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Compile Data Set for Download or QSAR

Found 137 hits with Last Name = 'gibbons' and Initial = 'ph'   
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)
BDBM50101200
PNG
(2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-3-yl-butyl...)
Show SMILES CCN(C1CCCCC1)C(=O)c1ccc2[nH]c(c(CCNCCCCc3cccnc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C36H46N4O/c1-4-40(31-13-6-5-7-14-31)36(41)29-15-16-34-33(24-29)32(35(39-34)30-22-26(2)21-27(3)23-30)17-20-37-18-9-8-11-28-12-10-19-38-25-28/h10,12,15-16,19,21-25,31,37,39H,4-9,11,13-14,17-18,20H2,1-3H3
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n/an/a 0.200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-buserelin binding to rat Gonadotropin-releasing hormone receptor.


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101244
PNG
(2-{2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-4-yl-bu...)
Show SMILES CN(C)C(=O)C(C)(C)c1ccc2[nH]c(c(CCNCCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C33H42N4O/c1-23-19-24(2)21-26(20-23)31-28(14-18-34-15-8-7-9-25-12-16-35-17-13-25)29-22-27(10-11-30(29)36-31)33(3,4)32(38)37(5)6/h10-13,16-17,19-22,34,36H,7-9,14-15,18H2,1-6H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GnRH-stimulated luteinizing hormone (LH) release in rat pituitary cells


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101242
PNG
(CHEMBL296483 | {2-(3,5-Dimethyl-phenyl)-3-[2-(4-py...)
Show SMILES CC1CCC(C)N1C(=O)c1ccc2[nH]c(c(CCNCCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C34H42N4O/c1-23-19-24(2)21-29(20-23)33-30(14-18-35-15-6-5-7-27-12-16-36-17-13-27)31-22-28(10-11-32(31)37-33)34(39)38-25(3)8-9-26(38)4/h10-13,16-17,19-22,25-26,35,37H,5-9,14-15,18H2,1-4H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GnRH-stimulated luteinizing hormone (LH) release in rat pituitary cells


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101241
PNG
(CHEMBL50500 | {2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyr...)
Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2ccc(cc2c1CCNCCCCc1ccncc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C32H38N4O2/c1-23-19-24(2)21-27(20-23)31-28(10-14-33-11-4-3-5-25-8-12-34-13-9-25)29-22-26(6-7-30(29)35-31)32(37)36-15-17-38-18-16-36/h6-9,12-13,19-22,33,35H,3-5,10-11,14-18H2,1-2H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-buserelin binding to rat pituitary Gonadotropin-releasing hormone receptor, in the presence of 0.1% bovine serum albumin.


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101243
PNG
(2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-4-yl-butyl...)
Show SMILES CC(C)N(C(C)C)C(=O)c1ccc2[nH]c(c(CCNCCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C34H44N4O/c1-23(2)38(24(3)4)34(39)28-10-11-32-31(22-28)30(33(37-32)29-20-25(5)19-26(6)21-29)14-18-35-15-8-7-9-27-12-16-36-17-13-27/h10-13,16-17,19-24,35,37H,7-9,14-15,18H2,1-6H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GnRH-stimulated phosphatidyinositol (PI) hydrolysis in cloned chinese hamster ovary (CHO) cells expressing human GnRH receptor.


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101238
PNG
(CHEMBL417726 | {2-(3,5-Dimethyl-phenyl)-3-[2-(4-py...)
Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2ccc(cc2c1CCNCCCCc1cccnc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C32H38N4O2/c1-23-18-24(2)20-27(19-23)31-28(10-13-33-11-4-3-6-25-7-5-12-34-22-25)29-21-26(8-9-30(29)35-31)32(37)36-14-16-38-17-15-36/h5,7-9,12,18-22,33,35H,3-4,6,10-11,13-17H2,1-2H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-buserelin binding to rat Gonadotropin-releasing hormone receptor.


