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Compile Data Set for Download or QSAR

Found 545 hits with Last Name = 'sisco' and Initial = 'rm'   
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)
BDBM50101187
PNG
(2-(2-(3,5-Dimethyl-phenyl)-3-{2-[4-(4-methanesulfo...)
Show SMILES CN(C)C(=O)C(C)(C)c1ccc2[nH]c(c(CCNCCCCc3ccc(NS(C)(=O)=O)cc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C35H46N4O3S/c1-24-20-25(2)22-27(21-24)33-30(31-23-28(13-16-32(31)37-33)35(3,4)34(40)39(5)6)17-19-36-18-9-8-10-26-11-14-29(15-12-26)38-43(7,41)42/h11-16,20-23,36-38H,8-10,17-19H2,1-7H3
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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: 1723-6 (2001)


BindingDB Entry DOI: 10.7270/Q2KH0MK4
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101189
PNG
(CHEMBL49891 | N-{4-[4-(2-{2-(3,5-Dimethyl-phenyl)-...)
Show SMILES CC1CCC(C)N1C(=O)Cc1ccc2[nH]c(c(CCNCCCCc3ccc(NS(C)(=O)=O)cc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C37H48N4O3S/c1-25-20-26(2)22-31(21-25)37-33(17-19-38-18-7-6-8-29-11-14-32(15-12-29)40-45(5,43)44)34-23-30(13-16-35(34)39-37)24-36(42)41-27(3)9-10-28(41)4/h11-16,20-23,27-28,38-40H,6-10,17-19,24H2,1-5H3
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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: 1723-6 (2001)


BindingDB Entry DOI: 10.7270/Q2KH0MK4
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101170
PNG
(2-(2-(3,5-Dimethyl-phenyl)-3-{2-[4-(4-methanesulfo...)
Show SMILES CN(C)C(=O)Cc1ccc2[nH]c(c(CCNCCCCc3ccc(NS(C)(=O)=O)cc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C33H42N4O3S/c1-23-18-24(2)20-27(19-23)33-29(30-21-26(11-14-31(30)35-33)22-32(38)37(3)4)15-17-34-16-7-6-8-25-9-12-28(13-10-25)36-41(5,39)40/h9-14,18-21,34-36H,6-8,15-17,22H2,1-5H3
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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: 1723-6 (2001)


BindingDB Entry DOI: 10.7270/Q2KH0MK4
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101192
PNG
(CHEMBL45597 | N-[4-(4-{2-[5-(1,1-Dimethyl-2-morpho...)
Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2ccc(cc2c1CCNCCCCc1ccc(NS(C)(=O)=O)cc1)C(C)(C)C(=O)N1CCOCC1
Show InChI InChI=1S/C37H48N4O4S/c1-26-22-27(2)24-29(23-26)35-32(15-17-38-16-7-6-8-28-9-12-31(13-10-28)40-46(5,43)44)33-25-30(11-14-34(33)39-35)37(3,4)36(42)41-18-20-45-21-19-41/h9-14,22-25,38-40H,6-8,15-21H2,1-5H3
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Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 1723-6 (2001)


BindingDB Entry DOI: 10.7270/Q2KH0MK4
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101195
PNG
(CHEMBL47862 | N-[4-(4-{2-[2-(3,5-Dimethyl-phenyl)-...)
Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2ccc(cc2c1CCNCCCCc1ccc(NS(C)(=O)=O)cc1)C(=O)N1CCCC1
Show InChI InChI=1S/C34H42N4O3S/c1-24-20-25(2)22-28(21-24)33-30(31-23-27(11-14-32(31)36-33)34(39)38-18-6-7-19-38)15-17-35-16-5-4-8-26-9-12-29(13-10-26)37-42(3,40)41/h9-14,20-23,35-37H,4-8,15-19H2,1-3H3
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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: 1723-6 (2001)


