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PubMed code 10498220

Compile data set for download or QSAR
Found 22 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)
BDBM50081137
PNG
(7-Chloro-3-(3,5-dimethyl-phenyl)-4-[2-(1-methyl-pi...)
Show SMILES CN1CCCCC1CCOc1c(-c2cc(C)cc(C)c2)c(=[OH+])[n-]c2cc(Cl)c(cc12)[N+]([O-])=O
Show InChI InChI=1S/C25H28ClN3O4/c1-15-10-16(2)12-17(11-15)23-24(33-9-7-18-6-4-5-8-28(18)3)19-13-22(29(31)32)20(26)14-21(19)27-25(23)30/h10-14,18H,4-9H2,1-3H3,(H,27,30)
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n/an/a 32n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Buserelin to GnRH receptor in rat pituitary membranes.


Bioorg Med Chem Lett 9: 2615-20 (1999)


BindingDB Entry DOI: 10.7270/Q2TD9WK0
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50081146
PNG
(3-(3,5-Dimethyl-phenyl)-4-[2-(1-methyl-piperidin-2...)
Show SMILES CN1CCCCC1CCOc1c(-c2cc(C)cc(C)c2)c(=O)[nH]c2cc(ccc12)C(F)(F)F
Show InChI InChI=1S/C26H29F3N2O2/c1-16-12-17(2)14-18(13-16)23-24(33-11-9-20-6-4-5-10-31(20)3)21-8-7-19(26(27,28)29)15-22(21)30-25(23)32/h7-8,12-15,20H,4-6,9-11H2,1-3H3,(H,30,32)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Buserelin to GnRH receptor in rat pituitary membranes.


Bioorg Med Chem Lett 9: 2615-20 (1999)


BindingDB Entry DOI: 10.7270/Q2TD9WK0
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50081138
PNG
(7-Bromo-3-(3,5-dimethyl-phenyl)-4-[2-(1-methyl-pip...)
Show SMILES CN1CCCCC1CCOc1c(-c2cc(C)cc(C)c2)c(=O)[nH]c2cc(Br)ccc12
Show InChI InChI=1S/C25H29BrN2O2/c1-16-12-17(2)14-18(13-16)23-24(30-11-9-20-6-4-5-10-28(20)3)21-8-7-19(26)15-22(21)27-25(23)29/h7-8,12-15,20H,4-6,9-11H2,1-3H3,(H,27,29)
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n/an/a 150n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Buserelin to GnRH receptor in rat pituitary membranes.


Bioorg Med Chem Lett 9: 2615-20 (1999)


BindingDB Entry DOI: 10.7270/Q2TD9WK0
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50081133
PNG
(7-Chloro-3-(3,5-dimethyl-phenyl)-4-[2-(1-methyl-py...)
Show SMILES CN1CCCC1CCOc1c(-c2cc(C)cc(C)c2)c(=O)[nH]c2cc(Cl)ccc12
Show InChI InChI=1S/C24H27ClN2O2/c1-15-11-16(2)13-17(12-15)22-23(29-10-8-19-5-4-9-27(19)3)20-7-6-18(25)14-21(20)26-24(22)28/h6-7,11-14,19H,4-5,8-10H2,1-3H3,(H,26,28)
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n/an/a 200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Buserelin to GnRH receptor in rat pituitary membranes.


Bioorg Med Chem Lett 9: 2615-20 (1999)


BindingDB Entry DOI: 10.7270/Q2TD9WK0
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50081142
PNG
(7-Chloro-3-(3,5-dimethyl-phenyl)-4-[2-(1-methyl-pi...)
Show SMILES CN1CCCCC1CCOc1c(-c2cc(C)cc(C)c2)c(=O)[nH]c2cc(Cl)ccc12
Show InChI InChI=1S/C25H29ClN2O2/c1-16-12-17(2)14-18(13-16)23-24(30-11-9-20-6-4-5-10-28(20)3)21-8-7-19(26)15-22(21)27-25(23)29/h7-8,12-15,20H,4-6,9-11H2,1-3H3,(H,27,29)
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n/an/a 200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Buserelin to GnRH receptor in rat pituitary membranes.


