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PubMed code 11229759

Compile data set for download or QSAR
Found 40 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 receptor


(Rattus norvegicus)		BDBM50097007
PNG
(4-(4-{2-[2-(3,5-Dimethyl-phenyl)-1H-indol-3-yl]-et...)
Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2ccccc2c1CCNCCCCc1ccc(O)cc1
Show InChI InChI=1S/C28H32N2O/c1-20-17-21(2)19-23(18-20)28-26(25-8-3-4-9-27(25)30-28)14-16-29-15-6-5-7-22-10-12-24(31)13-11-22/h3-4,8-13,17-19,29-31H,5-7,14-16H2,1-2H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]- - radio-labeled buserelin from rat Gonadotropin-releasing hormone receptor

Bioorg Med Chem Lett 11: 509-13 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8RF8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50096979
PNG
(4-{4-[2-(2-Naphthalen-1-yl-1H-indol-3-yl)-ethylami...)
Show SMILES Oc1ccc(CCCCNCCc2c([nH]c3ccccc23)-c2cccc3ccccc23)cc1
Show InChI InChI=1S/C30H30N2O/c33-24-17-15-22(16-18-24)8-5-6-20-31-21-19-28-26-12-3-4-14-29(26)32-30(28)27-13-7-10-23-9-1-2-11-25(23)27/h1-4,7,9-18,31-33H,5-6,8,19-21H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]- - radio-labeled buserelin from rat Gonadotropin-releasing hormone receptor

Bioorg Med Chem Lett 11: 509-13 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8RF8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50096995
PNG
(4-(4-{2-[2-(3,5-Dichloro-phenyl)-1H-indol-3-yl]-et...)
Show SMILES Oc1ccc(CCCCNCCc2c([nH]c3ccccc23)-c2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C26H26Cl2N2O/c27-20-15-19(16-21(28)17-20)26-24(23-6-1-2-7-25(23)30-26)12-14-29-13-4-3-5-18-8-10-22(31)11-9-18/h1-2,6-11,15-17,29-31H,3-5,12-14H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]- - radio-labeled buserelin from rat Gonadotropin-releasing hormone receptor

Bioorg Med Chem Lett 11: 509-13 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8RF8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50097011
PNG
(4-(2-{2-[2-(3,5-Dimethyl-phenyl)-1H-indol-3-yl]-et...)
Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2ccccc2c1CCNCCc1ccc(O)cc1
Show InChI InChI=1S/C26H28N2O/c1-18-15-19(2)17-21(16-18)26-24(23-5-3-4-6-25(23)28-26)12-14-27-13-11-20-7-9-22(29)10-8-20/h3-10,15-17,27-29H,11-14H2,1-2H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]- - radio-labeled buserelin from rat Gonadotropin-releasing hormone receptor

Bioorg Med Chem Lett 11: 509-13 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8RF8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50096988
PNG
(4-(5-{2-[2-(3,5-Dimethyl-phenyl)-1H-indol-3-yl]-et...)
Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2ccccc2c1CCNCCCCCc1ccc(O)cc1
Show InChI InChI=1S/C29H34N2O/c1-21-18-22(2)20-24(19-21)29-27(26-9-5-6-10-28(26)31-29)15-17-30-16-7-3-4-8-23-11-13-25(32)14-12-23/h5-6,9-14,18-20,30-32H,3-4,7-8,15-17H2,1-2H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]- - radio-labeled buserelin from rat Gonadotropin-releasing hormone receptor

Bioorg Med Chem Lett 11: 509-13 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8RF8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50096982
PNG
(4-{4-[2-(2-m-Tolyl-1H-indol-3-yl)-ethylamino]-buty...)
Show SMILES Cc1cccc(c1)-c1[nH]c2ccccc2c1CCNCCCCc1ccc(O)cc1
Show InChI InChI=1S/C27H30N2O/c1-20-7-6-9-22(19-20)27-25(24-10-2-3-11-26(24)29-27)16-18-28-17-5-4-8-21-12-14-23(30)15-13-21/h2-3,6-7,9-15,19,28-30H,4-5,8,16-18H2,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]- - radio-labeled buserelin from rat Gonadotropin-releasing hormone receptor