BindingDB Entry DOI: 10.7270/Q2KH0MK4
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101171
PNG
(2-(2-(3,5-Dimethyl-phenyl)-3-{2-[4-(4-methanesulfo...)
Show SMILES CCN(CC)C(=O)C(C)c1ccc2[nH]c(c(CCNCCCCc3ccc(NS(C)(=O)=O)cc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C36H48N4O3S/c1-7-40(8-2)36(41)27(5)29-14-17-34-33(24-29)32(35(38-34)30-22-25(3)21-26(4)23-30)18-20-37-19-10-9-11-28-12-15-31(16-13-28)39-44(6,42)43/h12-17,21-24,27,37-39H,7-11,18-20H2,1-6H3
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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 absence of bovine serum albumin (BSA)


Bioorg Med Chem Lett 11: 1723-6 (2001)


BindingDB Entry DOI: 10.7270/Q2KH0MK4
More data for this
Ligand-Target Pair
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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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)
BDBM50101184
PNG
(CHEMBL47761 | N-[4-(4-{2-[5-(1,1-Dimethyl-2-oxo-2-...)
Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2ccc(cc2c1CCNCCCCc1ccc(NS(C)(=O)=O)cc1)C(C)(C)C(=O)N1CCCC1
Show InChI InChI=1S/C37H48N4O3S/c1-26-22-27(2)24-29(23-26)35-32(17-19-38-18-7-6-10-28-11-14-31(15-12-28)40-45(5,43)44)33-25-30(13-16-34(33)39-35)37(3,4)36(42)41-20-8-9-21-41/h11-16,22-25,38-40H,6-10,17-21H2,1-5H3
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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: 1723-6 (2001)


BindingDB Entry DOI: 10.7270/Q2KH0MK4
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101164
PNG
(CHEMBL295152 | N-{4-[4-(2-{2-(3,5-Dimethyl-phenyl)...)
Show SMILES CC1CCC(C)N1C(=O)C(C)(C)c1ccc2[nH]c(c(CCNCCCCc3ccc(NS(C)(=O)=O)cc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C39H52N4O3S/c1-26-22-27(2)24-31(23-26)37-34(19-21-40-20-9-8-10-30-13-16-33(17-14-30)42-47(7,45)46)35-25-32(15-18-36(35)41-37)39(5,6)38(44)43-28(3)11-12-29(43)4/h13-18,22-25,28-29,40-42H,8-12,19-21H2,1-7H3
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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 absence of bovine serum albumin (BSA)


Bioorg Med Chem Lett 11: 1723-6 (2001)


BindingDB Entry DOI: 10.7270/Q2KH0MK4
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101194
PNG
(2-(2-(3,5-Dimethyl-phenyl)-3-{2-[4-(4-methanesulfo...)
Show SMILES CCN(CC)C(=O)Cc1ccc2[nH]c(c(CCNCCCCc3ccc(NS(C)(=O)=O)cc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C35H46N4O3S/c1-6-39(7-2)34(40)24-28-13-16-33-32(23-28)31(35(37-33)29-21-25(3)20-26(4)22-29)17-19-36-18-9-8-10-27-11-14-30(15-12-27)38-43(5,41)42/h11-16,20-23,36-38H,6-10,17-19,24H2,1-5H3
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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: 1723-6 (2001)


BindingDB Entry DOI: 10.7270/Q2KH0MK4
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101188
PNG
(2-(3,5-Dimethyl-phenyl)-3-{2-[4-(4-methanesulfonyl...)
Show SMILES CCN(CC)C(=O)c1ccc2[nH]c(c(CCNCCCCc3ccc(NS(C)(=O)=O)cc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C34H44N4O3S/c1-6-38(7-2)34(39)27-13-16-32-31(23-27)30(33(36-32)28-21-24(3)20-25(4)22-28)17-19-35-18-9-8-10-26-11-14-29(15-12-26)37-42(5,40)41/h11-16,20-23,35-37H,6-10,17-19H2,1-5H3
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Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 1723-6 (2001)


BindingDB Entry DOI: 10.7270/Q2KH0MK4
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101191
PNG
(CHEMBL300045 | N-[4-(4-{2-[2-(3,5-Dimethyl-phenyl)...)
Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2ccc(cc2c1CCNCCCCc1ccc(NS(C)(=O)=O)cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C34H42N4O4S/c1-24-20-25(2)22-28(21-24)33-30(31-23-27(9-12-32(31)36-33)34(39)38-16-18-42-19-17-38)13-15-35-14-5-4-6-26-7-10-29(11-8-26)37-43(3,40)41/h7-12,20-23,35-37H,4-6,13-19H2,1-3H3
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Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 1723-6 (2001)


