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PubMed code 15482932

Compile data set for download or QSAR
Found 32 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


(Homo sapiens (Human))		BDBM50155363
PNG
(7-Chloro-2-oxo-4-[2-(4-oxo-azetidin-2-yl)-ethoxy]-...)
Show SMILES Cc1cc(cc(C)c1C)-c1c(OCC[C@H]2CC(=O)N2)c2cc(C(=O)Nc3cnsn3)c(Cl)cc2[nH]c1=O
Show InChI InChI=1S/C26H24ClN5O4S/c1-12-6-15(7-13(2)14(12)3)23-24(36-5-4-16-8-22(33)29-16)18-9-17(19(27)10-20(18)30-26(23)35)25(34)31-21-11-28-37-32-21/h6-7,9-11,16H,4-5,8H2,1-3H3,(H,29,33)(H,30,35)(H,31,32,34)/t16-/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin releasing hormone receptor expressed in CHO cells was determined by using [125I]-buserelin as radioligand

Bioorg Med Chem Lett 14: 5599-603 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.056
BindingDB Entry DOI: 10.7270/Q20V8C8D
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50155355
PNG
(7-Chloro-2-oxo-4-[2-(5-oxo-pyrrolidin-2-yl)-ethoxy...)
Show SMILES Cc1cc(cc(C)c1C)-c1c(OCC[C@H]2CCC(=O)N2)c2cc(C(=O)Nc3cnsn3)c(Cl)cc2[nH]c1=O
Show InChI InChI=1S/C27H26ClN5O4S/c1-13-8-16(9-14(2)15(13)3)24-25(37-7-6-17-4-5-23(34)30-17)19-10-18(20(28)11-21(19)31-27(24)36)26(35)32-22-12-29-38-33-22/h8-12,17H,4-7H2,1-3H3,(H,30,34)(H,31,36)(H,32,33,35)/t17-/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin releasing hormone receptor expressed in CHO cells was determined by using [125I]-buserelin as radioligand

Bioorg Med Chem Lett 14: 5599-603 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.056
BindingDB Entry DOI: 10.7270/Q20V8C8D
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50090540
PNG
(7-Chloro-2-oxo-4-((S)-2-piperidin-2-yl-ethoxy)-3-(...)
Show SMILES Cc1cc(cc(C)c1C)-c1c(OCC[C@@H]2CCCCN2)c2cc(C(=O)Nc3ccncn3)c(Cl)cc2[nH]c1=O
Show InChI InChI=1S/C30H32ClN5O3/c1-17-12-20(13-18(2)19(17)3)27-28(39-11-8-21-6-4-5-9-33-21)23-14-22(24(31)15-25(23)35-30(27)38)29(37)36-26-7-10-32-16-34-26/h7,10,12-16,21,33H,4-6,8-9,11H2,1-3H3,(H,35,38)(H,32,34,36,37)/t21-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin releasing hormone receptor expressed in CHO cells was determined by using [125I]-buserelin as radioligand

Bioorg Med Chem Lett 14: 5599-603 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.056
BindingDB Entry DOI: 10.7270/Q20V8C8D
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50155359
PNG
(4-(2-Azetidin-2-yl-ethoxy)-7-chloro-2-oxo-3-((S)-3...)
Show SMILES Cc1cc(cc(C)c1C)-c1c(OCC[C@@H]2CCN2)c2cc(C(=O)Nc3cnsn3)c(Cl)cc2[nH]c1=O
Show InChI InChI=1S/C26H26ClN5O3S/c1-13-8-16(9-14(2)15(13)3)23-24(35-7-5-17-4-6-28-17)19-10-18(20(27)11-21(19)30-26(23)34)25(33)31-22-12-29-36-32-22/h8-12,17,28H,4-7H2,1-3H3,(H,30,34)(H,31,32,33)/t17-/m0/s1
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n/an/a 0.320n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin releasing hormone receptor expressed in CHO cells was determined by using [125I]-buserelin as radioligand