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101234
PNG
(2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-3-yl-butyl...)
Show SMILES CCCCN(CCCC)C(=O)c1ccc2[nH]c(c(CCNCCCCc3cccnc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C36H48N4O/c1-5-7-20-40(21-8-6-2)36(41)30-14-15-34-33(25-30)32(35(39-34)31-23-27(3)22-28(4)24-31)16-19-37-17-10-9-12-29-13-11-18-38-26-29/h11,13-15,18,22-26,37,39H,5-10,12,16-17,19-21H2,1-4H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-buserelin binding to rat Gonadotropin-releasing hormone receptor.


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101218
PNG
(2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-4-yl-butyl...)
Show SMILES CCN(C1CCCCC1)C(=O)c1ccc2[nH]c(c(CCNCCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C36H46N4O/c1-4-40(31-11-6-5-7-12-31)36(41)29-13-14-34-33(25-29)32(35(39-34)30-23-26(2)22-27(3)24-30)17-21-37-18-9-8-10-28-15-19-38-20-16-28/h13-16,19-20,22-25,31,37,39H,4-12,17-18,21H2,1-3H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-buserelin binding to rat Gonadotropin-releasing hormone receptor.


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101227
PNG
(2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-4-yl-butyl...)
Show SMILES CCCCN(CCCC)C(=O)c1ccc2[nH]c(c(CCNCCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C36H48N4O/c1-5-7-21-40(22-8-6-2)36(41)30-12-13-34-33(26-30)32(35(39-34)31-24-27(3)23-28(4)25-31)16-20-37-17-10-9-11-29-14-18-38-19-15-29/h12-15,18-19,23-26,37,39H,5-11,16-17,20-22H2,1-4H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-buserelin binding to rat Gonadotropin-releasing hormone receptor.


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101223
PNG
(2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-4-yl-butyl...)
Show SMILES CCN(CC)C(=O)c1ccc2[nH]c(c(CCNCCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C32H40N4O/c1-5-36(6-2)32(37)26-10-11-30-29(22-26)28(31(35-30)27-20-23(3)19-24(4)21-27)14-18-33-15-8-7-9-25-12-16-34-17-13-25/h10-13,16-17,19-22,33,35H,5-9,14-15,18H2,1-4H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GnRH-stimulated luteinizing hormone (LH) release in rat pituitary cells


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101210
PNG
(CHEMBL49590 | {2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyr...)
Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2ccc(cc2c1CCNCCCCc1ccncc1)C(=O)N1CCCC1
Show InChI InChI=1S/C32H38N4O/c1-23-19-24(2)21-27(20-23)31-28(12-16-33-13-4-3-7-25-10-14-34-15-11-25)29-22-26(8-9-30(29)35-31)32(37)36-17-5-6-18-36/h8-11,14-15,19-22,33,35H,3-7,12-13,16-18H2,1-2H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-buserelin binding to rat Gonadotropin-releasing hormone receptor.


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101237
PNG
(2-{2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-3-yl-bu...)
Show SMILES CN(C)C(=O)C(C)(C)c1ccc2[nH]c(c(CCNCCCCc3cccnc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C33H42N4O/c1-23-18-24(2)20-26(19-23)31-28(14-17-34-15-8-7-10-25-11-9-16-35-22-25)29-21-27(12-13-30(29)36-31)33(3,4)32(38)37(5)6/h9,11-13,16,18-22,34,36H,7-8,10,14-15,17H2,1-6H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-buserelin binding to rat Gonadotropin-releasing hormone receptor.


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101204
PNG
(2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-4-yl-butyl...)
Show SMILES CC(C)CN(CC(C)C)C(=O)c1ccc2[nH]c(c(CCNCCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C36H48N4O/c1-25(2)23-40(24-26(3)4)36(41)30-10-11-34-33(22-30)32(35(39-34)31-20-27(5)19-28(6)21-31)14-18-37-15-8-7-9-29-12-16-38-17-13-29/h10-13,16-17,19-22,25-26,37,39H,7-9,14-15,18,23-24H2,1-6H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-buserelin binding to rat Gonadotropin-releasing hormone receptor.