BindingDB Entry DOI: 10.7270/Q2KH0MK4
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101165
PNG
(CHEMBL239108 | N-[4-(4-{2-[2-(3,5-Dimethyl-phenyl)...)
Show SMILES CC1CCC(C)N1C(=O)c1ccc2[nH]c(c(CCNCCCCc3ccc(NS(C)(=O)=O)cc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C36H46N4O3S/c1-24-20-25(2)22-30(21-24)35-32(17-19-37-18-7-6-8-28-11-14-31(15-12-28)39-44(5,42)43)33-23-29(13-16-34(33)38-35)36(41)40-26(3)9-10-27(40)4/h11-16,20-23,26-27,37-39H,6-10,17-19H2,1-5H3
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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: 1723-6 (2001)


BindingDB Entry DOI: 10.7270/Q2KH0MK4
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101169
PNG
(2-(2-(3,5-Dimethyl-phenyl)-3-{2-[4-(4-methanesulfo...)
Show SMILES CCN(CC)C(=O)C(C)(C)c1ccc2[nH]c(c(CCNCCCCc3ccc(NS(C)(=O)=O)cc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C37H50N4O3S/c1-8-41(9-2)36(42)37(5,6)30-15-18-34-33(25-30)32(35(39-34)29-23-26(3)22-27(4)24-29)19-21-38-20-11-10-12-28-13-16-31(17-14-28)40-45(7,43)44/h13-18,22-25,38-40H,8-12,19-21H2,1-7H3
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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: 1723-6 (2001)


BindingDB Entry DOI: 10.7270/Q2KH0MK4
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50104550
PNG
(5-(2-{(S)-2-[5-[2-(2-Aza-bicyclo[2.2.2]oct-2-yl)-1...)
Show SMILES C[C@H](CNCCc1ccc(=O)n(C)c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,TLB:26:28:32.31:34.35,(5.93,1.35,;6.7,.02,;8.24,,;9.01,1.33,;10.55,1.32,;11.32,2.65,;12.86,2.65,;13.63,3.98,;15.17,3.98,;15.94,2.63,;17.48,2.63,;15.17,1.3,;15.92,-.03,;13.63,1.31,;5.91,-1.31,;6.53,-2.73,;5.39,-3.74,;4.06,-2.97,;2.6,-3.44,;1.47,-2.41,;1.8,-.91,;3.25,-.44,;4.39,-1.48,;.66,.13,;-.44,1.23,;2.15,.54,;-.81,-.33,;-1.14,-1.84,;-2.05,.6,;-1.65,1.93,;-2.82,2.33,;-4.43,1.7,;-5.08,.2,;-3.63,.82,;-3.63,2.98,;-2.82,4.08,;8.03,-3.06,;9.06,-1.91,;10.57,-2.24,;11.6,-1.1,;11.04,-3.71,;10.01,-4.85,;10.48,-6.31,;8.5,-4.53,)|
Show InChI InChI=1S/C38H48N4O2/c1-24-17-25(2)19-29(18-24)36-35(26(3)21-39-16-15-28-9-14-34(43)41(6)22-28)32-20-30(10-13-33(32)40-36)38(4,5)37(44)42-23-27-7-11-31(42)12-8-27/h9-10,13-14,17-20,22,26-27,31,39-40H,7-8,11-12,15-16,21,23H2,1-6H3/t26-,27?,31?/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin.