Bioorg Med Chem Lett 14: 5599-603 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.056
BindingDB Entry DOI: 10.7270/Q20V8C8D
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50098391
PNG
((S)-4-(2-(azetidin-2-yl)ethoxy)-7-chloro-2-oxo-N-(...)
Show SMILES Cc1cc(cc(C)c1C)-c1c(OCC[C@@H]2CCN2)c2cc(C(=O)Nc3ccncn3)c(Cl)cc2[nH]c1=O |r|
Show InChI InChI=1S/C28H28ClN5O3/c1-15-10-18(11-16(2)17(15)3)25-26(37-9-6-19-4-8-31-19)21-12-20(22(29)13-23(21)33-28(25)36)27(35)34-24-5-7-30-14-32-24/h5,7,10-14,19,31H,4,6,8-9H2,1-3H3,(H,33,36)(H,30,32,34,35)/t19-/m0/s1
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n/an/a 0.440n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin releasing hormone receptor expressed in CHO cells was determined by using [125I]-buserelin as radioligand

Bioorg Med Chem Lett 14: 5599-603 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.056
BindingDB Entry DOI: 10.7270/Q20V8C8D
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50155361
PNG
(7-Chloro-2-oxo-4-(2-piperidin-2-yl-ethoxy)-3-((S)-...)
Show SMILES Cc1cc(cc(C)c1C)-c1c(OCC[C@@H]2CCCCN2)c2cc(C(=O)Nc3cnsn3)c(Cl)cc2[nH]c1=O
Show InChI InChI=1S/C28H30ClN5O3S/c1-15-10-18(11-16(2)17(15)3)25-26(37-9-7-19-6-4-5-8-30-19)21-12-20(22(29)13-23(21)32-28(25)36)27(35)33-24-14-31-38-34-24/h10-14,19,30H,4-9H2,1-3H3,(H,32,36)(H,33,34,35)/t19-/m0/s1
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n/an/a 0.550n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin releasing hormone receptor expressed in CHO cells was determined by using [125I]-buserelin as radioligand

Bioorg Med Chem Lett 14: 5599-603 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.056
BindingDB Entry DOI: 10.7270/Q20V8C8D
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50155352
PNG
(7-Chloro-4-(2-[1,3]dioxolan-2-yl-ethoxy)-2-oxo-3-(...)
Show SMILES Cc1cc(cc(C)c1C)-c1c(OCCC2OCCO2)c2cc(C(=O)Nc3cnsn3)c(Cl)cc2[nH]c1=O
Show InChI InChI=1S/C26H25ClN4O5S/c1-13-8-16(9-14(2)15(13)3)23-24(36-5-4-22-34-6-7-35-22)18-10-17(19(27)11-20(18)29-26(23)33)25(32)30-21-12-28-37-31-21/h8-12,22H,4-7H2,1-3H3,(H,29,33)(H,30,31,32)
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n/an/a 0.600n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin releasing hormone receptor expressed in CHO cells was determined by using [125I]-buserelin as radioligand

Bioorg Med Chem Lett 14: 5599-603 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.056
BindingDB Entry DOI: 10.7270/Q20V8C8D
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50155364
PNG
(7-Chloro-2-oxo-4-[2-(tetrahydro-furan-2-yl)-ethoxy...)
Show SMILES Cc1cc(cc(C)c1C)-c1c(OCCC2CCCO2)c2cc(C(=O)Nc3ccncn3)c(Cl)cc2[nH]c1=O
Show InChI InChI=1S/C29H29ClN4O4/c1-16-11-19(12-17(2)18(16)3)26-27(38-10-7-20-5-4-9-37-20)22-13-21(23(30)14-24(22)33-29(26)36)28(35)34-25-6-8-31-15-32-25/h6,8,11-15,20H,4-5,7,9-10H2,1-3H3,(H,33,36)(H,31,32,34,35)
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n/an/a 0.600n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin releasing hormone receptor expressed in CHO cells was determined by using [125I]-buserelin as radioligand