Bioorg Med Chem Lett 11: 509-13 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8RF8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50096998
PNG
(4-(3-{2-[2-(3,5-Dimethyl-phenyl)-1H-indol-3-yl]-et...)
Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2ccccc2c1CCNCCCc1ccc(O)cc1
Show InChI InChI=1S/C27H30N2O/c1-19-16-20(2)18-22(17-19)27-25(24-7-3-4-8-26(24)29-27)13-15-28-14-5-6-21-9-11-23(30)12-10-21/h3-4,7-12,16-18,28-30H,5-6,13-15H2,1-2H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]- - radio-labeled buserelin from rat Gonadotropin-releasing hormone receptor

Bioorg Med Chem Lett 11: 509-13 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8RF8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50097004
PNG
(4-{4-[2-(2-Benzo[b]thiophen-3-yl-1H-indol-3-yl)-et...)
Show SMILES Oc1ccc(CCCCNCCc2c([nH]c3ccccc23)-c2csc3ccccc23)cc1
Show InChI InChI=1S/C28H28N2OS/c31-21-14-12-20(13-15-21)7-5-6-17-29-18-16-24-22-8-1-3-10-26(22)30-28(24)25-19-32-27-11-4-2-9-23(25)27/h1-4,8-15,19,29-31H,5-7,16-18H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]- - radio-labeled buserelin from rat Gonadotropin-releasing hormone receptor

Bioorg Med Chem Lett 11: 509-13 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8RF8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50097017
PNG
(4-(4-{2-[2-(2,5-Dimethyl-phenyl)-1H-indol-3-yl]-et...)
Show SMILES Cc1ccc(C)c(c1)-c1[nH]c2ccccc2c1CCNCCCCc1ccc(O)cc1
Show InChI InChI=1S/C28H32N2O/c1-20-10-11-21(2)26(19-20)28-25(24-8-3-4-9-27(24)30-28)16-18-29-17-6-5-7-22-12-14-23(31)15-13-22/h3-4,8-15,19,29-31H,5-7,16-18H2,1-2H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]- - radio-labeled buserelin from rat Gonadotropin-releasing hormone receptor

Bioorg Med Chem Lett 11: 509-13 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8RF8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50096978
PNG
(4-{4-[2-(2-o-Tolyl-1H-indol-3-yl)-ethylamino]-buty...)
Show SMILES Cc1ccccc1-c1[nH]c2ccccc2c1CCNCCCCc1ccc(O)cc1
Show InChI InChI=1S/C27H30N2O/c1-20-8-2-3-10-23(20)27-25(24-11-4-5-12-26(24)29-27)17-19-28-18-7-6-9-21-13-15-22(30)16-14-21/h2-5,8,10-16,28-30H,6-7,9,17-19H2,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]- - radio-labeled buserelin from rat Gonadotropin-releasing hormone receptor

Bioorg Med Chem Lett 11: 509-13 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8RF8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50096993
PNG
(4-(4-{2-[2-(3-Methoxy-phenyl)-1H-indol-3-yl]-ethyl...)
Show SMILES COc1cccc(c1)-c1[nH]c2ccccc2c1CCNCCCCc1ccc(O)cc1
Show InChI InChI=1S/C27H30N2O2/c1-31-23-9-6-8-21(19-23)27-25(24-10-2-3-11-26(24)29-27)16-18-28-17-5-4-7-20-12-14-22(30)15-13-20/h2-3,6,8-15,19,28-30H,4-5,7,16-18H2,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]- - radio-labeled buserelin from rat Gonadotropin-releasing hormone receptor

Bioorg Med Chem Lett 11: 509-13 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8RF8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50097013
PNG
(4-(6-{2-[2-(3,5-Dimethyl-phenyl)-1H-indol-3-yl]-et...)
Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2ccccc2c1CCNCCCCCCc1ccc(O)cc1
Show InChI InChI=1S/C30H36N2O/c1-22-19-23(2)21-25(20-22)30-28(27-10-6-7-11-29(27)32-30)16-18-31-17-8-4-3-5-9-24-12-14-26(33)15-13-24/h6-7,10-15,19-21,31-33H,3-5,8-9,16-18H2,1-2H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]- - radio-labeled buserelin from rat Gonadotropin-releasing hormone receptor