Bioorg Med Chem Lett 11: 2597-602 (2001)


BindingDB Entry DOI: 10.7270/Q2NV9HKC
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50104554
PNG
(5-(2-{(S)-2-[5-[2-(2-Aza-bicyclo[2.2.2]oct-2-yl)-1...)
Show SMILES C[C@H](CNCCc1ccc(=O)[nH]c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,THB:25:27:31.30:33.34,(5.93,1.35,;6.7,.02,;8.24,,;9.01,1.33,;10.55,1.32,;11.32,2.65,;12.86,2.65,;13.63,3.98,;15.17,3.98,;15.94,2.63,;17.48,2.63,;15.17,1.3,;13.63,1.31,;5.91,-1.31,;6.53,-2.73,;5.39,-3.74,;4.06,-2.97,;2.6,-3.44,;1.47,-2.41,;1.8,-.91,;3.25,-.44,;4.39,-1.48,;.66,.13,;2.15,.54,;-.44,1.23,;-.81,-.33,;-1.14,-1.84,;-2.05,.6,;-1.65,1.93,;-2.82,2.33,;-2.82,4.08,;-3.63,2.98,;-3.63,.82,;-5.08,.2,;-4.43,1.7,;8.03,-3.06,;8.5,-4.53,;10.01,-4.85,;10.48,-6.31,;11.04,-3.71,;10.57,-2.24,;11.6,-1.1,;9.06,-1.91,)|
Show InChI InChI=1S/C37H46N4O2/c1-23-16-24(2)18-28(17-23)35-34(25(3)20-38-15-14-26-8-13-33(42)39-21-26)31-19-29(9-12-32(31)40-35)37(4,5)36(43)41-22-27-6-10-30(41)11-7-27/h8-9,12-13,16-19,21,25,27,30,38,40H,6-7,10-11,14-15,20,22H2,1-5H3,(H,39,42)/t25-,27?,30?/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro functional antagonism via inhibition of GnRH-stimulated phosphatidylinositol (PI) hydrolysis in cloned Chinese hamster ovary (CHO) cells sta...


Bioorg Med Chem Lett 11: 2597-602 (2001)


BindingDB Entry DOI: 10.7270/Q2NV9HKC
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101181
PNG
(2-(3,5-Dimethyl-phenyl)-3-{2-[4-(4-methanesulfonyl...)
Show SMILES CC(C)N(C(C)C)C(=O)c1ccc2[nH]c(c(CCNCCCCc3ccc(NS(C)(=O)=O)cc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C36H48N4O3S/c1-24(2)40(25(3)4)36(41)29-13-16-34-33(23-29)32(35(38-34)30-21-26(5)20-27(6)22-30)17-19-37-18-9-8-10-28-11-14-31(15-12-28)39-44(7,42)43/h11-16,20-25,37-39H,8-10,17-19H2,1-7H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cys188Ala Src SH2 domain mutant using BIAcore binding assay


Bioorg Med Chem Lett 11: 1723-6 (2001)


BindingDB Entry DOI: 10.7270/Q2KH0MK4
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101167
PNG
(2-(2-(3,5-Dimethyl-phenyl)-3-{2-[4-(4-methanesulfo...)
Show SMILES CCOC(=O)C(C)(C)c1ccc2[nH]c(c(CCNCCCCc3ccc(NS(C)(=O)=O)cc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C35H45N3O4S/c1-7-42-34(39)35(4,5)28-13-16-32-31(23-28)30(33(37-32)27-21-24(2)20-25(3)22-27)17-19-36-18-9-8-10-26-11-14-29(15-12-26)38-43(6,40)41/h11-16,20-23,36-38H,7-10,17-19H2,1-6H3
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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: 1723-6 (2001)


BindingDB Entry DOI: 10.7270/Q2KH0MK4
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)
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)
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)
BDBM50101178
PNG
(2-(3,5-Dimethyl-phenyl)-3-{2-[4-(4-methanesulfonyl...)
Show SMILES CC(C)CN(CC(C)C)C(=O)c1ccc2[nH]c(c(CCNCCCCc3ccc(NS(C)(=O)=O)cc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C38H52N4O3S/c1-26(2)24-42(25-27(3)4)38(43)31-13-16-36-35(23-31)34(37(40-36)32-21-28(5)20-29(6)22-32)17-19-39-18-9-8-10-30-11-14-33(15-12-30)41-46(7,44)45/h11-16,20-23,26-27,39-41H,8-10,17-19,24-25H2,1-7H3
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Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 1723-6 (2001)


