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PubMed code 11229760

Compile data set for download or QSAR
Found 20 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)		BDBM50097034
PNG
(4-Ethanesulfonyl-piperazine-1-carboxylic acid 2-(3...)
Show SMILES CCS(=O)(=O)N1CCN(CC1)C(=O)Oc1ccc2[nH]c(c(CCNCCCCc3ccc(O)cc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C35H44N4O5S/c1-4-45(42,43)39-19-17-38(18-20-39)35(41)44-30-12-13-33-32(24-30)31(34(37-33)28-22-25(2)21-26(3)23-28)14-16-36-15-6-5-7-27-8-10-29(40)11-9-27/h8-13,21-24,36-37,40H,4-7,14-20H2,1-3H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to rat Gonadotropin-releasing hormone receptor.

Bioorg Med Chem Lett 11: 515-7 (2001)


BindingDB Entry DOI: 10.7270/Q27080PS
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50097018
PNG
(4-Methanesulfonyl-piperazine-1-carboxylic acid 2-(...)
Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2ccc(OC(=O)N3CCN(CC3)S(C)(=O)=O)cc2c1CCNCCCCc1ccc(O)cc1
Show InChI InChI=1S/C34H42N4O5S/c1-24-20-25(2)22-27(21-24)33-30(13-15-35-14-5-4-6-26-7-9-28(39)10-8-26)31-23-29(11-12-32(31)36-33)43-34(40)37-16-18-38(19-17-37)44(3,41)42/h7-12,20-23,35-36,39H,4-6,13-19H2,1-3H3
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Curated by ChEMBL


Assay Description
Binding affinity to rat Gonadotropin-releasing hormone receptor.

Bioorg Med Chem Lett 11: 515-7 (2001)


BindingDB Entry DOI: 10.7270/Q27080PS
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50097026
PNG
(4-(Propane-2-sulfonyl)-piperazine-1-carboxylic aci...)
Show SMILES CC(C)S(=O)(=O)N1CCN(CC1)C(=O)Oc1ccc2[nH]c(c(CCNCCCCc3ccc(O)cc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C36H46N4O5S/c1-25(2)46(43,44)40-19-17-39(18-20-40)36(42)45-31-12-13-34-33(24-31)32(35(38-34)29-22-26(3)21-27(4)23-29)14-16-37-15-6-5-7-28-8-10-30(41)11-9-28/h8-13,21-25,37-38,41H,5-7,14-20H2,1-4H3
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Curated by ChEMBL


Assay Description
Binding affinity to rat Gonadotropin-releasing hormone receptor.

Bioorg Med Chem Lett 11: 515-7 (2001)


BindingDB Entry DOI: 10.7270/Q27080PS
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50097022
PNG
(4-(Propane-1-sulfonyl)-piperazine-1-carboxylic aci...)
Show SMILES CCCS(=O)(=O)N1CCN(CC1)C(=O)Oc1ccc2[nH]c(c(CCNCCCCc3ccc(O)cc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C36H46N4O5S/c1-4-21-46(43,44)40-19-17-39(18-20-40)36(42)45-31-12-13-34-33(25-31)32(35(38-34)29-23-26(2)22-27(3)24-29)14-16-37-15-6-5-7-28-8-10-30(41)11-9-28/h8-13,22-25,37-38,41H,4-7,14-21H2,1-3H3
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Curated by ChEMBL


Assay Description
Binding affinity to rat Gonadotropin-releasing hormone receptor.

Bioorg Med Chem Lett 11: 515-7 (2001)


BindingDB Entry DOI: 10.7270/Q27080PS
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50097023
PNG
(4-Propionyl-piperazine-1-carboxylic acid 2-(3,5-di...)
Show SMILES CCC(=O)N1CCN(CC1)C(=O)Oc1ccc2[nH]c(c(CCNCCCCc3ccc(O)cc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C36H44N4O4/c1-4-34(42)39-17-19-40(20-18-39)36(43)44-30-12-13-33-32(24-30)31(35(38-33)28-22-25(2)21-26(3)23-28)14-16-37-15-6-5-7-27-8-10-29(41)11-9-27/h8-13,21-24,37-38,41H,4-7,14-20H2,1-3H3
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Curated by ChEMBL


Assay Description
Binding affinity to rat Gonadotropin-releasing hormone receptor.