Bioorg Med Chem Lett 14: 5599-603 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.056
BindingDB Entry DOI: 10.7270/Q20V8C8D
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50155362
PNG
(4-[2-(1-Aza-bicyclo[2.2.2]oct-2-yl)-ethoxy]-7-chlo...)
Show SMILES Cc1cc(cc(C)c1C)-c1c(OCCC2CC3CCN2CC3)c2cc(C(=O)Nc3cnsn3)c(Cl)cc2[nH]c1=O |(5.79,2.75,;5.81,1.21,;4.48,.44,;4.48,-1.1,;5.81,-1.87,;7.14,-1.1,;8.47,-1.87,;7.14,.44,;8.48,1.21,;3.13,-1.85,;1.8,-1.07,;1.8,.47,;.47,1.24,;.47,2.78,;-.86,3.55,;-2.19,2.77,;-3.52,3.55,;-2.94,4.71,;-1.45,4.29,;-.86,5.09,;-2.19,5.87,;-3.52,5.09,;.47,-1.85,;-.86,-1.07,;-2.19,-1.85,;-3.52,-1.1,;-3.52,.44,;-4.87,-1.87,;-6.2,-1.1,;-7.62,-1.7,;-8.63,-.56,;-7.88,.77,;-6.36,.44,;-2.19,-3.41,;-3.54,-4.18,;-.86,-4.18,;.47,-3.39,;1.8,-4.18,;3.13,-3.41,;4.46,-4.18,)|
Show InChI InChI=1S/C30H32ClN5O3S/c1-16-10-20(11-17(2)18(16)3)27-28(39-9-6-21-12-19-4-7-36(21)8-5-19)23-13-22(24(31)14-25(23)33-30(27)38)29(37)34-26-15-32-40-35-26/h10-11,13-15,19,21H,4-9,12H2,1-3H3,(H,33,38)(H,34,35,37)
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n/an/a 0.600n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin releasing hormone receptor expressed in CHO cells was determined by using [125I]-buserelin as radioligand

Bioorg Med Chem Lett 14: 5599-603 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.056
BindingDB Entry DOI: 10.7270/Q20V8C8D
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50155356
PNG
(7-Chloro-4-(2-morpholin-3-yl-ethoxy)-2-oxo-3-(3,4,...)
Show SMILES Cc1cc(cc(C)c1C)-c1c(OCCC2COCCN2)c2cc(C(=O)Nc3cnsn3)c(Cl)cc2[nH]c1=O
Show InChI InChI=1S/C27H28ClN5O4S/c1-14-8-17(9-15(2)16(14)3)24-25(37-6-4-18-13-36-7-5-29-18)20-10-19(21(28)11-22(20)31-27(24)35)26(34)32-23-12-30-38-33-23/h8-12,18,29H,4-7,13H2,1-3H3,(H,31,35)(H,32,33,34)
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n/an/a 0.700n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin releasing hormone receptor expressed in CHO cells was determined by using [125I]-buserelin as radioligand

Bioorg Med Chem Lett 14: 5599-603 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.056
BindingDB Entry DOI: 10.7270/Q20V8C8D
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50155355
PNG
(7-Chloro-2-oxo-4-[2-(5-oxo-pyrrolidin-2-yl)-ethoxy...)
Show SMILES Cc1cc(cc(C)c1C)-c1c(OCC[C@H]2CCC(=O)N2)c2cc(C(=O)Nc3cnsn3)c(Cl)cc2[nH]c1=O
Show InChI InChI=1S/C27H26ClN5O4S/c1-13-8-16(9-14(2)15(13)3)24-25(37-7-6-17-4-5-23(34)30-17)19-10-18(20(28)11-21(19)31-27(24)36)26(35)32-22-12-29-38-33-22/h8-12,17H,4-7H2,1-3H3,(H,30,34)(H,31,36)(H,32,33,35)/t17-/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
Inhibition of GnRH-stimulated phosphatidyl inositol hydrolysis in CHO cells expressing GnRH receptor

Bioorg Med Chem Lett 14: 5599-603 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.056
BindingDB Entry DOI: 10.7270/Q20V8C8D
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50155359
PNG
(4-(2-Azetidin-2-yl-ethoxy)-7-chloro-2-oxo-3-((S)-3...)
Show SMILES Cc1cc(cc(C)c1C)-c1c(OCC[C@@H]2CCN2)c2cc(C(=O)Nc3cnsn3)c(Cl)cc2[nH]c1=O
Show InChI InChI=1S/C26H26ClN5O3S/c1-13-8-16(9-14(2)15(13)3)23-24(35-7-5-17-4-6-28-17)19-10-18(20(27)11-21(19)30-26(23)34)25(33)31-22-12-29-36-32-22/h8-12,17,28H,4-7H2,1-3H3,(H,30,34)(H,31,32,33)/t17-/m0/s1
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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 phosphatidyl inositol hydrolysis in CHO cells expressing GnRH receptor