Bioorg Med Chem Lett 11: 509-13 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8RF8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50097008
PNG
(4-(4-{2-[2-(3,5-Dimethoxy-phenyl)-1H-indol-3-yl]-e...)
Show SMILES COc1cc(OC)cc(c1)-c1[nH]c2ccccc2c1CCNCCCCc1ccc(O)cc1
Show InChI InChI=1S/C28H32N2O3/c1-32-23-17-21(18-24(19-23)33-2)28-26(25-8-3-4-9-27(25)30-28)14-16-29-15-6-5-7-20-10-12-22(31)13-11-20/h3-4,8-13,17-19,29-31H,5-7,14-16H2,1-2H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]- - radio-labeled buserelin from rat Gonadotropin-releasing hormone receptor

Bioorg Med Chem Lett 11: 509-13 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8RF8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50096989
PNG
(4-(4-{2-[2-(2,3-Dimethyl-phenyl)-1H-indol-3-yl]-et...)
Show SMILES Cc1cccc(-c2[nH]c3ccccc3c2CCNCCCCc2ccc(O)cc2)c1C
Show InChI InChI=1S/C28H32N2O/c1-20-8-7-11-24(21(20)2)28-26(25-10-3-4-12-27(25)30-28)17-19-29-18-6-5-9-22-13-15-23(31)16-14-22/h3-4,7-8,10-16,29-31H,5-6,9,17-19H2,1-2H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]- - radio-labeled buserelin from rat Gonadotropin-releasing hormone receptor

Bioorg Med Chem Lett 11: 509-13 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8RF8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50097012
PNG
(4-(4-{2-[2-(3-Ethyl-phenyl)-1H-indol-3-yl]-ethylam...)
Show SMILES CCc1cccc(c1)-c1[nH]c2ccccc2c1CCNCCCCc1ccc(O)cc1
Show InChI InChI=1S/C28H32N2O/c1-2-21-9-7-10-23(20-21)28-26(25-11-3-4-12-27(25)30-28)17-19-29-18-6-5-8-22-13-15-24(31)16-14-22/h3-4,7,9-16,20,29-31H,2,5-6,8,17-19H2,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]- - radio-labeled buserelin from rat Gonadotropin-releasing hormone receptor

Bioorg Med Chem Lett 11: 509-13 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8RF8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50096990
PNG
(4-{4-[2-(2-Phenyl-1H-indol-3-yl)-ethylamino]-butyl...)
Show SMILES Oc1ccc(CCCCNCCc2c([nH]c3ccccc23)-c2ccccc2)cc1
Show InChI InChI=1S/C26H28N2O/c29-22-15-13-20(14-16-22)8-6-7-18-27-19-17-24-23-11-4-5-12-25(23)28-26(24)21-9-2-1-3-10-21/h1-5,9-16,27-29H,6-8,17-19H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]- - radio-labeled buserelin from rat Gonadotropin-releasing hormone receptor

Bioorg Med Chem Lett 11: 509-13 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8RF8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50096983
PNG
(4-(4-{2-[2-(3,5-Bis-trifluoromethyl-phenyl)-1H-ind...)
Show SMILES Oc1ccc(CCCCNCCc2c([nH]c3ccccc23)-c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C28H26F6N2O/c29-27(30,31)20-15-19(16-21(17-20)28(32,33)34)26-24(23-6-1-2-7-25(23)36-26)12-14-35-13-4-3-5-18-8-10-22(37)11-9-18/h1-2,6-11,15-17,35-37H,3-5,12-14H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]- - radio-labeled buserelin from rat Gonadotropin-releasing hormone receptor

Bioorg Med Chem Lett 11: 509-13 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8RF8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50096980
PNG
(4-(4-{2-[2-(2,6-Dimethyl-phenyl)-1H-indol-3-yl]-et...)
Show SMILES Cc1cccc(C)c1-c1[nH]c2ccccc2c1CCNCCCCc1ccc(O)cc1 |(7.92,-4.74,;8.38,-6.21,;9.88,-6.56,;10.32,-8.03,;9.29,-9.17,;7.78,-8.82,;6.73,-9.95,;7.33,-7.36,;5.82,-7.01,;4.74,-8.08,;3.37,-7.36,;1.94,-7.89,;.75,-6.91,;1.03,-5.4,;2.46,-4.86,;3.64,-5.84,;5.16,-5.63,;5.89,-4.25,;7.44,-4.2,;8.17,-2.85,;9.71,-2.8,;10.46,-1.45,;12,-1.42,;12.76,-.08,;14.31,-.05,;15.08,-1.38,;16.62,-1.38,;17.39,-.05,;18.93,-.05,;16.62,1.3,;15.07,1.28,)|
Show InChI InChI=1S/C28H32N2O/c1-20-8-7-9-21(2)27(20)28-25(24-11-3-4-12-26(24)30-28)17-19-29-18-6-5-10-22-13-15-23(31)16-14-22/h3-4,7-9,11-16,29-31H,5-6,10,17-19H2,1-2H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]- - radio-labeled buserelin from rat Gonadotropin-releasing hormone receptor