Bioorg Med Chem Lett 11: 515-7 (2001)


BindingDB Entry DOI: 10.7270/Q27080PS
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50097019
PNG
(CHEMBL358126 | Ethyl-carbamic acid 2-(3,5-dimethyl...)
Show SMILES CCNC(=O)Oc1ccc2[nH]c(c(CCNCCCCc3ccc(O)cc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C31H37N3O3/c1-4-33-31(36)37-26-12-13-29-28(20-26)27(30(34-29)24-18-21(2)17-22(3)19-24)14-16-32-15-6-5-7-23-8-10-25(35)11-9-23/h8-13,17-20,32,34-35H,4-7,14-16H2,1-3H3,(H,33,36)
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Curated by ChEMBL


Assay Description
Binding affinity to rat Gonadotropin-releasing hormone receptor.

Bioorg Med Chem Lett 11: 515-7 (2001)


BindingDB Entry DOI: 10.7270/Q27080PS
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50097029
PNG
(CHEMBL346195 | Morpholine-4-carboxylic acid 2-(3,5...)
Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2ccc(OC(=O)N3CCOCC3)cc2c1CCNCCCCc1ccc(O)cc1
Show InChI InChI=1S/C33H39N3O4/c1-23-19-24(2)21-26(20-23)32-29(12-14-34-13-4-3-5-25-6-8-27(37)9-7-25)30-22-28(10-11-31(30)35-32)40-33(38)36-15-17-39-18-16-36/h6-11,19-22,34-35,37H,3-5,12-18H2,1-2H3
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Curated by ChEMBL


Assay Description
Binding affinity to rat Gonadotropin-releasing hormone receptor.

Bioorg Med Chem Lett 11: 515-7 (2001)


BindingDB Entry DOI: 10.7270/Q27080PS
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50097030
PNG
(4-Methyl-piperazine-1-carboxylic acid 2-(3,5-dimet...)
Show SMILES CN1CCN(CC1)C(=O)Oc1ccc2[nH]c(c(CCNCCCCc3ccc(O)cc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C34H42N4O3/c1-24-20-25(2)22-27(21-24)33-30(13-15-35-14-5-4-6-26-7-9-28(39)10-8-26)31-23-29(11-12-32(31)36-33)41-34(40)38-18-16-37(3)17-19-38/h7-12,20-23,35-36,39H,4-6,13-19H2,1-3H3
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Curated by ChEMBL


Assay Description
Binding affinity to rat Gonadotropin-releasing hormone receptor.

Bioorg Med Chem Lett 11: 515-7 (2001)


BindingDB Entry DOI: 10.7270/Q27080PS
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50097032
PNG
(4-Carbamoyl-piperazine-1-carboxylic acid 2-(3,5-di...)
Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2ccc(OC(=O)N3CCN(CC(N)=O)CC3)cc2c1CCNCCCCc1ccc(O)cc1
Show InChI InChI=1S/C35H43N5O4/c1-24-19-25(2)21-27(20-24)34-30(12-14-37-13-4-3-5-26-6-8-28(41)9-7-26)31-22-29(10-11-32(31)38-34)44-35(43)40-17-15-39(16-18-40)23-33(36)42/h6-11,19-22,37-38,41H,3-5,12-18,23H2,1-2H3,(H2,36,42)
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Curated by ChEMBL


Assay Description
Binding affinity to rat Gonadotropin-releasing hormone receptor.