Bioorg Med Chem Lett 14: 5599-603 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.056
BindingDB Entry DOI: 10.7270/Q20V8C8D
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50155365
PNG
(7-Chloro-2-oxo-4-(2-pyrrolidin-2-yl-ethoxy)-3-((S)...)
Show SMILES Cc1cc(cc(C)c1C)-c1c(OCC[C@@H]2CCCN2)c2cc(C(=O)Nc3ccncn3)c(Cl)cc2[nH]c1=O
Show InChI InChI=1S/C29H30ClN5O3/c1-16-11-19(12-17(2)18(16)3)26-27(38-10-7-20-5-4-8-32-20)22-13-21(23(30)14-24(22)34-29(26)37)28(36)35-25-6-9-31-15-33-25/h6,9,11-15,20,32H,4-5,7-8,10H2,1-3H3,(H,34,37)(H,31,33,35,36)/t20-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin releasing hormone receptor expressed in CHO cells was determined by using [125I]-buserelin as radioligand

Bioorg Med Chem Lett 14: 5599-603 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.056
BindingDB Entry DOI: 10.7270/Q20V8C8D
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50155360
PNG
(7-Chloro-4-(2-oxetan-2-yl-ethoxy)-2-oxo-3-((R)-3,4...)
Show SMILES Cc1cc(cc(C)c1C)-c1c(OCC[C@H]2CCO2)c2cc(C(=O)Nc3cnsn3)c(Cl)cc2[nH]c1=O
Show InChI InChI=1S/C26H25ClN4O4S/c1-13-8-16(9-14(2)15(13)3)23-24(35-7-5-17-4-6-34-17)19-10-18(20(27)11-21(19)29-26(23)33)25(32)30-22-12-28-36-31-22/h8-12,17H,4-7H2,1-3H3,(H,29,33)(H,30,31,32)/t17-/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin releasing hormone receptor expressed in CHO cells was determined by using [125I]-buserelin as radioligand

Bioorg Med Chem Lett 14: 5599-603 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.056
BindingDB Entry DOI: 10.7270/Q20V8C8D
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50098391
PNG
((S)-4-(2-(azetidin-2-yl)ethoxy)-7-chloro-2-oxo-N-(...)
Show SMILES Cc1cc(cc(C)c1C)-c1c(OCC[C@@H]2CCN2)c2cc(C(=O)Nc3ccncn3)c(Cl)cc2[nH]c1=O |r|
Show InChI InChI=1S/C28H28ClN5O3/c1-15-10-18(11-16(2)17(15)3)25-26(37-9-6-19-4-8-31-19)21-12-20(22(29)13-23(21)33-28(25)36)27(35)34-24-5-7-30-14-32-24/h5,7,10-14,19,31H,4,6,8-9H2,1-3H3,(H,33,36)(H,30,32,34,35)/t19-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GnRH-stimulated phosphatidyl inositol hydrolysis in CHO cells expressing GnRH receptor

Bioorg Med Chem Lett 14: 5599-603 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.056
BindingDB Entry DOI: 10.7270/Q20V8C8D
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50155363
PNG
(7-Chloro-2-oxo-4-[2-(4-oxo-azetidin-2-yl)-ethoxy]-...)
Show SMILES Cc1cc(cc(C)c1C)-c1c(OCC[C@H]2CC(=O)N2)c2cc(C(=O)Nc3cnsn3)c(Cl)cc2[nH]c1=O
Show InChI InChI=1S/C26H24ClN5O4S/c1-12-6-15(7-13(2)14(12)3)23-24(36-5-4-16-8-22(33)29-16)18-9-17(19(27)10-20(18)30-26(23)35)25(34)31-21-11-28-37-32-21/h6-7,9-11,16H,4-5,8H2,1-3H3,(H,29,33)(H,30,35)(H,31,32,34)/t16-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GnRH-stimulated phosphatidyl inositol hydrolysis in CHO cells expressing GnRH receptor