Bioorg Med Chem Lett 11: 509-13 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8RF8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50096985
PNG
(4-{4-[2-(2-Isoquinolin-5-yl-1H-indol-3-yl)-ethylam...)
Show SMILES Oc1ccc(CCCCNCCc2c([nH]c3ccccc23)-c2cccc3cnccc23)cc1
Show InChI InChI=1S/C29H29N3O/c33-23-13-11-21(12-14-23)6-3-4-17-30-18-16-27-25-8-1-2-10-28(25)32-29(27)26-9-5-7-22-20-31-19-15-24(22)26/h1-2,5,7-15,19-20,30,32-33H,3-4,6,16-18H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]- - radio-labeled buserelin from rat Gonadotropin-releasing hormone receptor

Bioorg Med Chem Lett 11: 509-13 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8RF8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50096997
PNG
(4-(4-{2-[2-(3,4-Dimethoxy-phenyl)-1H-indol-3-yl]-e...)
Show SMILES COc1ccc(cc1OC)-c1[nH]c2ccccc2c1CCNCCCCc1ccc(O)cc1
Show InChI InChI=1S/C28H32N2O3/c1-32-26-15-12-21(19-27(26)33-2)28-24(23-8-3-4-9-25(23)30-28)16-18-29-17-6-5-7-20-10-13-22(31)14-11-20/h3-4,8-15,19,29-31H,5-7,16-18H2,1-2H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]- - radio-labeled buserelin from rat Gonadotropin-releasing hormone receptor

Bioorg Med Chem Lett 11: 509-13 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8RF8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50097006
PNG
(4-((R)-4-{2-[2-(3,4-Dimethoxy-phenyl)-1H-indol-3-y...)
Show SMILES COc1ccc(cc1OC)-c1[nH]c2ccccc2c1CCNC[C@H](O)CCc1ccc(O)cc1
Show InChI InChI=1S/C28H32N2O4/c1-33-26-14-10-20(17-27(26)34-2)28-24(23-5-3-4-6-25(23)30-28)15-16-29-18-22(32)13-9-19-7-11-21(31)12-8-19/h3-8,10-12,14,17,22,29-32H,9,13,15-16,18H2,1-2H3/t22-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]- - radio-labeled buserelin from rat Gonadotropin-releasing hormone receptor

Bioorg Med Chem Lett 11: 509-13 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8RF8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50097000
PNG
(4-(5-{2-[2-(3,4-Dimethoxy-phenyl)-1H-indol-3-yl]-e...)
Show SMILES COc1ccc(cc1OC)-c1[nH]c2ccccc2c1CCNCCCCCc1ccc(O)cc1
Show InChI InChI=1S/C29H34N2O3/c1-33-27-16-13-22(20-28(27)34-2)29-25(24-9-5-6-10-26(24)31-29)17-19-30-18-7-3-4-8-21-11-14-23(32)15-12-21/h5-6,9-16,20,30-32H,3-4,7-8,17-19H2,1-2H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]- - radio-labeled buserelin from rat Gonadotropin-releasing hormone receptor

Bioorg Med Chem Lett 11: 509-13 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8RF8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50096996
PNG
(4-{4-[2-(2-Benzo[b]thiophen-2-yl-1H-indol-3-yl)-et...)
Show SMILES Oc1ccc(CCCCNCCc2c([nH]c3ccccc23)-c2cc3ccccc3s2)cc1
Show InChI InChI=1S/C28H28N2OS/c31-22-14-12-20(13-15-22)7-5-6-17-29-18-16-24-23-9-2-3-10-25(23)30-28(24)27-19-21-8-1-4-11-26(21)32-27/h1-4,8-15,19,29-31H,5-7,16-18H2
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n/an/a 2.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]- - radio-labeled buserelin from rat Gonadotropin-releasing hormone receptor

