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37 similar compounds to monomer 50081150

Compile data set for download or QSAR
Wt: 410.9
BDBM50081133
Wt: 469.9
BDBM50081137
Wt: 424.9
BDBM50081142
Wt: 427.8
BDBM50081147
Wt: 455.9
BDBM50081148
Wt: 469.9
BDBM50081151
Wt: 441.9
BDBM50081154
Wt: 469.9
BDBM50081156
Wt: 462.3
BDBM50090590
Wt: 472.8
BDBM50090591
Wt: 538.4
BDBM50090537
Wt: 480.9
BDBM50090544
Wt: 441.9
BDBM50090546
Wt: 427.8
BDBM50090557
Wt: 462.3
BDBM50090559
Displayed 1 to 15 (of 37 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50081133,50081137,50081142,50081147,50081148,50081151,50081154,50081156,50090590,50090591,50090537,50090544,50090546,50090557,50090559   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50081148
PNG
(7-Chloro-3-(3,5-dimethyl-phenyl)-6-nitro-4-((S)-2-...)
Show SMILES Cc1cc(C)cc(c1)-c1c(OCCC2CCCCN2)c2cc(c(Cl)cc2[n-]c1=[OH+])[N+]([O-])=O
Show InChI InChI=1/C24H26ClN3O4/c1-14-9-15(2)11-16(10-14)22-23(32-8-6-17-5-3-4-7-26-17)18-12-21(28(30)31)19(25)13-20(18)27-24(22)29/h9-13,17,26H,3-8H2,1-2H3,(H,27,29)
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Gonadotropin-releasing hormone receptor in rat pituitary membrane at 10 buserelin as radioligand


Bioorg Med Chem Lett 9: 2621-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00447-3
BindingDB Entry DOI: 10.7270/Q2PN94VN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50081148
PNG
(7-Chloro-3-(3,5-dimethyl-phenyl)-6-nitro-4-((S)-2-...)
Show SMILES Cc1cc(C)cc(c1)-c1c(OCCC2CCCCN2)c2cc(c(Cl)cc2[n-]c1=[OH+])[N+]([O-])=O
Show InChI InChI=1/C24H26ClN3O4/c1-14-9-15(2)11-16(10-14)22-23(32-8-6-17-5-3-4-7-26-17)18-12-21(28(30)31)19(25)13-20(18)27-24(22)29/h9-13,17,26H,3-8H2,1-2H3,(H,27,29)
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Merck

Curated by ChEMBL


Assay Description
Inhibitory concentration against binding of rat Gonadotropin-releasing hormone receptor using [125I]buserelin


Bioorg Med Chem Lett 14: 1795-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.101
BindingDB Entry DOI: 10.7270/Q2XW4J77
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=1/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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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)


Article DOI: 10.1016/s0960-894x(99)00446-1
BindingDB Entry DOI: 10.7270/Q2TD9WK0
More data for this
Ligand-Target Pair
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=1/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)


Article DOI: 10.1016/s0960-894x(99)00446-1
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=1/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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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)


Article DOI: 10.1016/s0960-894x(99)00446-1
BindingDB Entry DOI: 10.7270/Q2TD9WK0
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50081147
PNG
(4-((S)-2-Azetidin-2-yl-ethoxy)-7-chloro-3-(3,5-dim...)
Show SMILES Cc1cc(C)cc(c1)-c1c(OCCC2CCN2)c2cc(c(Cl)cc2[n-]c1=[OH+])[N+]([O-])=O
Show InChI InChI=1/C22H22ClN3O4/c1-12-7-13(2)9-14(8-12)20-21(30-6-4-15-3-5-24-15)16-10-19(26(28)29)17(23)11-18(16)25-22(20)27/h7-11,15,24H,3-6H2,1-2H3,(H,25,27)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Gonadotropin-releasing hormone receptor in rat pituitary membrane at 10 buserelin as radioligand


Bioorg Med Chem Lett 9: 2621-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00447-3
BindingDB Entry DOI: 10.7270/Q2PN94VN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50081151
PNG
(4-(2-Azepan-2-yl-ethoxy)-7-chloro-3-(3,5-dimethyl-...)
Show SMILES Cc1cc(C)cc(c1)-c1c(OCCC2CCCCCN2)c2cc(c(Cl)cc2[n-]c1=[OH+])[N+]([O-])=O
Show InChI InChI=1/C25H28ClN3O4/c1-15-10-16(2)12-17(11-15)23-24(33-9-7-18-6-4-3-5-8-27-18)19-13-22(29(31)32)20(26)14-21(19)28-25(23)30/h10-14,18,27H,3-9H2,1-2H3,(H,28,30)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Gonadotropin-releasing hormone receptor in rat pituitary membrane at 10 buserelin as radioligand