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101232
PNG
(CHEMBL50552 | {2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyr...)
Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2ccc(cc2c1CCNCCCCc1cccnc1)C(=O)N1CCCC1
Show InChI InChI=1S/C32H38N4O/c1-23-18-24(2)20-27(19-23)31-28(12-15-33-13-4-3-8-25-9-7-14-34-22-25)29-21-26(10-11-30(29)35-31)32(37)36-16-5-6-17-36/h7,9-11,14,18-22,33,35H,3-6,8,12-13,15-17H2,1-2H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-buserelin binding to human Gonadotropin-releasing hormone receptor.


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101212
PNG
(2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-4-yl-butyl...)
Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2ccc(cc2c1CCNCCCCc1ccncc1)C(=O)N(CC(F)(F)F)CC(F)(F)F
Show InChI InChI=1S/C32H34F6N4O/c1-21-15-22(2)17-25(16-21)29-26(10-14-39-11-4-3-5-23-8-12-40-13-9-23)27-18-24(6-7-28(27)41-29)30(43)42(19-31(33,34)35)20-32(36,37)38/h6-9,12-13,15-18,39,41H,3-5,10-11,14,19-20H2,1-2H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GnRH-stimulated phosphatidyinositol (PI) hydrolysis in cloned chinese hamster ovary (CHO) cells expressing human GnRH receptor.


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101202
PNG
(2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-3-yl-butyl...)
Show SMILES CCN(CC)C(=O)c1ccc2[nH]c(c(CCNCCCCc3cccnc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C32H40N4O/c1-5-36(6-2)32(37)26-12-13-30-29(21-26)28(31(35-30)27-19-23(3)18-24(4)20-27)14-17-33-15-8-7-10-25-11-9-16-34-22-25/h9,11-13,16,18-22,33,35H,5-8,10,14-15,17H2,1-4H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-buserelin binding to rat pituitary Gonadotropin-releasing hormone receptor, in the presence of 0.1% bovine serum albumin.


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101233
PNG
(2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-3-yl-butyl...)
Show SMILES CCN(CCO)C(=O)c1ccc2[nH]c(c(CCNCCCCc3cccnc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C32H40N4O2/c1-4-36(16-17-37)32(38)26-10-11-30-29(21-26)28(31(35-30)27-19-23(2)18-24(3)20-27)12-15-33-13-6-5-8-25-9-7-14-34-22-25/h7,9-11,14,18-22,33,35,37H,4-6,8,12-13,15-17H2,1-3H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GnRH-stimulated luteinizing hormone (LH) release in rat pituitary cells


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101225
PNG
(2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-3-yl-butyl...)
Show SMILES CN(C)C(=O)c1ccc2[nH]c(c(CCNCCCCc3cccnc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C30H36N4O/c1-21-16-22(2)18-25(17-21)29-26(12-15-31-13-6-5-8-23-9-7-14-32-20-23)27-19-24(30(35)34(3)4)10-11-28(27)33-29/h7,9-11,14,16-20,31,33H,5-6,8,12-13,15H2,1-4H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GnRH-stimulated luteinizing hormone (LH) release in rat pituitary cells


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101209
PNG
(2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-3-yl-butyl...)
Show SMILES CC(C)CN(CC(C)C)C(=O)c1ccc2[nH]c(c(CCNCCCCc3cccnc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C36H48N4O/c1-25(2)23-40(24-26(3)4)36(41)30-12-13-34-33(21-30)32(35(39-34)31-19-27(5)18-28(6)20-31)14-17-37-15-8-7-10-29-11-9-16-38-22-29/h9,11-13,16,18-22,25-26,37,39H,7-8,10,14-15,17,23-24H2,1-6H3
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n/an/a 0.700n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-buserelin binding to rat Gonadotropin-releasing hormone receptor.


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101199
PNG
(2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-4-yl-butyl...)
Show SMILES CN(C)C(=O)c1ccc2[nH]c(c(CCNCCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C30H36N4O/c1-21-17-22(2)19-25(18-21)29-26(12-16-31-13-6-5-7-23-10-14-32-15-11-23)27-20-24(30(35)34(3)4)8-9-28(27)33-29/h8-11,14-15,17-20,31,33H,5-7,12-13,16H2,1-4H3
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n/an/a 0.800n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GnRH-stimulated phosphatidyinositol (PI) hydrolysis in cloned chinese hamster ovary (CHO) cells expressing human GnRH receptor.