Bioorg Med Chem Lett 11: 509-13 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8RF8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50097010
PNG
(4-{4-[2-(2-Naphthalen-2-yl-1H-indol-3-yl)-ethylami...)
Show SMILES Oc1ccc(CCCCNCCc2c([nH]c3ccccc23)-c2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C30H30N2O/c33-26-16-12-22(13-17-26)7-5-6-19-31-20-18-28-27-10-3-4-11-29(27)32-30(28)25-15-14-23-8-1-2-9-24(23)21-25/h1-4,8-17,21,31-33H,5-7,18-20H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]- - radio-labeled buserelin from rat Gonadotropin-releasing hormone receptor

Bioorg Med Chem Lett 11: 509-13 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8RF8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50096986
PNG
(4-{4-[2-(1'-Methyl-1H,1'H-[2,5']biindolyl-3-yl)-et...)
Show SMILES Cn1ccc2cc(ccc12)-c1[nH]c2ccccc2c1CCNCCCCc1ccc(O)cc1
Show InChI InChI=1S/C29H31N3O/c1-32-19-16-22-20-23(11-14-28(22)32)29-26(25-7-2-3-8-27(25)31-29)15-18-30-17-5-4-6-21-9-12-24(33)13-10-21/h2-3,7-14,16,19-20,30-31,33H,4-6,15,17-18H2,1H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]- - radio-labeled buserelin from rat Gonadotropin-releasing hormone receptor

Bioorg Med Chem Lett 11: 509-13 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8RF8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50097001
PNG
(4-((S)-3-{2-[2-(3,4-Dimethoxy-phenyl)-1H-indol-3-y...)
Show SMILES COc1ccc(cc1OC)-c1[nH]c2ccccc2c1CCNC[C@H](O)COc1ccc(O)cc1
Show InChI InChI=1S/C27H30N2O5/c1-32-25-12-7-18(15-26(25)33-2)27-23(22-5-3-4-6-24(22)29-27)13-14-28-16-20(31)17-34-21-10-8-19(30)9-11-21/h3-12,15,20,28-31H,13-14,16-17H2,1-2H3/t20-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]- - radio-labeled buserelin from rat Gonadotropin-releasing hormone receptor

Bioorg Med Chem Lett 11: 509-13 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8RF8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50096994
PNG
(4-((R)-3-{2-[2-(3,4-Dimethoxy-phenyl)-1H-indol-3-y...)
Show SMILES COc1ccc(cc1OC)-c1[nH]c2ccccc2c1CCNC[C@@H](O)COc1ccc(O)cc1
Show InChI InChI=1S/C27H30N2O5/c1-32-25-12-7-18(15-26(25)33-2)27-23(22-5-3-4-6-24(22)29-27)13-14-28-16-20(31)17-34-21-10-8-19(30)9-11-21/h3-12,15,20,28-31H,13-14,16-17H2,1-2H3/t20-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]- - radio-labeled buserelin from rat Gonadotropin-releasing hormone receptor

Bioorg Med Chem Lett 11: 509-13 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8RF8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50097014
PNG
(4-(2-{2-[2-(3,4-Dimethoxy-phenyl)-1H-indol-3-yl]-e...)
Show SMILES COc1ccc(cc1OC)-c1[nH]c2ccccc2c1CCNCCc1ccc(O)cc1
Show InChI InChI=1S/C26H28N2O3/c1-30-24-12-9-19(17-25(24)31-2)26-22(21-5-3-4-6-23(21)28-26)14-16-27-15-13-18-7-10-20(29)11-8-18/h3-12,17,27-29H,13-16H2,1-2H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]- - radio-labeled buserelin from rat Gonadotropin-releasing hormone receptor