Bioorg Med Chem Lett 9: 2615-20 (1999)


BindingDB Entry DOI: 10.7270/Q2TD9WK0
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50081134
PNG
(7-Chloro-3-(3,5-dimethyl-phenyl)-4-(1-methyl-azepa...)
Show SMILES CN1CCCC(CC1)Oc1c(-c2cc(C)cc(C)c2)c(=O)[nH]c2cc(Cl)ccc12
Show InChI InChI=1S/C24H27ClN2O2/c1-15-11-16(2)13-17(12-15)22-23(29-19-5-4-9-27(3)10-8-19)20-7-6-18(25)14-21(20)26-24(22)28/h6-7,11-14,19H,4-5,8-10H2,1-3H3,(H,26,28)
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n/an/a 300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Buserelin to GnRH receptor in rat pituitary membranes.


Bioorg Med Chem Lett 9: 2615-20 (1999)


BindingDB Entry DOI: 10.7270/Q2TD9WK0
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50081135
PNG
(7-Chloro-3-(3,5-dimethyl-phenyl)-4-(1-methyl-piper...)
Show SMILES CN1CCCC(COc2c(-c3cc(C)cc(C)c3)c(=O)[nH]c3cc(Cl)ccc23)C1
Show InChI InChI=1S/C24H27ClN2O2/c1-15-9-16(2)11-18(10-15)22-23(29-14-17-5-4-8-27(3)13-17)20-7-6-19(25)12-21(20)26-24(22)28/h6-7,9-12,17H,4-5,8,13-14H2,1-3H3,(H,26,28)
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n/an/a 300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Buserelin to GnRH receptor in rat pituitary membranes.


Bioorg Med Chem Lett 9: 2615-20 (1999)


BindingDB Entry DOI: 10.7270/Q2TD9WK0
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50081139
PNG
(7-Chloro-3-(3,5-dimethyl-phenyl)-4-(piperidin-3-yl...)
Show SMILES Cc1cc(C)cc(c1)-c1c(OCC2CCCNC2)c2ccc(Cl)cc2[nH]c1=O
Show InChI InChI=1S/C23H25ClN2O2/c1-14-8-15(2)10-17(9-14)21-22(28-13-16-4-3-7-25-12-16)19-6-5-18(24)11-20(19)26-23(21)27/h5-6,8-11,16,25H,3-4,7,12-13H2,1-2H3,(H,26,27)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Buserelin to GnRH receptor in rat pituitary membranes.


Bioorg Med Chem Lett 9: 2615-20 (1999)


BindingDB Entry DOI: 10.7270/Q2TD9WK0
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50081127
PNG
(7-Chloro-3-(3,5-dimethyl-phenyl)-4-(1-methyl-pyrro...)
Show SMILES CN1CCC(COc2c(-c3cc(C)cc(C)c3)c(=O)[nH]c3cc(Cl)ccc23)C1
Show InChI InChI=1S/C23H25ClN2O2/c1-14-8-15(2)10-17(9-14)21-22(28-13-16-6-7-26(3)12-16)19-5-4-18(24)11-20(19)25-23(21)27/h4-5,8-11,16H,6-7,12-13H2,1-3H3,(H,25,27)
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n/an/a 500n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Buserelin to GnRH receptor in rat pituitary membranes.


Bioorg Med Chem Lett 9: 2615-20 (1999)


BindingDB Entry DOI: 10.7270/Q2TD9WK0
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50081143
PNG
(7-Chloro-3-(3,5-dimethyl-phenyl)-4-(1-methyl-azepa...)
Show SMILES CN1CCCCC(COc2c(-c3cc(C)cc(C)c3)c(=O)[nH]c3cc(Cl)ccc23)C1
Show InChI InChI=1S/C25H29ClN2O2/c1-16-10-17(2)12-19(11-16)23-24(30-15-18-6-4-5-9-28(3)14-18)21-8-7-20(26)13-22(21)27-25(23)29/h7-8,10-13,18H,4-6,9,14-15H2,1-3H3,(H,27,29)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Buserelin to GnRH receptor in rat pituitary membranes.


Bioorg Med Chem Lett 9: 2615-20 (1999)


BindingDB Entry DOI: 10.7270/Q2TD9WK0
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50081141
PNG
(7-Chloro-3-(3,5-dimethyl-phenyl)-4-(1-methyl-piper...)
Show SMILES CN1CCC(CC1)Oc1c(-c2cc(C)cc(C)c2)c(=O)[nH]c2cc(Cl)ccc12
Show InChI InChI=1S/C23H25ClN2O2/c1-14-10-15(2)12-16(11-14)21-22(28-18-6-8-26(3)9-7-18)19-5-4-17(24)13-20(19)25-23(21)27/h4-5,10-13,18H,6-9H2,1-3H3,(H,25,27)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Buserelin to GnRH receptor in rat pituitary membranes.