Bioorg Med Chem Lett 11: 515-7 (2001)


BindingDB Entry DOI: 10.7270/Q27080PS
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50097025
PNG
(4-Butyryl-piperazine-1-carboxylic acid 2-(3,5-dime...)
Show SMILES CCCC(=O)N1CCN(CC1)C(=O)Oc1ccc2[nH]c(c(CCNCCCCc3ccc(O)cc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C37H46N4O4/c1-4-7-35(43)40-18-20-41(21-19-40)37(44)45-31-13-14-34-33(25-31)32(36(39-34)29-23-26(2)22-27(3)24-29)15-17-38-16-6-5-8-28-9-11-30(42)12-10-28/h9-14,22-25,38-39,42H,4-8,15-21H2,1-3H3
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Curated by ChEMBL


Assay Description
Binding affinity to rat Gonadotropin-releasing hormone receptor.

Bioorg Med Chem Lett 11: 515-7 (2001)


BindingDB Entry DOI: 10.7270/Q27080PS
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50097031
PNG
(4-Acetyl-piperazine-1-carboxylic acid 2-(3,5-dimet...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)Oc1ccc2[nH]c(c(CCNCCCCc3ccc(O)cc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C35H42N4O4/c1-24-20-25(2)22-28(21-24)34-31(13-15-36-14-5-4-6-27-7-9-29(41)10-8-27)32-23-30(11-12-33(32)37-34)43-35(42)39-18-16-38(17-19-39)26(3)40/h7-12,20-23,36-37,41H,4-6,13-19H2,1-3H3
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Curated by ChEMBL


Assay Description
Binding affinity to rat Gonadotropin-releasing hormone receptor.

Bioorg Med Chem Lett 11: 515-7 (2001)


BindingDB Entry DOI: 10.7270/Q27080PS
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50097021
PNG
(CHEMBL538660 | Propyl-carbamic acid 2-(3,5-dimethy...)
Show SMILES CCCNC(=O)Oc1ccc2[nH]c(c(CCNCCCCc3ccc(O)cc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C32H39N3O3/c1-4-15-34-32(37)38-27-12-13-30-29(21-27)28(31(35-30)25-19-22(2)18-23(3)20-25)14-17-33-16-6-5-7-24-8-10-26(36)11-9-24/h8-13,18-21,33,35-36H,4-7,14-17H2,1-3H3,(H,34,37)
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Curated by ChEMBL


Assay Description
Binding affinity to rat Gonadotropin-releasing hormone receptor.

Bioorg Med Chem Lett 11: 515-7 (2001)


BindingDB Entry DOI: 10.7270/Q27080PS
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50097036
PNG
(CHEMBL46268 | Dimethyl-carbamic acid 2-(3,5-dimeth...)
Show SMILES CN(C)C(=O)Oc1ccc2[nH]c(c(CCNCCCCc3ccc(O)cc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C31H37N3O3/c1-21-17-22(2)19-24(18-21)30-27(14-16-32-15-6-5-7-23-8-10-25(35)11-9-23)28-20-26(12-13-29(28)33-30)37-31(36)34(3)4/h8-13,17-20,32-33,35H,5-7,14-16H2,1-4H3
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Curated by ChEMBL


Assay Description
Binding affinity to rat Gonadotropin-releasing hormone receptor.

Bioorg Med Chem Lett 11: 515-7 (2001)


BindingDB Entry DOI: 10.7270/Q27080PS
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50097035
PNG
(CHEMBL149992 | Methyl-carbamic acid 2-(3,5-dimethy...)
Show SMILES CNC(=O)Oc1ccc2[nH]c(c(CCNCCCCc3ccc(O)cc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C30H35N3O3/c1-20-16-21(2)18-23(17-20)29-26(27-19-25(36-30(35)31-3)11-12-28(27)33-29)13-15-32-14-5-4-6-22-7-9-24(34)10-8-22/h7-12,16-19,32-34H,4-6,13-15H2,1-3H3,(H,31,35)
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Curated by ChEMBL


Assay Description
Binding affinity to rat Gonadotropin-releasing hormone receptor.