Bioorg Med Chem Lett 14: 5599-603 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.056
BindingDB Entry DOI: 10.7270/Q20V8C8D
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50155354
PNG
(7-Chloro-4-[2-(1-methyl-5-oxo-pyrrolidin-2-yl)-eth...)
Show SMILES CN1[C@@H](CCOc2c(-c3cc(C)c(C)c(C)c3)c(=O)[nH]c3cc(Cl)c(cc23)C(=O)Nc2cnsn2)CCC1=O
Show InChI InChI=1S/C28H28ClN5O4S/c1-14-9-17(10-15(2)16(14)3)25-26(38-8-7-18-5-6-24(35)34(18)4)20-11-19(21(29)12-22(20)31-28(25)37)27(36)32-23-13-30-39-33-23/h9-13,18H,5-8H2,1-4H3,(H,31,37)(H,32,33,36)/t18-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin releasing hormone receptor expressed in CHO cells was determined by using [125I]-buserelin as radioligand

Bioorg Med Chem Lett 14: 5599-603 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.056
BindingDB Entry DOI: 10.7270/Q20V8C8D
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50155361
PNG
(7-Chloro-2-oxo-4-(2-piperidin-2-yl-ethoxy)-3-((S)-...)
Show SMILES Cc1cc(cc(C)c1C)-c1c(OCC[C@@H]2CCCCN2)c2cc(C(=O)Nc3cnsn3)c(Cl)cc2[nH]c1=O
Show InChI InChI=1S/C28H30ClN5O3S/c1-15-10-18(11-16(2)17(15)3)25-26(37-9-7-19-6-4-5-8-30-19)21-12-20(22(29)13-23(21)32-28(25)36)27(35)33-24-14-31-38-34-24/h10-14,19,30H,4-9H2,1-3H3,(H,32,36)(H,33,34,35)/t19-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GnRH-stimulated phosphatidyl inositol hydrolysis in CHO cells expressing GnRH receptor

Bioorg Med Chem Lett 14: 5599-603 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.056
BindingDB Entry DOI: 10.7270/Q20V8C8D
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50155353
PNG
(7-Chloro-2-oxo-4-[2-((R)-6-trifluoromethyl-piperid...)
Show SMILES Cc1cc(cc(C)c1C)-c1c(OCC[C@@H]2CCC[C@@H](N2)C(F)(F)F)c2cc(C(=O)Nc3ccncn3)c(Cl)cc2[nH]c1=O
Show InChI InChI=1S/C31H31ClF3N5O3/c1-16-11-19(12-17(2)18(16)3)27-28(43-10-8-20-5-4-6-25(38-20)31(33,34)35)22-13-21(23(32)14-24(22)39-30(27)42)29(41)40-26-7-9-36-15-37-26/h7,9,11-15,20,25,38H,4-6,8,10H2,1-3H3,(H,39,42)(H,36,37,40,41)/t20-,25+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin releasing hormone receptor expressed in CHO cells was determined by using [125I]-buserelin as radioligand

Bioorg Med Chem Lett 14: 5599-603 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.056
BindingDB Entry DOI: 10.7270/Q20V8C8D
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50155357
PNG
(7-Chloro-4-[2-((R)-1-methyl-6-trifluoromethyl-pipe...)
Show SMILES CN1[C@H](CCOc2c(-c3cc(C)c(C)c(C)c3)c(=O)[nH]c3cc(Cl)c(cc23)C(=O)Nc2ccncn2)CCC[C@@H]1C(F)(F)F
Show InChI InChI=1S/C32H33ClF3N5O3/c1-17-12-20(13-18(2)19(17)3)28-29(44-11-9-21-6-5-7-26(41(21)4)32(34,35)36)23-14-22(24(33)15-25(23)39-31(28)43)30(42)40-27-8-10-37-16-38-27/h8,10,12-16,21,26H,5-7,9,11H2,1-4H3,(H,39,43)(H,37,38,40,42)/t21-,26+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin releasing hormone receptor expressed in CHO cells was determined by using [125I]-buserelin as radioligand