Bioorg Med Chem Lett 9: 2615-20 (1999)


BindingDB Entry DOI: 10.7270/Q2TD9WK0
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50081129
PNG
(3-(3,5-Dimethyl-phenyl)-4-(1-methyl-piperidin-3-yl...)
Show SMILES CN1CCCC(COc2c(-c3cc(C)cc(C)c3)c(=O)[nH]c3cc(ccc23)[N+]([O-])=O)C1
Show InChI InChI=1S/C24H27N3O4/c1-15-9-16(2)11-18(10-15)22-23(31-14-17-5-4-8-26(3)13-17)20-7-6-19(27(29)30)12-21(20)25-24(22)28/h6-7,9-12,17H,4-5,8,13-14H2,1-3H3,(H,25,28)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Buserelin to GnRH receptor in rat pituitary membranes.


Bioorg Med Chem Lett 9: 2615-20 (1999)


BindingDB Entry DOI: 10.7270/Q2TD9WK0
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50081140
PNG
(7-Chloro-3-(3,5-dimethyl-phenyl)-4-(4-methyl-morph...)
Show SMILES CN1CCOC(COc2c(-c3cc(C)cc(C)c3)c(=O)[nH]c3cc(Cl)ccc23)C1
Show InChI InChI=1S/C23H25ClN2O3/c1-14-8-15(2)10-16(9-14)21-22(29-13-18-12-26(3)6-7-28-18)19-5-4-17(24)11-20(19)25-23(21)27/h4-5,8-11,18H,6-7,12-13H2,1-3H3,(H,25,27)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Buserelin to GnRH receptor in rat pituitary membranes.


Bioorg Med Chem Lett 9: 2615-20 (1999)


BindingDB Entry DOI: 10.7270/Q2TD9WK0
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50081144
PNG
(3-(3,5-Dimethyl-phenyl)-7-methyl-4-(1-methyl-piper...)
Show SMILES CN1CCCC(COc2c(-c3cc(C)cc(C)c3)c(=O)[nH]c3cc(C)ccc23)C1
Show InChI InChI=1S/C25H30N2O2/c1-16-7-8-21-22(13-16)26-25(28)23(20-11-17(2)10-18(3)12-20)24(21)29-15-19-6-5-9-27(4)14-19/h7-8,10-13,19H,5-6,9,14-15H2,1-4H3,(H,26,28)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Buserelin to GnRH receptor in rat pituitary membranes.


Bioorg Med Chem Lett 9: 2615-20 (1999)


BindingDB Entry DOI: 10.7270/Q2TD9WK0
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50081145
PNG
(7-Chloro-3-(3,5-dimethyl-phenyl)-4-(1-methyl-piper...)
Show SMILES CN1CCCCC1COc1c(-c2cc(C)cc(C)c2)c(=O)[nH]c2cc(Cl)ccc12
Show InChI InChI=1S/C24H27ClN2O2/c1-15-10-16(2)12-17(11-15)22-23(29-14-19-6-4-5-9-27(19)3)20-8-7-18(25)13-21(20)26-24(22)28/h7-8,10-13,19H,4-6,9,14H2,1-3H3,(H,26,28)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Buserelin to GnRH receptor in rat pituitary membranes.


Bioorg Med Chem Lett 9: 2615-20 (1999)


BindingDB Entry DOI: 10.7270/Q2TD9WK0
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50081130
PNG
(7-Chloro-4-(1-methyl-piperidin-3-ylmethoxy)-3-phen...)
Show SMILES CN1CCCC(COc2c(-c3ccccc3)c(=O)[nH]c3cc(Cl)ccc23)C1
Show InChI InChI=1S/C22H23ClN2O2/c1-25-11-5-6-15(13-25)14-27-21-18-10-9-17(23)12-19(18)24-22(26)20(21)16-7-3-2-4-8-16/h2-4,7-10,12,15H,5-6,11,13-14H2,1H3,(H,24,26)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Buserelin to GnRH receptor in rat pituitary membranes.


