Bioorg Med Chem Lett 14: 4967-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.022
BindingDB Entry DOI: 10.7270/Q2FF3RT4
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50152724
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-ben...)
Show SMILES COc1ccc(Nc2nc(cs2)-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)cc1
Show InChI InChI=1S/C30H27F2N5O3S/c1-18-27(26-17-41-29(35-26)34-20-11-13-21(40-2)14-12-20)28(38)37(16-25(33)19-7-4-3-5-8-19)30(39)36(18)15-22-23(31)9-6-10-24(22)32/h3-14,17,25H,15-16,33H2,1-2H3,(H,34,35)/t25-/m0/s1
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42n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Gonadotropin-releasing hormone receptor expressed in RBL cells was determined by using [125I]-GnRH as radioliga...


Bioorg Med Chem Lett 14: 4967-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.022
BindingDB Entry DOI: 10.7270/Q2FF3RT4
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50152726
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-ben...)
Show SMILES Cc1c(-c2csc(n2)-c2ccc(cc2)C(F)(F)F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
Show InChI InChI=1S/C30H23F5N4O2S/c1-17-26(25-16-42-27(37-25)19-10-12-20(13-11-19)30(33,34)35)28(40)39(15-24(36)18-6-3-2-4-7-18)29(41)38(17)14-21-22(31)8-5-9-23(21)32/h2-13,16,24H,14-15,36H2,1H3/t24-/m0/s1
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47n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Gonadotropin-releasing hormone receptor expressed in RBL cells was determined by using [125I]-GnRH as radioliga...


Bioorg Med Chem Lett 14: 4967-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.022
BindingDB Entry DOI: 10.7270/Q2FF3RT4
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50152705
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-ben...)
Show SMILES Cc1ccc(Nc2nc(cs2)-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)cc1
Show InChI InChI=1S/C30H27F2N5O2S/c1-18-11-13-21(14-12-18)34-29-35-26(17-40-29)27-19(2)36(15-22-23(31)9-6-10-24(22)32)30(39)37(28(27)38)16-25(33)20-7-4-3-5-8-20/h3-14,17,25H,15-16,33H2,1-2H3,(H,34,35)/t25-/m0/s1
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49n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Gonadotropin-releasing hormone receptor expressed in RBL cells was determined by using [125I]-GnRH as radioliga...


Bioorg Med Chem Lett 14: 4967-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.022
BindingDB Entry DOI: 10.7270/Q2FF3RT4
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50152704
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-ben...)
Show SMILES Cc1ccc(cc1F)-c1nc(cs1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O
Show InChI InChI=1S/C30H25F3N4O2S/c1-17-11-12-20(13-24(17)33)28-35-26(16-40-28)27-18(2)36(14-21-22(31)9-6-10-23(21)32)30(39)37(29(27)38)15-25(34)19-7-4-3-5-8-19/h3-13,16,25H,14-15,34H2,1-2H3/t25-/m0/s1
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49n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Gonadotropin-releasing hormone receptor expressed in RBL cells was determined by using [125I]-GnRH as radioliga...


Bioorg Med Chem Lett 14: 4967-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.022
BindingDB Entry DOI: 10.7270/Q2FF3RT4
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50152700
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-ben...)
Show SMILES Cc1c(-c2csc(Nc3ccccc3)n2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
Show InChI InChI=1S/C29H25F2N5O2S/c1-18-26(25-17-39-28(34-25)33-20-11-6-3-7-12-20)27(37)36(16-24(32)19-9-4-2-5-10-19)29(38)35(18)15-21-22(30)13-8-14-23(21)31/h2-14,17,24H,15-16,32H2,1H3,(H,33,34)/t24-/m0/s1
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70n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Gonadotropin-releasing hormone receptor expressed in RBL cells was determined by using [125I]-GnRH as radioliga...


Bioorg Med Chem Lett 14: 4967-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.022
BindingDB Entry DOI: 10.7270/Q2FF3RT4
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50152725
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-ben...)
Show SMILES Cc1nc(cs1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O
Show InChI InChI=1S/C24H22F2N4O2S/c1-14-22(21-13-33-15(2)28-21)23(31)30(12-20(27)16-7-4-3-5-8-16)24(32)29(14)11-17-18(25)9-6-10-19(17)26/h3-10,13,20H,11-12,27H2,1-2H3/t20-/m0/s1
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120n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Gonadotropin-releasing hormone receptor expressed in RBL cells was determined by using [125I]-GnRH as radioliga...


Bioorg Med Chem Lett 14: 4967-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.022
BindingDB Entry DOI: 10.7270/Q2FF3RT4
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50152706
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-ben...)
Show SMILES COc1ccccc1Nc1nc(cs1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O
Show InChI InChI=1S/C30H27F2N5O3S/c1-18-27(25-17-41-29(35-25)34-24-13-6-7-14-26(24)40-2)28(38)37(16-23(33)19-9-4-3-5-10-19)30(39)36(18)15-20-21(31)11-8-12-22(20)32/h3-14,17,23H,15-16,33H2,1-2H3,(H,34,35)/t23-/m0/s1
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130n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Gonadotropin-releasing hormone receptor expressed in RBL cells was determined by using [125I]-GnRH as radioliga...


Bioorg Med Chem Lett 14: 4967-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.022
BindingDB Entry DOI: 10.7270/Q2FF3RT4
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50152713
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-ben...)
Show SMILES Cc1ccc(Nc2nc(cs2)-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c(C)c1
Show InChI InChI=1S/C31H29F2N5O2S/c1-18-12-13-26(19(2)14-18)35-30-36-27(17-41-30)28-20(3)37(15-22-23(32)10-7-11-24(22)33)31(40)38(29(28)39)16-25(34)21-8-5-4-6-9-21/h4-14,17,25H,15-16,34H2,1-3H3,(H,35,36)/t25-/m0/s1
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130n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Gonadotropin-releasing hormone receptor expressed in RBL cells was determined by using [125I]-GnRH as radioliga...