Bioorg Med Chem Lett 14: 5599-603 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.056
BindingDB Entry DOI: 10.7270/Q20V8C8D
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50090540
PNG
(7-Chloro-2-oxo-4-((S)-2-piperidin-2-yl-ethoxy)-3-(...)
Show SMILES Cc1cc(cc(C)c1C)-c1c(OCC[C@@H]2CCCCN2)c2cc(C(=O)Nc3ccncn3)c(Cl)cc2[nH]c1=O
Show InChI InChI=1S/C30H32ClN5O3/c1-17-12-20(13-18(2)19(17)3)27-28(39-11-8-21-6-4-5-9-33-21)23-14-22(24(31)15-25(23)35-30(27)38)29(37)36-26-7-10-32-16-34-26/h7,10,12-16,21,33H,4-6,8-9,11H2,1-3H3,(H,35,38)(H,32,34,36,37)/t21-/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GnRH-stimulated phosphatidyl inositol hydrolysis in CHO cells expressing GnRH receptor

Bioorg Med Chem Lett 14: 5599-603 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.056
BindingDB Entry DOI: 10.7270/Q20V8C8D
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50155365
PNG
(7-Chloro-2-oxo-4-(2-pyrrolidin-2-yl-ethoxy)-3-((S)...)
Show SMILES Cc1cc(cc(C)c1C)-c1c(OCC[C@@H]2CCCN2)c2cc(C(=O)Nc3ccncn3)c(Cl)cc2[nH]c1=O
Show InChI InChI=1S/C29H30ClN5O3/c1-16-11-19(12-17(2)18(16)3)26-27(38-10-7-20-5-4-8-32-20)22-13-21(23(30)14-24(22)34-29(26)37)28(36)35-25-6-9-31-15-33-25/h6,9,11-15,20,32H,4-5,7-8,10H2,1-3H3,(H,34,37)(H,31,33,35,36)/t20-/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GnRH-stimulated phosphatidyl inositol hydrolysis in CHO cells expressing GnRH receptor

Bioorg Med Chem Lett 14: 5599-603 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.056
BindingDB Entry DOI: 10.7270/Q20V8C8D
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50155364
PNG
(7-Chloro-2-oxo-4-[2-(tetrahydro-furan-2-yl)-ethoxy...)
Show SMILES Cc1cc(cc(C)c1C)-c1c(OCCC2CCCO2)c2cc(C(=O)Nc3ccncn3)c(Cl)cc2[nH]c1=O
Show InChI InChI=1S/C29H29ClN4O4/c1-16-11-19(12-17(2)18(16)3)26-27(38-10-7-20-5-4-9-37-20)22-13-21(23(30)14-24(22)33-29(26)36)28(35)34-25-6-8-31-15-32-25/h6,8,11-15,20H,4-5,7,9-10H2,1-3H3,(H,33,36)(H,31,32,34,35)
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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 GnRH-stimulated phosphatidyl inositol hydrolysis in CHO cells expressing GnRH receptor

Bioorg Med Chem Lett 14: 5599-603 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.056
BindingDB Entry DOI: 10.7270/Q20V8C8D
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50155362
PNG
(4-[2-(1-Aza-bicyclo[2.2.2]oct-2-yl)-ethoxy]-7-chlo...)
Show SMILES Cc1cc(cc(C)c1C)-c1c(OCCC2CC3CCN2CC3)c2cc(C(=O)Nc3cnsn3)c(Cl)cc2[nH]c1=O |(5.79,2.75,;5.81,1.21,;4.48,.44,;4.48,-1.1,;5.81,-1.87,;7.14,-1.1,;8.47,-1.87,;7.14,.44,;8.48,1.21,;3.13,-1.85,;1.8,-1.07,;1.8,.47,;.47,1.24,;.47,2.78,;-.86,3.55,;-2.19,2.77,;-3.52,3.55,;-2.94,4.71,;-1.45,4.29,;-.86,5.09,;-2.19,5.87,;-3.52,5.09,;.47,-1.85,;-.86,-1.07,;-2.19,-1.85,;-3.52,-1.1,;-3.52,.44,;-4.87,-1.87,;-6.2,-1.1,;-7.62,-1.7,;-8.63,-.56,;-7.88,.77,;-6.36,.44,;-2.19,-3.41,;-3.54,-4.18,;-.86,-4.18,;.47,-3.39,;1.8,-4.18,;3.13,-3.41,;4.46,-4.18,)|
Show InChI InChI=1S/C30H32ClN5O3S/c1-16-10-20(11-17(2)18(16)3)27-28(39-9-6-21-12-19-4-7-36(21)8-5-19)23-13-22(24(31)14-25(23)33-30(27)38)29(37)34-26-15-32-40-35-26/h10-11,13-15,19,21H,4-9,12H2,1-3H3,(H,33,38)(H,34,35,37)
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n/an/a 5.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GnRH-stimulated phosphatidyl inositol hydrolysis in CHO cells expressing GnRH receptor