Bioorg Med Chem Lett 9: 2615-20 (1999)


BindingDB Entry DOI: 10.7270/Q2TD9WK0
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50081131
PNG
(7-Chloro-4-(3-dimethylamino-2-methyl-propoxy)-3-(3...)
Show SMILES CC(COc1c(-c2cc(C)cc(C)c2)c(=O)[nH]c2cc(Cl)ccc12)CN(C)C
Show InChI InChI=1S/C23H27ClN2O2/c1-14-8-15(2)10-17(9-14)21-22(28-13-16(3)12-26(4)5)19-7-6-18(24)11-20(19)25-23(21)27/h6-11,16H,12-13H2,1-5H3,(H,25,27)
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n/an/a 6.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Buserelin to GnRH receptor in rat pituitary membranes.


Bioorg Med Chem Lett 9: 2615-20 (1999)


BindingDB Entry DOI: 10.7270/Q2TD9WK0
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50081128
PNG
(7-Chloro-4-(1-methyl-azepan-3-yloxy)-3-phenyl-1H-q...)
Show SMILES CN1CCCCC(C1)Oc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12
Show InChI InChI=1S/C22H23ClN2O2/c1-25-12-6-5-9-17(14-25)27-21-18-11-10-16(23)13-19(18)24-22(26)20(21)15-7-3-2-4-8-15/h2-4,7-8,10-11,13,17H,5-6,9,12,14H2,1H3,(H,24,26)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Buserelin to GnRH receptor in rat pituitary membranes.


Bioorg Med Chem Lett 9: 2615-20 (1999)


BindingDB Entry DOI: 10.7270/Q2TD9WK0
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50081136
PNG
(7-Chloro-3-(3,5-dimethyl-phenyl)-4-(3-piperidin-1-...)
Show SMILES Cc1cc(C)cc(c1)-c1c(OCCCN2CCCCC2)c2ccc(Cl)cc2[nH]c1=O
Show InChI InChI=1S/C25H29ClN2O2/c1-17-13-18(2)15-19(14-17)23-24(30-12-6-11-28-9-4-3-5-10-28)21-8-7-20(26)16-22(21)27-25(23)29/h7-8,13-16H,3-6,9-12H2,1-2H3,(H,27,29)
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n/an/a 7.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Buserelin to GnRH receptor in rat pituitary membranes.


Bioorg Med Chem Lett 9: 2615-20 (1999)


BindingDB Entry DOI: 10.7270/Q2TD9WK0
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50081126
PNG
(7-Chloro-4-(3-dimethylamino-propoxy)-3-phenyl-1H-q...)
Show SMILES CN(C)CCCOc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12
Show InChI InChI=1S/C20H21ClN2O2/c1-23(2)11-6-12-25-19-16-10-9-15(21)13-17(16)22-20(24)18(19)14-7-4-3-5-8-14/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,22,24)
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n/an/a 9.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Buserelin to GnRH receptor in rat pituitary membranes.


Bioorg Med Chem Lett 9: 2615-20 (1999)


BindingDB Entry DOI: 10.7270/Q2TD9WK0
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50081132
PNG
(7-Chloro-4-(1-methyl-piperidin-2-ylmethoxy)-3-phen...)
Show SMILES CN1CCCCC1COc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12
Show InChI InChI=1S/C22H23ClN2O2/c1-25-12-6-5-9-17(25)14-27-21-18-11-10-16(23)13-19(18)24-22(26)20(21)15-7-3-2-4-8-15/h2-4,7-8,10-11,13,17H,5-6,9,12,14H2,1H3,(H,24,26)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 9.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Buserelin to GnRH receptor in rat pituitary membranes.


Bioorg Med Chem Lett 9: 2615-20 (1999)


BindingDB Entry DOI: 10.7270/Q2TD9WK0
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50056638
PNG
(7-Chloro-3-phenyl-4-(pyridin-2-ylmethoxy)-1H-quino...)
Show SMILES Clc1ccc2c(OCc3ccccn3)c(-c3ccccc3)c(=O)[nH]c2c1
Show InChI InChI=1S/C21H15ClN2O2/c22-15-9-10-17-18(12-15)24-21(25)19(14-6-2-1-3-7-14)20(17)26-13-16-8-4-5-11-23-16/h1-12H,13H2,(H,24,25)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Buserelin to GnRH receptor in rat pituitary membranes.


Bioorg Med Chem Lett 9: 2615-20 (1999)


BindingDB Entry DOI: 10.7270/Q2TD9WK0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%