BindingDB Entry DOI: 10.7270/Q2KH0MK4
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


(Homo sapiens (Human))
BDBM50104551
PNG
(5-(2-{(S)-2-[5-[2-(2-Aza-bicyclo[2.2.2]oct-2-yl)-1...)
Show SMILES C[C@H](CNCCC1CCC(=O)N(C)C1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,TLB:26:28:32.31:34.35,(5.93,1.35,;6.7,.02,;8.24,,;9.01,1.33,;10.55,1.32,;11.32,2.65,;12.86,2.65,;13.63,3.98,;15.17,3.98,;15.94,2.63,;17.48,2.63,;15.17,1.3,;15.92,-.03,;13.63,1.31,;5.91,-1.31,;6.53,-2.73,;5.39,-3.74,;4.06,-2.97,;2.6,-3.44,;1.47,-2.41,;1.8,-.91,;3.25,-.44,;4.39,-1.48,;.66,.13,;-.44,1.23,;2.15,.54,;-.81,-.33,;-1.14,-1.84,;-2.05,.6,;-1.65,1.93,;-2.82,2.33,;-4.43,1.7,;-5.08,.2,;-3.63,.82,;-3.63,2.98,;-2.82,4.08,;8.03,-3.06,;9.06,-1.91,;10.57,-2.24,;11.6,-1.1,;11.04,-3.71,;10.01,-4.85,;10.48,-6.31,;8.5,-4.53,)|
Show InChI InChI=1S/C38H52N4O2/c1-24-17-25(2)19-29(18-24)36-35(26(3)21-39-16-15-28-9-14-34(43)41(6)22-28)32-20-30(10-13-33(32)40-36)38(4,5)37(44)42-23-27-7-11-31(42)12-8-27/h10,13,17-20,26-28,31,39-40H,7-9,11-12,14-16,21-23H2,1-6H3/t26-,27?,28?,31?/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin.


Bioorg Med Chem Lett 11: 2597-602 (2001)


BindingDB Entry DOI: 10.7270/Q2NV9HKC
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50104549
PNG
(5-(2-{(S)-2-[5-[2-(2-Aza-bicyclo[2.2.2]oct-2-yl)-1...)
Show SMILES COCn1cc(CCNC[C@@H](C)c2c([nH]c3ccc(cc23)C(C)(C)C(=O)N2CC3CCC2CC3)-c2cc(C)cc(C)c2)ccc1=O |wD:10.10,TLB:24:26:30.29:32.33,(18.23,-1.38,;17.46,-.05,;15.92,-.03,;15.17,1.3,;13.63,1.31,;12.86,2.65,;11.32,2.65,;10.55,1.32,;9.01,1.33,;8.24,,;6.7,.02,;5.93,1.35,;5.91,-1.31,;6.53,-2.73,;5.39,-3.74,;4.06,-2.97,;2.6,-3.44,;1.47,-2.41,;1.8,-.91,;3.25,-.44,;4.39,-1.48,;.66,.13,;-.44,1.23,;2.15,.54,;-.81,-.33,;-1.14,-1.84,;-2.05,.6,;-1.65,1.93,;-2.82,2.33,;-4.43,1.7,;-5.08,.2,;-3.63,.82,;-3.63,2.98,;-2.82,4.08,;8.03,-3.06,;8.5,-4.53,;10.01,-4.85,;10.48,-6.31,;11.04,-3.71,;10.57,-2.24,;11.6,-1.1,;9.06,-1.91,;13.63,3.98,;15.17,3.98,;15.94,2.63,;17.48,2.63,)|
Show InChI InChI=1S/C39H50N4O3/c1-25-17-26(2)19-30(18-25)37-36(27(3)21-40-16-15-29-9-14-35(44)42(22-29)24-46-6)33-20-31(10-13-34(33)41-37)39(4,5)38(45)43-23-28-7-11-32(43)12-8-28/h9-10,13-14,17-20,22,27-28,32,40-41H,7-8,11-12,15-16,21,23-24H2,1-6H3/t27-,28?,32?/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin.