Bioorg Med Chem Lett 11: 509-13 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8RF8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50096991
PNG
(CHEMBL149124 | {2-[2-(3,4-Dimethoxy-phenyl)-1H-ind...)
Show SMILES COc1ccc(cc1OC)-c1[nH]c2ccccc2c1CCNCCCCc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C28H31N3O4/c1-34-26-15-12-21(19-27(26)35-2)28-24(23-8-3-4-9-25(23)30-28)16-18-29-17-6-5-7-20-10-13-22(14-11-20)31(32)33/h3-4,8-15,19,29-30H,5-7,16-18H2,1-2H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]- - radio-labeled buserelin from rat Gonadotropin-releasing hormone receptor

Bioorg Med Chem Lett 11: 509-13 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8RF8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50096981
PNG
(4-(3-{2-[2-(3,4-Dimethoxy-phenyl)-1H-indol-3-yl]-e...)
Show SMILES COc1ccc(cc1OC)-c1[nH]c2ccccc2c1CCNCCCc1ccc(O)cc1
Show InChI InChI=1S/C27H30N2O3/c1-31-25-14-11-20(18-26(25)32-2)27-23(22-7-3-4-8-24(22)29-27)15-17-28-16-5-6-19-9-12-21(30)13-10-19/h3-4,7-14,18,28-30H,5-6,15-17H2,1-2H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]- - radio-labeled buserelin from rat Gonadotropin-releasing hormone receptor

Bioorg Med Chem Lett 11: 509-13 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8RF8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50096992
PNG
(4-{4-[2-(2-p-Tolyl-1H-indol-3-yl)-ethylamino]-buty...)
Show SMILES Cc1ccc(cc1)-c1[nH]c2ccccc2c1CCNCCCCc1ccc(O)cc1
Show InChI InChI=1S/C27H30N2O/c1-20-9-13-22(14-10-20)27-25(24-7-2-3-8-26(24)29-27)17-19-28-18-5-4-6-21-11-15-23(30)16-12-21/h2-3,7-16,28-30H,4-6,17-19H2,1H3
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n/an/a 9.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]- - radio-labeled buserelin from rat Gonadotropin-releasing hormone receptor

Bioorg Med Chem Lett 11: 509-13 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8RF8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50097003
PNG
(4-({2-[2-(3,5-Dimethyl-phenyl)-1H-indol-3-yl]-ethy...)
Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2ccccc2c1CCNCc1ccc(O)cc1
Show InChI InChI=1S/C25H26N2O/c1-17-13-18(2)15-20(14-17)25-23(22-5-3-4-6-24(22)27-25)11-12-26-16-19-7-9-21(28)10-8-19/h3-10,13-15,26-28H,11-12,16H2,1-2H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]- - radio-labeled buserelin from rat Gonadotropin-releasing hormone receptor

Bioorg Med Chem Lett 11: 509-13 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8RF8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50097015
PNG
(4-(4-{2-[2-(3,4-Dimethoxy-phenyl)-1H-indol-3-yl]-e...)
Show SMILES COc1ccc(cc1OC)-c1[nH]c2ccccc2c1CCNCCCCc1ccc(N)cc1
Show InChI InChI=1S/C28H33N3O2/c1-32-26-15-12-21(19-27(26)33-2)28-24(23-8-3-4-9-25(23)31-28)16-18-30-17-6-5-7-20-10-13-22(29)14-11-20/h3-4,8-15,19,30-31H,5-7,16-18,29H2,1-2H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]- - radio-labeled buserelin from rat Gonadotropin-releasing hormone receptor

Bioorg Med Chem Lett 11: 509-13 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8RF8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50097002
PNG
(4-(6-{2-[2-(3,4-Dimethoxy-phenyl)-1H-indol-3-yl]-e...)
Show SMILES COc1ccc(cc1OC)-c1[nH]c2ccccc2c1CCNCCCCCCc1ccc(O)cc1
Show InChI InChI=1S/C30H36N2O3/c1-34-28-17-14-23(21-29(28)35-2)30-26(25-10-6-7-11-27(25)32-30)18-20-31-19-8-4-3-5-9-22-12-15-24(33)16-13-22/h6-7,10-17,21,31-33H,3-5,8-9,18-20H2,1-2H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]- - radio-labeled buserelin from rat Gonadotropin-releasing hormone receptor