Bioorg Med Chem Lett 9: 2621-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00447-3
BindingDB Entry DOI: 10.7270/Q2PN94VN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50081154
PNG
(7-Chloro-3-(3,5-dimethyl-phenyl)-6-nitro-4-(piperi...)
Show SMILES Cc1cc(C)cc(c1)-c1c(OCC2CCCNC2)c2cc(c(Cl)cc2[n-]c1=[OH+])[N+]([O-])=O
Show InChI InChI=1/C23H24ClN3O4/c1-13-6-14(2)8-16(7-13)21-22(31-12-15-4-3-5-25-11-15)17-9-20(27(29)30)18(24)10-19(17)26-23(21)28/h6-10,15,25H,3-5,11-12H2,1-2H3,(H,26,28)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Gonadotropin-releasing hormone receptor in rat pituitary membrane at 10 buserelin as radioligand


Bioorg Med Chem Lett 9: 2621-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00447-3
BindingDB Entry DOI: 10.7270/Q2PN94VN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50081156
PNG
(7-Chloro-3-(3,5-dimethyl-phenyl)-6-nitro-4-(3-pipe...)
Show SMILES Cc1cc(C)cc(c1)-c1c(OCCCC2CCCCN2)c2cc(c(Cl)cc2[n-]c1=[OH+])[N+]([O-])=O
Show InChI InChI=1/C25H28ClN3O4/c1-15-10-16(2)12-17(11-15)23-24(33-9-5-7-18-6-3-4-8-27-18)19-13-22(29(31)32)20(26)14-21(19)28-25(23)30/h10-14,18,27H,3-9H2,1-2H3,(H,28,30)
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n/an/a 1.42E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Gonadotropin-releasing hormone receptor in rat pituitary membrane at 10 buserelin as radioligand


Bioorg Med Chem Lett 9: 2621-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00447-3
BindingDB Entry DOI: 10.7270/Q2PN94VN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50090537
PNG
(7-Chloro-3-(2-chloro-biphenyl-4-yl)-6-nitro-4-(2-p...)
Show SMILES [O-][N+](=O)c1cc2c(OCCC3CCCCN3)c(-c3ccc(c(Cl)c3)-c3ccccc3)c(=[OH+])[n-]c2cc1Cl
Show InChI InChI=1/C28H25Cl2N3O4/c29-22-14-18(9-10-20(22)17-6-2-1-3-7-17)26-27(37-13-11-19-8-4-5-12-31-19)21-15-25(33(35)36)23(30)16-24(21)32-28(26)34/h1-3,6-7,9-10,14-16,19,31H,4-5,8,11-13H2,(H,32,34)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against Gonadotropin-releasing hormone receptor (GnRHr) in rat pituitary cells


Bioorg Med Chem Lett 10: 1723-7 (2000)


Article DOI: 10.1016/s0960-894x(00)00318-8
BindingDB Entry DOI: 10.7270/Q26W99B2
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50090544
PNG
(CHEMBL298278 | {3-[7-Chloro-6-nitro-2-oxo-4-(2-pip...)
Show SMILES Cc1cc(CC#N)cc(c1)-c1c(OCCC2CCCCN2)c2cc(c(Cl)cc2[n-]c1=[OH+])[N+]([O-])=O
Show InChI InChI=1/C25H25ClN4O4/c1-15-10-16(5-7-27)12-17(11-15)23-24(34-9-6-18-4-2-3-8-28-18)19-13-22(30(32)33)20(26)14-21(19)29-25(23)31/h10-14,18,28H,2-6,8-9H2,1H3,(H,29,31)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against Gonadotropin-releasing hormone receptor (GnRHr) in rat pituitary cells


Bioorg Med Chem Lett 10: 1723-7 (2000)


Article DOI: 10.1016/s0960-894x(00)00318-8
BindingDB Entry DOI: 10.7270/Q26W99B2
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50090546
PNG
(7-Chloro-6-nitro-4-(2-piperidin-2-yl-ethoxy)-3-m-t...)
Show SMILES Cc1cccc(c1)-c1c(OCCC2CCCCN2)c2cc(c(Cl)cc2[n-]c1=[OH+])[N+]([O-])=O
Show InChI InChI=1/C23H24ClN3O4/c1-14-5-4-6-15(11-14)21-22(31-10-8-16-7-2-3-9-25-16)17-12-20(27(29)30)18(24)13-19(17)26-23(21)28/h4-6,11-13,16,25H,2-3,7-10H2,1H3,(H,26,28)
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n/an/a 27n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against Gonadotropin-releasing hormone receptor (GnRHr) in rat pituitary cells