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101230
PNG
(1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimeth...)
Show SMILES CCC(C)(C(=O)N1C2CCC1CC2)c1ccc2[nH]c(c(CCNCCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1 |THB:4:6:8.9:11.12|
Show InChI InChI=1S/C38H48N4O/c1-5-38(4,37(43)42-31-10-11-32(42)13-12-31)30-9-14-35-34(25-30)33(36(41-35)29-23-26(2)22-27(3)24-29)17-21-39-18-7-6-8-28-15-19-40-20-16-28/h9,14-16,19-20,22-25,31-32,39,41H,5-8,10-13,17-18,21H2,1-4H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-buserelin binding to rat Gonadotropin-releasing hormone receptor.


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101198
PNG
(1-(3,3-Dimethyl-azetidin-1-yl)-2-{2-(3,5-dimethyl-...)
Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2ccc(cc2c1CCNCCCCc1cccnc1)C(C)(C)C(=O)N1CC(C)(C)C1
Show InChI InChI=1S/C36H46N4O/c1-25-18-26(2)20-28(19-25)33-30(14-17-37-15-8-7-10-27-11-9-16-38-22-27)31-21-29(12-13-32(31)39-33)36(5,6)34(41)40-23-35(3,4)24-40/h9,11-13,16,18-22,37,39H,7-8,10,14-15,17,23-24H2,1-6H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GnRH-stimulated luteinizing hormone (LH) release in rat pituitary cells


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101211
PNG
((7-Aza-bicyclo[2.2.1]hept-7-yl)-(1-{2-(3,5-dimethy...)
Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2ccc(cc2c1CCNCCCCc1ccncc1)C1(CCC1)C(=O)N1C2CCC1CC2 |THB:34:36:38.39:41.42|
Show InChI InChI=1S/C38H46N4O/c1-26-22-27(2)24-29(23-26)36-33(15-21-39-18-4-3-6-28-13-19-40-20-14-28)34-25-30(7-12-35(34)41-36)38(16-5-17-38)37(43)42-31-8-9-32(42)11-10-31/h7,12-14,19-20,22-25,31-32,39,41H,3-6,8-11,15-18,21H2,1-2H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-buserelin binding to rat Gonadotropin-releasing hormone receptor.


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101240
PNG
(1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimeth...)
Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2ccc(cc2c1CCNCCCCc1cccnc1)C(C)(C)C(=O)N1C2CCC1CC2 |THB:33:35:37.38:40.41|
Show InChI InChI=1S/C37H46N4O/c1-25-20-26(2)22-28(21-25)35-32(16-19-38-17-6-5-8-27-9-7-18-39-24-27)33-23-29(10-15-34(33)40-35)37(3,4)36(42)41-30-11-12-31(41)14-13-30/h7,9-10,15,18,20-24,30-31,38,40H,5-6,8,11-14,16-17,19H2,1-4H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-buserelin binding to rat Gonadotropin-releasing hormone receptor.


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101216
PNG
(1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimeth...)
Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2ccc(cc2c1CCNCCCCc1ccncc1)C(C)(C)C(=O)N1C2CCC1CC2 |THB:33:35:37.38:40.41|
Show InChI InChI=1S/C37H46N4O/c1-25-21-26(2)23-28(22-25)35-32(16-20-38-17-6-5-7-27-14-18-39-19-15-27)33-24-29(8-13-34(33)40-35)37(3,4)36(42)41-30-9-10-31(41)12-11-30/h8,13-15,18-19,21-24,30-31,38,40H,5-7,9-12,16-17,20H2,1-4H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-buserelin binding to rat Gonadotropin-releasing hormone receptor.


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101205
PNG
(1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-(2-(3,5-dimeth...)
Show SMILES CN(CCCCc1ccncc1)CCc1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |THB:26:28:30.31:33.34|
Show InChI InChI=1S/C38H48N4O/c1-26-22-27(2)24-29(23-26)36-33(17-21-41(5)20-7-6-8-28-15-18-39-19-16-28)34-25-30(9-14-35(34)40-36)38(3,4)37(43)42-31-10-11-32(42)13-12-31/h9,14-16,18-19,22-25,31-32,40H,6-8,10-13,17,20-21H2,1-5H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-buserelin binding to rat Gonadotropin-releasing hormone receptor.