Bioorg Med Chem Lett 14: 5599-603 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.056
BindingDB Entry DOI: 10.7270/Q20V8C8D
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50155354
PNG
(7-Chloro-4-[2-(1-methyl-5-oxo-pyrrolidin-2-yl)-eth...)
Show SMILES CN1[C@@H](CCOc2c(-c3cc(C)c(C)c(C)c3)c(=O)[nH]c3cc(Cl)c(cc23)C(=O)Nc2cnsn2)CCC1=O
Show InChI InChI=1S/C28H28ClN5O4S/c1-14-9-17(10-15(2)16(14)3)25-26(38-8-7-18-5-6-24(35)34(18)4)20-11-19(21(29)12-22(20)31-28(25)37)27(36)32-23-13-30-39-33-23/h9-13,18H,5-8H2,1-4H3,(H,31,37)(H,32,33,36)/t18-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GnRH-stimulated phosphatidyl inositol hydrolysis in CHO cells expressing GnRH receptor

Bioorg Med Chem Lett 14: 5599-603 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.056
BindingDB Entry DOI: 10.7270/Q20V8C8D
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50155353
PNG
(7-Chloro-2-oxo-4-[2-((R)-6-trifluoromethyl-piperid...)
Show SMILES Cc1cc(cc(C)c1C)-c1c(OCC[C@@H]2CCC[C@@H](N2)C(F)(F)F)c2cc(C(=O)Nc3ccncn3)c(Cl)cc2[nH]c1=O
Show InChI InChI=1S/C31H31ClF3N5O3/c1-16-11-19(12-17(2)18(16)3)27-28(43-10-8-20-5-4-6-25(38-20)31(33,34)35)22-13-21(23(32)14-24(22)39-30(27)42)29(41)40-26-7-9-36-15-37-26/h7,9,11-15,20,25,38H,4-6,8,10H2,1-3H3,(H,39,42)(H,36,37,40,41)/t20-,25+/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GnRH-stimulated phosphatidyl inositol hydrolysis in CHO cells expressing GnRH receptor

Bioorg Med Chem Lett 14: 5599-603 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.056
BindingDB Entry DOI: 10.7270/Q20V8C8D
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50155357
PNG
(7-Chloro-4-[2-((R)-1-methyl-6-trifluoromethyl-pipe...)
Show SMILES CN1[C@H](CCOc2c(-c3cc(C)c(C)c(C)c3)c(=O)[nH]c3cc(Cl)c(cc23)C(=O)Nc2ccncn2)CCC[C@@H]1C(F)(F)F
Show InChI InChI=1S/C32H33ClF3N5O3/c1-17-12-20(13-18(2)19(17)3)28-29(44-11-9-21-6-5-7-26(41(21)4)32(34,35)36)23-14-22(24(33)15-25(23)39-31(28)43)30(42)40-27-8-10-37-16-38-27/h8,10,12-16,21,26H,5-7,9,11H2,1-4H3,(H,39,43)(H,37,38,40,42)/t21-,26+/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GnRH-stimulated phosphatidyl inositol hydrolysis in CHO cells expressing GnRH receptor

Bioorg Med Chem Lett 14: 5599-603 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.056
BindingDB Entry DOI: 10.7270/Q20V8C8D
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50155356
PNG
(7-Chloro-4-(2-morpholin-3-yl-ethoxy)-2-oxo-3-(3,4,...)
Show SMILES Cc1cc(cc(C)c1C)-c1c(OCCC2COCCN2)c2cc(C(=O)Nc3cnsn3)c(Cl)cc2[nH]c1=O
Show InChI InChI=1S/C27H28ClN5O4S/c1-14-8-17(9-15(2)16(14)3)24-25(37-6-4-18-13-36-7-5-29-18)20-10-19(21(28)11-22(20)31-27(24)35)26(34)32-23-12-30-38-33-23/h8-12,18,29H,4-7,13H2,1-3H3,(H,31,35)(H,32,33,34)
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n/an/a 32n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GnRH-stimulated phosphatidyl inositol hydrolysis in CHO cells expressing GnRH receptor

