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PubMed code 11327593

Compile data set for download or QSAR
Found 16 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50099023
PNG
(CHEMBL11149 | N-[4-(4-{2-[2-(3,5-Dimethyl-phenyl)-...)
Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2ccccc2c1CCNCCCCc1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C29H35N3O2S/c1-21-18-22(2)20-24(19-21)29-27(26-9-4-5-10-28(26)31-29)15-17-30-16-7-6-8-23-11-13-25(14-12-23)32-35(3,33)34/h4-5,9-14,18-20,30-32H,6-8,15-17H2,1-3H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat GnRH receptor binding

Bioorg Med Chem Lett 11: 1073-6 (2001)


BindingDB Entry DOI: 10.7270/Q2NS0T5M
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


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

Curated by ChEMBL


Assay Description
Inhibition of rat GnRH receptor binding

Bioorg Med Chem Lett 11: 1073-6 (2001)


BindingDB Entry DOI: 10.7270/Q2NS0T5M
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50099028
PNG
(1-[4-(4-{2-[2-(3,5-Dimethyl-phenyl)-1H-indol-3-yl]...)
Show SMILES CCNC(=O)Nc1ccc(CCCCNCCc2c([nH]c3ccccc23)-c2cc(C)cc(C)c2)cc1
Show InChI InChI=1S/C31H38N4O/c1-4-33-31(36)34-26-14-12-24(13-15-26)9-7-8-17-32-18-16-28-27-10-5-6-11-29(27)35-30(28)25-20-22(2)19-23(3)21-25/h5-6,10-15,19-21,32,35H,4,7-9,16-18H2,1-3H3,(H2,33,34,36)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat GnRH receptor binding

Bioorg Med Chem Lett 11: 1073-6 (2001)


BindingDB Entry DOI: 10.7270/Q2NS0T5M
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50099017
PNG
(4-(4-{2-[2-(3,5-Dimethyl-phenyl)-1H-indol-3-yl]-et...)
Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2ccccc2c1CCNCCCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C28H33N3O2S/c1-20-17-21(2)19-23(18-20)28-26(25-8-3-4-9-27(25)31-28)14-16-30-15-6-5-7-22-10-12-24(13-11-22)34(29,32)33/h3-4,8-13,17-19,30-31H,5-7,14-16H2,1-2H3,(H2,29,32,33)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat GnRH receptor binding

Bioorg Med Chem Lett 11: 1073-6 (2001)


BindingDB Entry DOI: 10.7270/Q2NS0T5M
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50099025
PNG
(CHEMBL11011 | N-[4-(4-{2-[2-(3,5-Dimethyl-phenyl)-...)
Show SMILES CCNS(=O)(=O)Nc1ccc(CCCCNCCc2c([nH]c3ccccc23)-c2cc(C)cc(C)c2)cc1
Show InChI InChI=1S/C30H38N4O2S/c1-4-32-37(35,36)34-26-14-12-24(13-15-26)9-7-8-17-31-18-16-28-27-10-5-6-11-29(27)33-30(28)25-20-22(2)19-23(3)21-25/h5-6,10-15,19-21,31-34H,4,7-9,16-18H2,1-3H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat GnRH receptor binding

Bioorg Med Chem Lett 11: 1073-6 (2001)


BindingDB Entry DOI: 10.7270/Q2NS0T5M
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50099022
PNG
(CHEMBL268479 | N-[4-(4-{2-[2-(3,5-Dimethyl-phenyl)...)
Show SMILES CNS(=O)(=O)Nc1ccc(CCCCNCCc2c([nH]c3ccccc23)-c2cc(C)cc(C)c2)cc1
Show InChI InChI=1S/C29H36N4O2S/c1-21-18-22(2)20-24(19-21)29-27(26-9-4-5-10-28(26)32-29)15-17-31-16-7-6-8-23-11-13-25(14-12-23)33-36(34,35)30-3/h4-5,9-14,18-20,30-33H,6-8,15-17H2,1-3H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat GnRH receptor binding

Bioorg Med Chem Lett 11: 1073-6 (2001)


BindingDB Entry DOI: 10.7270/Q2NS0T5M
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50099024
PNG
(1-[4-(4-{2-[2-(3,5-Dimethyl-phenyl)-1H-indol-3-yl]...)
Show SMILES CNC(=O)Nc1ccc(CCCCNCCc2c([nH]c3ccccc23)-c2cc(C)cc(C)c2)cc1
Show InChI InChI=1S/C30H36N4O/c1-21-18-22(2)20-24(19-21)29-27(26-9-4-5-10-28(26)34-29)15-17-32-16-7-6-8-23-11-13-25(14-12-23)33-30(35)31-3/h4-5,9-14,18-20,32,34H,6-8,15-17H2,1-3H3,(H2,31,33,35)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat GnRH receptor binding

Bioorg Med Chem Lett 11: 1073-6 (2001)


BindingDB Entry DOI: 10.7270/Q2NS0T5M
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50099023
PNG
(CHEMBL11149 | N-[4-(4-{2-[2-(3,5-Dimethyl-phenyl)-...)
Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2ccccc2c1CCNCCCCc1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C29H35N3O2S/c1-21-18-22(2)20-24(19-21)29-27(26-9-4-5-10-28(26)31-29)15-17-30-16-7-6-8-23-11-13-25(14-12-23)32-35(3,33)34/h4-5,9-14,18-20,30-32H,6-8,15-17H2,1-3H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Gonadotropin-releasing hormone receptor binding