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101245
PNG
(1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimeth...)
Show SMILES CCC(CC)(C(=O)N1C2CCC1CC2)c1ccc2[nH]c(c(CCNCCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1 |THB:5:7:9.10:12.13|
Show InChI InChI=1S/C39H50N4O/c1-5-39(6-2,38(44)43-32-11-12-33(43)14-13-32)31-10-15-36-35(26-31)34(37(42-36)30-24-27(3)23-28(4)25-30)18-22-40-19-8-7-9-29-16-20-41-21-17-29/h10,15-17,20-21,23-26,32-33,40,42H,5-9,11-14,18-19,22H2,1-4H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GnRH-stimulated phosphatidyinositol (PI) hydrolysis in cloned chinese hamster ovary (CHO) cells expressing human GnRH receptor.


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101222
PNG
(2-{2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-3-yl-bu...)
Show SMILES CC(C)CN(CC(C)C)C(=O)C(C)(C)c1ccc2[nH]c(c(CCNCCCCc3cccnc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C39H54N4O/c1-27(2)25-43(26-28(3)4)38(44)39(7,8)33-14-15-36-35(23-33)34(37(42-36)32-21-29(5)20-30(6)22-32)16-19-40-17-10-9-12-31-13-11-18-41-24-31/h11,13-15,18,20-24,27-28,40,42H,9-10,12,16-17,19,25-26H2,1-8H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GnRH-stimulated phosphatidyinositol (PI) hydrolysis in cloned chinese hamster ovary (CHO) cells expressing human GnRH receptor.


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101224
PNG
(2-{2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-4-yl-bu...)
Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2ccc(cc2c1CCNCCCCc1ccncc1)C(C)(C)C(=O)N1CCCCC1
Show InChI InChI=1S/C36H46N4O/c1-26-22-27(2)24-29(23-26)34-31(15-19-37-16-7-6-10-28-13-17-38-18-14-28)32-25-30(11-12-33(32)39-34)36(3,4)35(41)40-20-8-5-9-21-40/h11-14,17-18,22-25,37,39H,5-10,15-16,19-21H2,1-4H3
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n/an/a 1.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-buserelin binding to rat Gonadotropin-releasing hormone receptor.


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50101219
PNG
(2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-4-yl-butyl...)
Show SMILES CCN(C1CCCCCCC1)C(=O)c1ccc2[nH]c(c(CCNCCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C38H50N4O/c1-4-42(33-13-8-6-5-7-9-14-33)38(43)31-15-16-36-35(27-31)34(37(41-36)32-25-28(2)24-29(3)26-32)19-23-39-20-11-10-12-30-17-21-40-22-18-30/h15-18,21-22,24-27,33,39,41H,4-14,19-20,23H2,1-3H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-buserelin binding to human Gonadotropin-releasing hormone receptor.


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101213
PNG
(1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-(2-(3,5-dimeth...)
Show SMILES CCN(CCCCc1ccncc1)CCc1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |THB:27:29:31.32:34.35|
Show InChI InChI=1S/C39H50N4O/c1-6-42(21-8-7-9-29-16-19-40-20-17-29)22-18-34-35-26-31(39(4,5)38(44)43-32-11-12-33(43)14-13-32)10-15-36(35)41-37(34)30-24-27(2)23-28(3)25-30/h10,15-17,19-20,23-26,32-33,41H,6-9,11-14,18,21-22H2,1-5H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GnRH-stimulated phosphatidyinositol (PI) hydrolysis in cloned chinese hamster ovary (CHO) cells expressing human GnRH receptor.