Bioorg Med Chem Lett 11: 2597-602 (2001)


BindingDB Entry DOI: 10.7270/Q2NV9HKC
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50104564
PNG
(1-(1S,4R)-2-Aza-bicyclo[2.2.1]hept-2-yl-2-{2-(3,5-...)
Show SMILES C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C[C@@H]2CC[C@H]1C2)-c1cc(C)cc(C)c1 |TLB:26:28:34:32.31|
Show InChI InChI=1S/C38H48N4O/c1-25-18-26(2)20-30(19-25)36-35(27(3)23-40-15-7-6-8-28-13-16-39-17-14-28)33-22-31(10-12-34(33)41-36)38(4,5)37(43)42-24-29-9-11-32(42)21-29/h10,12-14,16-20,22,27,29,32,40-41H,6-9,11,15,21,23-24H2,1-5H3/t27-,29-,32+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin.


Bioorg Med Chem Lett 11: 2597-602 (2001)


BindingDB Entry DOI: 10.7270/Q2NV9HKC
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)
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)
BDBM50101179
PNG
(2-(2-(3,5-Dimethyl-phenyl)-3-{2-[4-(4-methanesulfo...)
Show SMILES CCCN(CCC)C(=O)C(C)(C)c1ccc2[nH]c(c(CCNCCCCc3ccc(NS(C)(=O)=O)cc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C39H54N4O3S/c1-8-22-43(23-9-2)38(44)39(5,6)32-15-18-36-35(27-32)34(37(41-36)31-25-28(3)24-29(4)26-31)19-21-40-20-11-10-12-30-13-16-33(17-14-30)42-47(7,45)46/h13-18,24-27,40-42H,8-12,19-23H2,1-7H3
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Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 1723-6 (2001)


BindingDB Entry DOI: 10.7270/Q2KH0MK4
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)
BDBM50101172
PNG
(CHEMBL49578 | N-[4-(4-{2-[5-(7-Aza-bicyclo[2.2.1]h...)
Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2ccc(cc2c1CCNCCCCc1ccc(NS(C)(=O)=O)cc1)C(=O)N1C2CCC1CC2 |TLB:35:37:39.40:43.42|
Show InChI InChI=1S/C36H44N4O3S/c1-24-20-25(2)22-28(21-24)35-32(17-19-37-18-5-4-6-26-7-10-29(11-8-26)39-44(3,42)43)33-23-27(9-16-34(33)38-35)36(41)40-30-12-13-31(40)15-14-30/h7-11,16,20-23,30-31,37-39H,4-6,12-15,17-19H2,1-3H3
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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: 1723-6 (2001)


BindingDB Entry DOI: 10.7270/Q2KH0MK4
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)
BDBM50101186
PNG
(2-(2-(3,5-Dimethyl-phenyl)-3-{2-[4-(4-methanesulfo...)
Show SMILES CCOC(=O)C(C)c1ccc2[nH]c(c(CCNCCCCc3ccc(NS(C)(=O)=O)cc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C34H43N3O4S/c1-6-41-34(38)25(4)27-12-15-32-31(22-27)30(33(36-32)28-20-23(2)19-24(3)21-28)16-18-35-17-8-7-9-26-10-13-29(14-11-26)37-42(5,39)40/h10-15,19-22,25,35-37H,6-9,16-18H2,1-5H3
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Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 1723-6 (2001)


BindingDB Entry DOI: 10.7270/Q2KH0MK4
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)
BDBM50101175
PNG
(2-(3,5-Dimethyl-phenyl)-3-{2-[4-(4-hydroxy-phenyl)...)
Show SMILES CCN(CC)C(=O)c1ccc2[nH]c(c(CCNCCCCc3ccc(O)cc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C33H41N3O2/c1-5-36(6-2)33(38)26-12-15-31-30(22-26)29(32(35-31)27-20-23(3)19-24(4)21-27)16-18-34-17-8-7-9-25-10-13-28(37)14-11-25/h10-15,19-22,34-35,37H,5-9,16-18H2,1-4H3
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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: 1723-6 (2001)


BindingDB Entry DOI: 10.7270/Q2KH0MK4
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