Bioorg Med Chem Lett 11: 509-13 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8RF8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50096999
PNG
(4-(4-{2-[2-(4-Fluoro-phenyl)-1H-indol-3-yl]-ethyla...)
Show SMILES Oc1ccc(CCCCNCCc2c([nH]c3ccccc23)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H27FN2O/c27-21-12-10-20(11-13-21)26-24(23-6-1-2-7-25(23)29-26)16-18-28-17-4-3-5-19-8-14-22(30)15-9-19/h1-2,6-15,28-30H,3-5,16-18H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]- - radio-labeled buserelin from rat Gonadotropin-releasing hormone receptor

Bioorg Med Chem Lett 11: 509-13 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8RF8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50097016
PNG
(4-({2-[2-(3,4-Dimethoxy-phenyl)-1H-indol-3-yl]-eth...)
Show SMILES COc1ccc(cc1OC)-c1[nH]c2ccccc2c1CCNCc1ccc(O)cc1
Show InChI InChI=1S/C25H26N2O3/c1-29-23-12-9-18(15-24(23)30-2)25-21(20-5-3-4-6-22(20)27-25)13-14-26-16-17-7-10-19(28)11-8-17/h3-12,15,26-28H,13-14,16H2,1-2H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]- - radio-labeled buserelin from rat Gonadotropin-releasing hormone receptor

Bioorg Med Chem Lett 11: 509-13 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8RF8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50097005
PNG
(CHEMBL356970 | [4-(4-Benzyloxy-phenyl)-butyl]-{2-[...)
Show SMILES COc1ccc(cc1OC)-c1[nH]c2ccccc2c1CCNCCCCc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C35H38N2O3/c1-38-33-20-17-28(24-34(33)39-2)35-31(30-13-6-7-14-32(30)37-35)21-23-36-22-9-8-10-26-15-18-29(19-16-26)40-25-27-11-4-3-5-12-27/h3-7,11-20,24,36-37H,8-10,21-23,25H2,1-2H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]- - radio-labeled buserelin from rat Gonadotropin-releasing hormone receptor

Bioorg Med Chem Lett 11: 509-13 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8RF8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50096987
PNG
(CHEMBL343224 | N-{2-[2-(3,4-Dimethoxy-phenyl)-1H-i...)
Show SMILES COc1ccc(cc1OC)-c1[nH]c2ccccc2c1CCNC(=O)CCCc1ccc(O)cc1
Show InChI InChI=1S/C28H30N2O4/c1-33-25-15-12-20(18-26(25)34-2)28-23(22-7-3-4-8-24(22)30-28)16-17-29-27(32)9-5-6-19-10-13-21(31)14-11-19/h3-4,7-8,10-15,18,30-31H,5-6,9,16-17H2,1-2H3,(H,29,32)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]- - radio-labeled buserelin from rat Gonadotropin-releasing hormone receptor

Bioorg Med Chem Lett 11: 509-13 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8RF8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50096984
PNG
(CHEMBL357166 | N-{2-[2-(3,4-Dimethoxy-phenyl)-1H-i...)
Show SMILES COc1ccc(cc1OC)-c1[nH]c2ccccc2c1CCNC(=O)CCCc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C28H29N3O5/c1-35-25-15-12-20(18-26(25)36-2)28-23(22-7-3-4-8-24(22)30-28)16-17-29-27(32)9-5-6-19-10-13-21(14-11-19)31(33)34/h3-4,7-8,10-15,18,30H,5-6,9,16-17H2,1-2H3,(H,29,32)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]- - radio-labeled buserelin from rat Gonadotropin-releasing hormone receptor

Bioorg Med Chem Lett 11: 509-13 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8RF8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50097009
PNG
(4-(4-Amino-phenyl)-N-{2-[2-(3,4-dimethoxy-phenyl)-...)
Show SMILES COc1ccc(cc1OC)-c1[nH]c2ccccc2c1CCNC(=O)CCCc1ccc(N)cc1
Show InChI InChI=1S/C28H31N3O3/c1-33-25-15-12-20(18-26(25)34-2)28-23(22-7-3-4-8-24(22)31-28)16-17-30-27(32)9-5-6-19-10-13-21(29)14-11-19/h3-4,7-8,10-15,18,31H,5-6,9,16-17,29H2,1-2H3,(H,30,32)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]- - radio-labeled buserelin from rat Gonadotropin-releasing hormone receptor

Bioorg Med Chem Lett 11: 509-13 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8RF8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%