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101221
PNG
(CHEMBL49374 | N-Cyclohexyl-2-{2-(3,5-dimethyl-phen...)
Show SMILES CCN(C1CCCCC1)C(=O)C(C)(C)c1ccc2[nH]c(c(CCNCCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C39H52N4O/c1-6-43(33-13-8-7-9-14-33)38(44)39(4,5)32-15-16-36-35(27-32)34(37(42-36)31-25-28(2)24-29(3)26-31)19-23-40-20-11-10-12-30-17-21-41-22-18-30/h15-18,21-22,24-27,33,40,42H,6-14,19-20,23H2,1-5H3
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n/an/a 2.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-buserelin binding to rat Gonadotropin-releasing hormone receptor.


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50101200
PNG
(2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-3-yl-butyl...)
Show SMILES CCN(C1CCCCC1)C(=O)c1ccc2[nH]c(c(CCNCCCCc3cccnc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C36H46N4O/c1-4-40(31-13-6-5-7-14-31)36(41)29-15-16-34-33(24-29)32(35(39-34)30-22-26(2)21-27(3)23-30)17-20-37-18-9-8-11-28-12-10-19-38-25-28/h10,12,15-16,19,21-25,31,37,39H,4-9,11,13-14,17-18,20H2,1-3H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-buserelin binding to human Gonadotropin-releasing hormone receptor.


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101208
PNG
(2-{2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-4-yl-bu...)
Show SMILES CC1CCC(C)N1C(=O)C(C)(C)c1ccc2[nH]c(c(CCNCCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C37H48N4O/c1-25-21-26(2)23-30(22-25)35-32(16-20-38-17-8-7-9-29-14-18-39-19-15-29)33-24-31(12-13-34(33)40-35)37(5,6)36(42)41-27(3)10-11-28(41)4/h12-15,18-19,21-24,27-28,38,40H,7-11,16-17,20H2,1-6H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-buserelin binding to rat Gonadotropin-releasing hormone receptor.


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101215
PNG
(2-{2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-4-yl-bu...)
Show SMILES CC(C)CN(CC(C)C)C(=O)C(C)(C)c1ccc2[nH]c(c(CCNCCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C39H54N4O/c1-27(2)25-43(26-28(3)4)38(44)39(7,8)33-12-13-36-35(24-33)34(37(42-36)32-22-29(5)21-30(6)23-32)16-20-40-17-10-9-11-31-14-18-41-19-15-31/h12-15,18-19,21-24,27-28,40,42H,9-11,16-17,20,25-26H2,1-8H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-buserelin binding to rat Gonadotropin-releasing hormone receptor.


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50101218
PNG
(2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-4-yl-butyl...)
Show SMILES CCN(C1CCCCC1)C(=O)c1ccc2[nH]c(c(CCNCCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C36H46N4O/c1-4-40(31-11-6-5-7-12-31)36(41)29-13-14-34-33(25-29)32(35(39-34)30-23-26(2)22-27(3)24-30)17-21-37-18-9-8-10-28-15-19-38-20-16-28/h13-16,19-20,22-25,31,37,39H,4-12,17-18,21H2,1-3H3
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n/an/a 2.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-buserelin binding to human Gonadotropin-releasing hormone receptor.


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101217
PNG
(1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-(2-(3,5-dimeth...)
Show SMILES CC(C)N(CCCCc1ccncc1)CCc1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |THB:28:30:32.33:35.36|
Show InChI InChI=1S/C40H52N4O/c1-27(2)43(21-8-7-9-30-16-19-41-20-17-30)22-18-35-36-26-32(40(5,6)39(45)44-33-11-12-34(44)14-13-33)10-15-37(36)42-38(35)31-24-28(3)23-29(4)25-31/h10,15-17,19-20,23-27,33-34,42H,7-9,11-14,18,21-22H2,1-6H3
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n/an/a 3.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-buserelin binding to rat Gonadotropin-releasing hormone receptor.


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101231
PNG
(2-{2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-4-yl-bu...)
Show SMILES CCN(CC)C(=O)C(C)(C)c1ccc2[nH]c(c(CCNCCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C35H46N4O/c1-7-39(8-2)34(40)35(5,6)29-12-13-32-31(24-29)30(33(38-32)28-22-25(3)21-26(4)23-28)16-20-36-17-10-9-11-27-14-18-37-19-15-27/h12-15,18-19,21-24,36,38H,7-11,16-17,20H2,1-6H3
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n/an/a 3.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-buserelin binding to rat Gonadotropin-releasing hormone receptor.