Bioorg Med Chem Lett 11: 515-7 (2001)


BindingDB Entry DOI: 10.7270/Q27080PS
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50097020
PNG
(CHEMBL149881 | Piperidine-1-carboxylic acid 2-(3,5...)
Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2ccc(OC(=O)N3CCCCC3)cc2c1CCNCCCCc1ccc(O)cc1
Show InChI InChI=1S/C34H41N3O3/c1-24-20-25(2)22-27(21-24)33-30(15-17-35-16-5-4-8-26-9-11-28(38)12-10-26)31-23-29(13-14-32(31)36-33)40-34(39)37-18-6-3-7-19-37/h9-14,20-23,35-36,38H,3-8,15-19H2,1-2H3
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Curated by ChEMBL


Assay Description
Binding affinity to rat Gonadotropin-releasing hormone receptor.

Bioorg Med Chem Lett 11: 515-7 (2001)


BindingDB Entry DOI: 10.7270/Q27080PS
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50097027
PNG
(CHEMBL149181 | Piperazine-1,4-dicarboxylic acid 2-...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)Oc1ccc2[nH]c(c(CCNCCCCc3ccc(O)cc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C36H44N4O5/c1-4-44-35(42)39-17-19-40(20-18-39)36(43)45-30-12-13-33-32(24-30)31(34(38-33)28-22-25(2)21-26(3)23-28)14-16-37-15-6-5-7-27-8-10-29(41)11-9-27/h8-13,21-24,37-38,41H,4-7,14-20H2,1-3H3
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Assay Description
Binding affinity to rat Gonadotropin-releasing hormone receptor.

Bioorg Med Chem Lett 11: 515-7 (2001)


BindingDB Entry DOI: 10.7270/Q27080PS
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50097024
PNG
(4-(4-{2-[2-(3,5-Dimethyl-phenyl)-5-methoxy-1H-indo...)
Show SMILES COc1ccc2[nH]c(c(CCNCCCCc3ccc(O)cc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C29H34N2O2/c1-20-16-21(2)18-23(17-20)29-26(27-19-25(33-3)11-12-28(27)31-29)13-15-30-14-5-4-6-22-7-9-24(32)10-8-22/h7-12,16-19,30-32H,4-6,13-15H2,1-3H3
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Assay Description
Binding affinity to rat Gonadotropin-releasing hormone receptor.

Bioorg Med Chem Lett 11: 515-7 (2001)


BindingDB Entry DOI: 10.7270/Q27080PS
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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Assay Description
Binding affinity to rat Gonadotropin-releasing hormone receptor.

Bioorg Med Chem Lett 11: 515-7 (2001)


BindingDB Entry DOI: 10.7270/Q27080PS
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50097033
PNG
(4-(4-{2-[5-Benzyloxy-2-(3,5-dimethyl-phenyl)-1H-in...)
Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2ccc(OCc3ccccc3)cc2c1CCNCCCCc1ccc(O)cc1
Show InChI InChI=1S/C35H38N2O2/c1-25-20-26(2)22-29(21-25)35-32(17-19-36-18-7-6-8-27-11-13-30(38)14-12-27)33-23-31(15-16-34(33)37-35)39-24-28-9-4-3-5-10-28/h3-5,9-16,20-23,36-38H,6-8,17-19,24H2,1-2H3
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Assay Description
Binding affinity to rat Gonadotropin-releasing hormone receptor.

Bioorg Med Chem Lett 11: 515-7 (2001)


BindingDB Entry DOI: 10.7270/Q27080PS
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50097028
PNG
(CHEMBL358901 | Piperazine-1-carboxylic acid 2-(3,5...)
Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2ccc(OC(=O)N3CCNCC3)cc2c1CCNCCCCc1ccc(O)cc1
Show InChI InChI=1S/C33H40N4O3/c1-23-19-24(2)21-26(20-23)32-29(12-14-34-13-4-3-5-25-6-8-27(38)9-7-25)30-22-28(10-11-31(30)36-32)40-33(39)37-17-15-35-16-18-37/h6-11,19-22,34-36,38H,3-5,12-18H2,1-2H3
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UniChem

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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to rat Gonadotropin-releasing hormone receptor.

Bioorg Med Chem Lett 11: 515-7 (2001)


BindingDB Entry DOI: 10.7270/Q27080PS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%