Bioorg Med Chem Lett 11: 1073-6 (2001)


BindingDB Entry DOI: 10.7270/Q2NS0T5M
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50099029
PNG
(CHEMBL10941 | Ethanesulfonic acid [4-(4-{2-[2-(3,5...)
Show SMILES CCS(=O)(=O)Nc1ccc(CCCCNCCc2c([nH]c3ccccc23)-c2cc(C)cc(C)c2)cc1
Show InChI InChI=1S/C30H37N3O2S/c1-4-36(34,35)33-26-14-12-24(13-15-26)9-7-8-17-31-18-16-28-27-10-5-6-11-29(27)32-30(28)25-20-22(2)19-23(3)21-25/h5-6,10-15,19-21,31-33H,4,7-9,16-18H2,1-3H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat GnRH receptor binding

Bioorg Med Chem Lett 11: 1073-6 (2001)


BindingDB Entry DOI: 10.7270/Q2NS0T5M
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50099021
PNG
(CHEMBL11370 | N-[4-(4-{2-[2-(3,5-Dimethyl-phenyl)-...)
Show SMILES CC(=O)Nc1ccc(CCCCNCCc2c([nH]c3ccccc23)-c2cc(C)cc(C)c2)cc1
Show InChI InChI=1S/C30H35N3O/c1-21-18-22(2)20-25(19-21)30-28(27-9-4-5-10-29(27)33-30)15-17-31-16-7-6-8-24-11-13-26(14-12-24)32-23(3)34/h4-5,9-14,18-20,31,33H,6-8,15-17H2,1-3H3,(H,32,34)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat GnRH receptor binding

Bioorg Med Chem Lett 11: 1073-6 (2001)


BindingDB Entry DOI: 10.7270/Q2NS0T5M
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50099020
PNG
(CHEMBL11156 | Propane-2-sulfonic acid [4-(4-{2-[2-...)
Show SMILES CC(C)S(=O)(=O)Nc1ccc(CCCCNCCc2c([nH]c3ccccc23)-c2cc(C)cc(C)c2)cc1
Show InChI InChI=1S/C31H39N3O2S/c1-22(2)37(35,36)34-27-14-12-25(13-15-27)9-7-8-17-32-18-16-29-28-10-5-6-11-30(28)33-31(29)26-20-23(3)19-24(4)21-26/h5-6,10-15,19-22,32-34H,7-9,16-18H2,1-4H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat GnRH receptor binding

Bioorg Med Chem Lett 11: 1073-6 (2001)


BindingDB Entry DOI: 10.7270/Q2NS0T5M
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50099019
PNG
(4-(4-{2-[2-(3,5-Dimethyl-phenyl)-1H-indol-3-yl]-et...)
Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2ccccc2c1CCNCCCCc1ccc(N)cc1
Show InChI InChI=1S/C28H33N3/c1-20-17-21(2)19-23(18-20)28-26(25-8-3-4-9-27(25)31-28)14-16-30-15-6-5-7-22-10-12-24(29)13-11-22/h3-4,8-13,17-19,30-31H,5-7,14-16,29H2,1-2H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat GnRH receptor binding

Bioorg Med Chem Lett 11: 1073-6 (2001)


BindingDB Entry DOI: 10.7270/Q2NS0T5M
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50099027
PNG
(CHEMBL11074 | N-[4-(4-{2-[2-(3,5-Dimethyl-phenyl)-...)
Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2ccccc2c1CCNCCCCc1ccc(NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C34H37N3O2S/c1-25-22-26(2)24-28(23-25)34-32(31-13-6-7-14-33(31)36-34)19-21-35-20-9-8-10-27-15-17-29(18-16-27)37-40(38,39)30-11-4-3-5-12-30/h3-7,11-18,22-24,35-37H,8-10,19-21H2,1-2H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat GnRH receptor binding

Bioorg Med Chem Lett 11: 1073-6 (2001)


BindingDB Entry DOI: 10.7270/Q2NS0T5M
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50099026
PNG
(CHEMBL11067 | {2-[2-(3,5-Dimethyl-phenyl)-1H-indol...)
Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2ccccc2c1CCNCCCCc1ccc(F)cc1
Show InChI InChI=1S/C28H31FN2/c1-20-17-21(2)19-23(18-20)28-26(25-8-3-4-9-27(25)31-28)14-16-30-15-6-5-7-22-10-12-24(29)13-11-22/h3-4,8-13,17-19,30-31H,5-7,14-16H2,1-2H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat GnRH receptor binding

Bioorg Med Chem Lett 11: 1073-6 (2001)


BindingDB Entry DOI: 10.7270/Q2NS0T5M
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


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


Assay Description
Inhibition of human Gonadotropin-releasing hormone receptor binding

Bioorg Med Chem Lett 11: 1073-6 (2001)


BindingDB Entry DOI: 10.7270/Q2NS0T5M
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50099018
PNG
(CHEMBL273296 | {2-[2-(3,5-Dimethyl-phenyl)-1H-indo...)
Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2ccccc2c1CCNCCCCc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C28H31N3O2/c1-20-17-21(2)19-23(18-20)28-26(25-8-3-4-9-27(25)30-28)14-16-29-15-6-5-7-22-10-12-24(13-11-22)31(32)33/h3-4,8-13,17-19,29-30H,5-7,14-16H2,1-2H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat GnRH receptor binding

Bioorg Med Chem Lett 11: 1073-6 (2001)


BindingDB Entry DOI: 10.7270/Q2NS0T5M
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%