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101206
PNG
(2-{2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-3-yl-bu...)
Show SMILES CCN(CC)C(=O)C(C)(C)c1ccc2[nH]c(c(CCNCCCCc3cccnc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C35H46N4O/c1-7-39(8-2)34(40)35(5,6)29-14-15-32-31(23-29)30(33(38-32)28-21-25(3)20-26(4)22-28)16-19-36-17-10-9-12-27-13-11-18-37-24-27/h11,13-15,18,20-24,36,38H,7-10,12,16-17,19H2,1-6H3
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n/an/a 3.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-buserelin binding to rat Gonadotropin-releasing hormone receptor.


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50101201
PNG
(CHEMBL50380 | {2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyr...)
Show SMILES CC1CCC(C)N1C(=O)c1ccc2[nH]c(c(CCNCCCCc3cccnc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C34H42N4O/c1-23-18-24(2)20-29(19-23)33-30(14-17-35-15-6-5-8-27-9-7-16-36-22-27)31-21-28(12-13-32(31)37-33)34(39)38-25(3)10-11-26(38)4/h7,9,12-13,16,18-22,25-26,35,37H,5-6,8,10-11,14-15,17H2,1-4H3
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n/an/a 3.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-buserelin binding to rat Gonadotropin-releasing hormone receptor.


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101239
PNG
(2-{2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-4-yl-bu...)
Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2ccc(cc2c1CCNCCCCc1ccncc1)C(C)(C)C(=O)N1CCCC1
Show InChI InChI=1S/C35H44N4O/c1-25-21-26(2)23-28(22-25)33-30(14-18-36-15-6-5-9-27-12-16-37-17-13-27)31-24-29(10-11-32(31)38-33)35(3,4)34(40)39-19-7-8-20-39/h10-13,16-17,21-24,36,38H,5-9,14-15,18-20H2,1-4H3
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n/an/a 4.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-buserelin binding to rat pituitary Gonadotropin-releasing hormone receptor, in the presence of 0.1% bovine serum albumin.


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101236
PNG
(2-{2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-3-yl-bu...)
Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2ccc(cc2c1CCNCCCCc1cccnc1)C(C)(C)C(=O)N1CCCC1
Show InChI InChI=1S/C35H44N4O/c1-25-20-26(2)22-28(21-25)33-30(14-17-36-15-6-5-10-27-11-9-16-37-24-27)31-23-29(12-13-32(31)38-33)35(3,4)34(40)39-18-7-8-19-39/h9,11-13,16,20-24,36,38H,5-8,10,14-15,17-19H2,1-4H3
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n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-buserelin binding to rat Gonadotropin-releasing hormone receptor.


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50101209
PNG
(2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-3-yl-butyl...)
Show SMILES CC(C)CN(CC(C)C)C(=O)c1ccc2[nH]c(c(CCNCCCCc3cccnc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C36H48N4O/c1-25(2)23-40(24-26(3)4)36(41)30-12-13-34-33(21-30)32(35(39-34)31-19-27(5)18-28(6)20-31)14-17-37-15-8-7-10-29-11-9-16-38-22-29/h9,11-13,16,18-22,25-26,37,39H,7-8,10,14-15,17,23-24H2,1-6H3
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n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-buserelin binding to human Gonadotropin-releasing hormone receptor.


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50101204
PNG
(2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-4-yl-butyl...)
Show SMILES CC(C)CN(CC(C)C)C(=O)c1ccc2[nH]c(c(CCNCCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C36H48N4O/c1-25(2)23-40(24-26(3)4)36(41)30-10-11-34-33(22-30)32(35(39-34)31-20-27(5)19-28(6)21-31)14-18-37-15-8-7-9-29-12-16-38-17-13-29/h10-13,16-17,19-22,25-26,37,39H,7-9,14-15,18,23-24H2,1-6H3
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n/an/a 7.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-buserelin binding to human Gonadotropin-releasing hormone receptor.