Bioorg Med Chem Lett 14: 4967-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.022
BindingDB Entry DOI: 10.7270/Q2FF3RT4
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50152721
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-ben...)
Show SMILES Cc1c(-c2csc(n2)-c2cccc(c2)C(F)(F)F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
Show InChI InChI=1S/C30H23F5N4O2S/c1-17-26(25-16-42-27(37-25)19-9-5-10-20(13-19)30(33,34)35)28(40)39(15-24(36)18-7-3-2-4-8-18)29(41)38(17)14-21-22(31)11-6-12-23(21)32/h2-13,16,24H,14-15,36H2,1H3/t24-/m0/s1
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150n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Gonadotropin-releasing hormone receptor expressed in RBL cells was determined by using [125I]-GnRH as radioliga...


Bioorg Med Chem Lett 14: 4967-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.022
BindingDB Entry DOI: 10.7270/Q2FF3RT4
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50152716
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-ben...)
Show SMILES Cc1c(-c2csc(Nc3ccc(cc3)[N+]([O-])=O)n2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
Show InChI InChI=1S/C29H24F2N6O4S/c1-17-26(25-16-42-28(34-25)33-19-10-12-20(13-11-19)37(40)41)27(38)36(15-24(32)18-6-3-2-4-7-18)29(39)35(17)14-21-22(30)8-5-9-23(21)31/h2-13,16,24H,14-15,32H2,1H3,(H,33,34)/t24-/m0/s1
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160n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Gonadotropin-releasing hormone receptor expressed in RBL cells was determined by using [125I]-GnRH as radioliga...


Bioorg Med Chem Lett 14: 4967-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.022
BindingDB Entry DOI: 10.7270/Q2FF3RT4
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50152712
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-ben...)
Show SMILES Cc1ccccc1Nc1nc(cs1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O
Show InChI InChI=1S/C30H27F2N5O2S/c1-18-9-6-7-14-25(18)34-29-35-26(17-40-29)27-19(2)36(15-21-22(31)12-8-13-23(21)32)30(39)37(28(27)38)16-24(33)20-10-4-3-5-11-20/h3-14,17,24H,15-16,33H2,1-2H3,(H,34,35)/t24-/m0/s1
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210n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Gonadotropin-releasing hormone receptor expressed in RBL cells was determined by using [125I]-GnRH as radioliga...


Bioorg Med Chem Lett 14: 4967-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.022
BindingDB Entry DOI: 10.7270/Q2FF3RT4
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50152720
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-ben...)
Show SMILES CCNc1nc(cs1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O
Show InChI InChI=1S/C25H25F2N5O2S/c1-3-29-24-30-21(14-35-24)22-15(2)31(12-17-18(26)10-7-11-19(17)27)25(34)32(23(22)33)13-20(28)16-8-5-4-6-9-16/h4-11,14,20H,3,12-13,28H2,1-2H3,(H,29,30)/t20-/m0/s1
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270n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Gonadotropin-releasing hormone receptor expressed in RBL cells was determined by using [125I]-GnRH as radioliga...


Bioorg Med Chem Lett 14: 4967-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.022
BindingDB Entry DOI: 10.7270/Q2FF3RT4
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50152723
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-5-[2-(4-tert-butyl-...)
Show SMILES Cc1c(-c2csc(n2)-c2ccc(cc2)C(C)(C)C)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
Show InChI InChI=1S/C33H32F2N4O2S/c1-20-29(28-19-42-30(37-28)22-13-15-23(16-14-22)33(2,3)4)31(40)39(18-27(36)21-9-6-5-7-10-21)32(41)38(20)17-24-25(34)11-8-12-26(24)35/h5-16,19,27H,17-18,36H2,1-4H3/t27-/m0/s1
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500n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Gonadotropin-releasing hormone receptor expressed in RBL cells was determined by using [125I]-GnRH as radioliga...


Bioorg Med Chem Lett 14: 4967-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.022
BindingDB Entry DOI: 10.7270/Q2FF3RT4
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50152707
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-ben...)
Show SMILES Cc1c(-c2csc(n2)N2CCOCC2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
Show InChI InChI=1S/C27H27F2N5O3S/c1-17-24(23-16-38-26(31-23)32-10-12-37-13-11-32)25(35)34(15-22(30)18-6-3-2-4-7-18)27(36)33(17)14-19-20(28)8-5-9-21(19)29/h2-9,16,22H,10-15,30H2,1H3/t22-/m0/s1
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1.50E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Gonadotropin-releasing hormone receptor expressed in RBL cells was determined by using [125I]-GnRH as radioliga...


Bioorg Med Chem Lett 14: 4967-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.022
BindingDB Entry DOI: 10.7270/Q2FF3RT4
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50152719
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-5-(2-amino-thiazol-...)
Show SMILES Cc1c(-c2csc(N)n2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
Show InChI InChI=1S/C23H21F2N5O2S/c1-13-20(19-12-33-22(27)28-19)21(31)30(11-18(26)14-6-3-2-4-7-14)23(32)29(13)10-15-16(24)8-5-9-17(15)25/h2-9,12,18H,10-11,26H2,1H3,(H2,27,28)/t18-/m0/s1
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3.00E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Gonadotropin-releasing hormone receptor expressed in RBL cells was determined by using [125I]-GnRH as radioliga...


Bioorg Med Chem Lett 14: 4967-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.022
BindingDB Entry DOI: 10.7270/Q2FF3RT4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%