(Homo sapiens (Human))
BDBM50104546
PNG
(2-{2-(3,5-Dimethyl-phenyl)-3-[(S)-1-methyl-2-(4-py...)
Show SMILES C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CCC2(CC1)OCCO2)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C39H50N4O3/c1-27-22-28(2)24-31(23-27)36-35(29(3)26-41-15-7-6-8-30-11-16-40-17-12-30)33-25-32(9-10-34(33)42-36)38(4,5)37(44)43-18-13-39(14-19-43)45-20-21-46-39/h9-12,16-17,22-25,29,41-42H,6-8,13-15,18-21,26H2,1-5H3/t29-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin.


Bioorg Med Chem Lett 11: 2597-602 (2001)


BindingDB Entry DOI: 10.7270/Q2NV9HKC
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50104542
PNG
(1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-{2-(3,5-dimethy...)
Show SMILES C[C@H](CNCCc1cccnc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,TLB:24:26:30.29:32.33,(5.93,1.35,;6.7,.02,;8.24,,;9.01,1.33,;10.55,1.32,;11.32,2.65,;12.86,2.65,;13.63,3.98,;15.17,3.98,;15.94,2.63,;15.17,1.3,;13.63,1.31,;5.91,-1.31,;6.53,-2.73,;5.39,-3.74,;4.06,-2.97,;2.6,-3.44,;1.47,-2.41,;1.8,-.91,;3.25,-.44,;4.39,-1.48,;.66,.13,;-.44,1.23,;2.15,.54,;-.81,-.33,;-1.14,-1.84,;-2.05,.6,;-1.65,1.93,;-2.82,2.33,;-4.43,1.7,;-5.08,.2,;-3.63,.82,;-3.63,2.98,;-2.82,4.08,;8.03,-3.06,;9.06,-1.91,;10.57,-2.24,;11.6,-1.1,;11.04,-3.71,;10.01,-4.85,;10.48,-6.31,;8.5,-4.53,)|
Show InChI InChI=1S/C37H46N4O/c1-24-17-25(2)19-29(18-24)35-34(26(3)21-39-16-14-27-7-6-15-38-22-27)32-20-30(10-13-33(32)40-35)37(4,5)36(42)41-23-28-8-11-31(41)12-9-28/h6-7,10,13,15,17-20,22,26,28,31,39-40H,8-9,11-12,14,16,21,23H2,1-5H3/t26-,28?,31?/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro functional antagonism via inhibition of GnRH-stimulated phosphatidylinositol (PI) hydrolysis in cloned Chinese hamster ovary (CHO) cells sta...


Bioorg Med Chem Lett 11: 2597-602 (2001)


BindingDB Entry DOI: 10.7270/Q2NV9HKC
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


(Homo sapiens (Human))
BDBM50104540
PNG
(5-(2-{(S)-2-[5-[2-(2-Aza-bicyclo[2.2.2]oct-2-yl)-1...)
Show SMILES C[C@H](CNCCc1cc(C)c(=O)n(C)c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,TLB:27:29:33.32:35.36,(5.93,1.35,;6.7,.02,;8.24,,;9.01,1.33,;10.55,1.32,;11.32,2.65,;12.86,2.65,;13.63,3.98,;15.17,3.98,;15.94,5.31,;15.94,2.63,;17.48,2.63,;15.17,1.3,;15.92,-.03,;13.63,1.31,;5.91,-1.31,;6.53,-2.73,;5.39,-3.74,;4.06,-2.97,;2.6,-3.44,;1.47,-2.41,;1.8,-.91,;3.25,-.44,;4.39,-1.48,;.66,.13,;2.15,.54,;-.44,1.23,;-.81,-.33,;-1.14,-1.84,;-2.05,.6,;-1.65,1.93,;-2.82,2.33,;-4.43,1.7,;-5.08,.2,;-3.63,.82,;-3.63,2.98,;-2.82,4.08,;8.03,-3.06,;8.5,-4.53,;10.01,-4.85,;10.48,-6.31,;11.04,-3.71,;10.57,-2.24,;11.6,-1.1,;9.06,-1.91,)|
Show InChI InChI=1S/C39H50N4O2/c1-24-16-25(2)18-30(17-24)36-35(27(4)21-40-15-14-29-19-26(3)37(44)42(7)22-29)33-20-31(10-13-34(33)41-36)39(5,6)38(45)43-23-28-8-11-32(43)12-9-28/h10,13,16-20,22,27-28,32,40-41H,8-9,11-12,14-15,21,23H2,1-7H3/t27-,28?,32?/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin.