Bioorg Med Chem Lett 14: 5599-603 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.056
BindingDB Entry DOI: 10.7270/Q20V8C8D
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50155360
PNG
(7-Chloro-4-(2-oxetan-2-yl-ethoxy)-2-oxo-3-((R)-3,4...)
Show SMILES Cc1cc(cc(C)c1C)-c1c(OCC[C@H]2CCO2)c2cc(C(=O)Nc3cnsn3)c(Cl)cc2[nH]c1=O
Show InChI InChI=1S/C26H25ClN4O4S/c1-13-8-16(9-14(2)15(13)3)23-24(35-7-5-17-4-6-34-17)19-10-18(20(27)11-21(19)29-26(23)33)25(32)30-22-12-28-36-31-22/h8-12,17H,4-7H2,1-3H3,(H,29,33)(H,30,31,32)/t17-/m1/s1
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n/an/a 49n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GnRH-stimulated phosphatidyl inositol hydrolysis in CHO cells expressing GnRH receptor

Bioorg Med Chem Lett 14: 5599-603 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.056
BindingDB Entry DOI: 10.7270/Q20V8C8D
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50155352
PNG
(7-Chloro-4-(2-[1,3]dioxolan-2-yl-ethoxy)-2-oxo-3-(...)
Show SMILES Cc1cc(cc(C)c1C)-c1c(OCCC2OCCO2)c2cc(C(=O)Nc3cnsn3)c(Cl)cc2[nH]c1=O
Show InChI InChI=1S/C26H25ClN4O5S/c1-13-8-16(9-14(2)15(13)3)23-24(36-5-4-22-34-6-7-35-22)18-10-17(19(27)11-20(18)29-26(23)33)25(32)30-21-12-28-37-31-21/h8-12,22H,4-7H2,1-3H3,(H,29,33)(H,30,31,32)
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n/an/a 67n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GnRH-stimulated phosphatidyl inositol hydrolysis in CHO cells expressing GnRH receptor

Bioorg Med Chem Lett 14: 5599-603 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.056
BindingDB Entry DOI: 10.7270/Q20V8C8D
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50155358
PNG
(7-Chloro-4-(2-cyclopentyl-ethoxy)-2-oxo-3-(3,4,5-t...)
Show SMILES Cc1cc(cc(C)c1C)-c1c(OCCC2CCCC2)c2cc(C(=O)Nc3cnsn3)c(Cl)cc2[nH]c1=O
Show InChI InChI=1S/C28H29ClN4O3S/c1-15-10-19(11-16(2)17(15)3)25-26(36-9-8-18-6-4-5-7-18)21-12-20(22(29)13-23(21)31-28(25)35)27(34)32-24-14-30-37-33-24/h10-14,18H,4-9H2,1-3H3,(H,31,35)(H,32,33,34)
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n/an/a 243n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin releasing hormone receptor expressed in CHO cells was determined by using [125I]-buserelin as radioligand

Bioorg Med Chem Lett 14: 5599-603 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.056
BindingDB Entry DOI: 10.7270/Q20V8C8D
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50155358
PNG
(7-Chloro-4-(2-cyclopentyl-ethoxy)-2-oxo-3-(3,4,5-t...)
Show SMILES Cc1cc(cc(C)c1C)-c1c(OCCC2CCCC2)c2cc(C(=O)Nc3cnsn3)c(Cl)cc2[nH]c1=O
Show InChI InChI=1S/C28H29ClN4O3S/c1-15-10-19(11-16(2)17(15)3)25-26(36-9-8-18-6-4-5-7-18)21-12-20(22(29)13-23(21)31-28(25)35)27(34)32-24-14-30-37-33-24/h10-14,18H,4-9H2,1-3H3,(H,31,35)(H,32,33,34)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.15E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GnRH-stimulated phosphatidyl inositol hydrolysis in CHO cells expressing GnRH receptor

Bioorg Med Chem Lett 14: 5599-603 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.056
BindingDB Entry DOI: 10.7270/Q20V8C8D
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%