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101214
PNG
(1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-(2-(3,5-dimeth...)
Show SMILES CC(C)CN(CCCCc1ccncc1)CCc1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |THB:29:31:33.34:36.37|
Show InChI InChI=1S/C41H54N4O/c1-28(2)27-44(21-8-7-9-31-16-19-42-20-17-31)22-18-36-37-26-33(41(5,6)40(46)45-34-11-12-35(45)14-13-34)10-15-38(37)43-39(36)32-24-29(3)23-30(4)25-32/h10,15-17,19-20,23-26,28,34-35,43H,7-9,11-14,18,21-22,27H2,1-6H3
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n/an/a 8.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-buserelin binding to rat Gonadotropin-releasing hormone receptor.


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50101215
PNG
(2-{2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-4-yl-bu...)
Show SMILES CC(C)CN(CC(C)C)C(=O)C(C)(C)c1ccc2[nH]c(c(CCNCCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C39H54N4O/c1-27(2)25-43(26-28(3)4)38(44)39(7,8)33-12-13-36-35(24-33)34(37(42-36)32-22-29(5)21-30(6)23-32)16-20-40-17-10-9-11-31-14-18-41-19-15-31/h12-15,18-19,21-24,27-28,40,42H,9-11,16-17,20,25-26H2,1-8H3
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n/an/a 8.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GnRH-stimulated phosphatidyinositol (PI) hydrolysis in cloned chinese hamster ovary (CHO) cells expressing human GnRH receptor.


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101207
PNG
(2-{2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-4-yl-bu...)
Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2ccc(cc2c1CCNCCCCc1ccncc1)C(C)(C)C(=O)N1CCOCC1
Show InChI InChI=1S/C35H44N4O2/c1-25-21-26(2)23-28(22-25)33-30(12-16-36-13-6-5-7-27-10-14-37-15-11-27)31-24-29(8-9-32(31)38-33)35(3,4)34(40)39-17-19-41-20-18-39/h8-11,14-15,21-24,36,38H,5-7,12-13,16-20H2,1-4H3
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-buserelin binding to rat Gonadotropin-releasing hormone receptor.


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50101203
PNG
(2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-3-yl-butyl...)
Show SMILES CCN(C(C)C)C(=O)c1ccc2[nH]c(c(CCNCCCCc3cccnc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C33H42N4O/c1-6-37(23(2)3)33(38)27-12-13-31-30(21-27)29(32(36-31)28-19-24(4)18-25(5)20-28)14-17-34-15-8-7-10-26-11-9-16-35-22-26/h9,11-13,16,18-23,34,36H,6-8,10,14-15,17H2,1-5H3
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-buserelin binding to human Gonadotropin-releasing hormone receptor.


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50101223
PNG
(2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-4-yl-butyl...)
Show SMILES CCN(CC)C(=O)c1ccc2[nH]c(c(CCNCCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C32H40N4O/c1-5-36(6-2)32(37)26-10-11-30-29(22-26)28(31(35-30)27-20-23(3)19-24(4)21-27)14-18-33-15-8-7-9-25-12-16-34-17-13-25/h10-13,16-17,19-22,33,35H,5-9,14-15,18H2,1-4H3
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n/an/a 12n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GnRH-stimulated phosphatidyinositol (PI) hydrolysis in cloned chinese hamster ovary (CHO) cells expressing human GnRH receptor.


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50101240
PNG
(1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimeth...)
Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2ccc(cc2c1CCNCCCCc1cccnc1)C(C)(C)C(=O)N1C2CCC1CC2 |THB:33:35:37.38:40.41|
Show InChI InChI=1S/C37H46N4O/c1-25-20-26(2)22-28(21-25)35-32(16-19-38-17-6-5-8-27-9-7-18-39-24-27)33-23-29(10-15-34(33)40-35)37(3,4)36(42)41-30-11-12-31(41)14-13-30/h7,9-10,15,18,20-24,30-31,38,40H,5-6,8,11-14,16-17,19H2,1-4H3
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n/an/a 14n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GnRH-stimulated phosphatidyinositol (PI) hydrolysis in cloned chinese hamster ovary (CHO) cells expressing human GnRH receptor.


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
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