Bioorg Med Chem Lett 11: 2597-602 (2001)


BindingDB Entry DOI: 10.7270/Q2NV9HKC
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50104552
PNG
((S)-1-(2-aza-bicyclo[2.2.2]octan-2-yl)-2-(2-(3,5-d...)
Show SMILES C[C@H](CNCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |r,wD:1.0,TLB:24:26:29.30:33.32,(25.26,-8.15,;26.29,-9.29,;27.8,-8.96,;28.26,-7.49,;29.77,-7.16,;30.24,-5.69,;31.74,-5.37,;32.77,-6.5,;34.27,-6.18,;34.74,-4.71,;33.7,-3.57,;32.2,-3.9,;25.83,-10.75,;26.74,-12,;25.84,-13.25,;24.37,-12.78,;23.03,-13.56,;21.7,-12.79,;21.7,-11.25,;23.03,-10.48,;24.36,-11.24,;20.36,-10.48,;21.13,-9.14,;19.6,-11.81,;19.02,-9.71,;19.02,-8.17,;17.69,-10.48,;16.41,-9.46,;14.8,-9.85,;13.82,-8.69,;14.04,-10.08,;15.23,-11.49,;14.85,-12.73,;14.16,-11.3,;28.28,-11.99,;29.03,-10.65,;30.57,-10.64,;31.33,-9.3,;31.36,-11.97,;30.59,-13.31,;31.37,-14.64,;29.05,-13.32,)|
Show InChI InChI=1S/C37H46N4O/c1-24-18-25(2)20-29(19-24)35-34(26(3)22-39-17-14-27-12-15-38-16-13-27)32-21-30(8-11-33(32)40-35)37(4,5)36(42)41-23-28-6-9-31(41)10-7-28/h8,11-13,15-16,18-21,26,28,31,39-40H,6-7,9-10,14,17,22-23H2,1-5H3/t26-,28?,31?/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin.


Bioorg Med Chem Lett 11: 2597-602 (2001)


BindingDB Entry DOI: 10.7270/Q2NV9HKC
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)
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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n/an/a 0.600n/an/an/an/an/an/a



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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n/an/a 0.700n/an/an/an/an/an/a



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


(Homo sapiens (Human))
BDBM50104558
PNG
(1-(3,3-Dimethyl-azetidin-1-yl)-2-{2-(3,5-dimethyl-...)
Show SMILES C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC(C)(C)C1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C37H48N4O/c1-25-18-26(2)20-29(19-25)34-33(27(3)22-39-15-9-8-10-28-13-16-38-17-14-28)31-21-30(11-12-32(31)40-34)37(6,7)35(42)41-23-36(4,5)24-41/h11-14,16-21,27,39-40H,8-10,15,22-24H2,1-7H3/t27-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin.


Bioorg Med Chem Lett 11: 2597-602 (2001)


BindingDB Entry DOI: 10.7270/Q2NV9HKC
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50104543
PNG
(1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimeth...)
Show SMILES C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |TLB:26:28:30.31:33.34|
Show InChI InChI=1S/C38H48N4O/c1-25-20-26(2)22-29(21-25)36-35(27(3)24-40-17-7-6-8-28-15-18-39-19-16-28)33-23-30(9-14-34(33)41-36)38(4,5)37(43)42-31-10-11-32(42)13-12-31/h9,14-16,18-23,27,31-32,40-41H,6-8,10-13,17,24H2,1-5H3/t27-,31?,32?/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin.


Bioorg Med Chem Lett 11: 2597-602 (2001)


BindingDB Entry DOI: 10.7270/Q2NV9HKC
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
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