Bioorg Med Chem Lett 10: 1723-7 (2000)


Article DOI: 10.1016/s0960-894x(00)00318-8
BindingDB Entry DOI: 10.7270/Q26W99B2
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50081148
PNG
(7-Chloro-3-(3,5-dimethyl-phenyl)-6-nitro-4-((S)-2-...)
Show SMILES Cc1cc(C)cc(c1)-c1c(OCCC2CCCCN2)c2cc(c(Cl)cc2[n-]c1=[OH+])[N+]([O-])=O
Show InChI InChI=1/C24H26ClN3O4/c1-14-9-15(2)11-16(10-14)22-23(32-8-6-17-5-3-4-7-26-17)18-12-21(28(30)31)19(25)13-20(18)27-24(22)29/h9-13,17,26H,3-8H2,1-2H3,(H,27,29)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against Gonadotropin-releasing hormone receptor (GnRHr) in rat pituitary cells


Bioorg Med Chem Lett 10: 1723-7 (2000)


Article DOI: 10.1016/s0960-894x(00)00318-8
BindingDB Entry DOI: 10.7270/Q26W99B2
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50090557
PNG
(7-Chloro-6-nitro-3-phenyl-4-(2-piperidin-2-yl-etho...)
Show SMILES [O-][N+](=O)c1cc2c(OCCC3CCCCN3)c(-c3ccccc3)c(=[OH+])[n-]c2cc1Cl
Show InChI InChI=1/C22H22ClN3O4/c23-17-13-18-16(12-19(17)26(28)29)21(30-11-9-15-8-4-5-10-24-15)20(22(27)25-18)14-6-2-1-3-7-14/h1-3,6-7,12-13,15,24H,4-5,8-11H2,(H,25,27)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against Gonadotropin-releasing hormone receptor (GnRHr) in rat pituitary cells


Bioorg Med Chem Lett 10: 1723-7 (2000)


Article DOI: 10.1016/s0960-894x(00)00318-8
BindingDB Entry DOI: 10.7270/Q26W99B2
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50090559
PNG
(7-Chloro-3-(4-chloro-phenyl)-6-nitro-4-(2-piperidi...)
Show SMILES [O-][N+](=O)c1cc2c(OCCC3CCCCN3)c(-c3ccc(Cl)cc3)c(=[OH+])[n-]c2cc1Cl
Show InChI InChI=1/C22H21Cl2N3O4/c23-14-6-4-13(5-7-14)20-21(31-10-8-15-3-1-2-9-25-15)16-11-19(27(29)30)17(24)12-18(16)26-22(20)28/h4-7,11-12,15,25H,1-3,8-10H2,(H,26,28)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against Gonadotropin-releasing hormone receptor (GnRHr) in rat pituitary cells


Bioorg Med Chem Lett 10: 1723-7 (2000)


Article DOI: 10.1016/s0960-894x(00)00318-8
BindingDB Entry DOI: 10.7270/Q26W99B2
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50090590
PNG
(7-Chloro-3-(2-chloro-phenyl)-6-nitro-4-(2-piperidi...)
Show SMILES [O-][N+](=O)c1cc2c(OCCC3CCCCN3)c(-c3ccccc3Cl)c(=[OH+])[n-]c2cc1Cl
Show InChI InChI=1/C22H21Cl2N3O4/c23-16-7-2-1-6-14(16)20-21(31-10-8-13-5-3-4-9-25-13)15-11-19(27(29)30)17(24)12-18(15)26-22(20)28/h1-2,6-7,11-13,25H,3-5,8-10H2,(H,26,28)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against Gonadotropin-releasing hormone receptor (GnRHr) in rat pituitary cells


Bioorg Med Chem Lett 10: 1723-7 (2000)


Article DOI: 10.1016/s0960-894x(00)00318-8
BindingDB Entry DOI: 10.7270/Q26W99B2
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50090591
PNG
(7-Chloro-6-nitro-3-(3-nitro-phenyl)-4-(2-piperidin...)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1c(OCCC2CCCCN2)c2cc(c(Cl)cc2[n-]c1=[OH+])[N+]([O-])=O
Show InChI InChI=1/C22H21ClN4O6/c23-17-12-18-16(11-19(17)27(31)32)21(33-9-7-14-5-1-2-8-24-14)20(22(28)25-18)13-4-3-6-15(10-13)26(29)30/h3-4,6,10-12,14,24H,1-2,5,7-9H2,(H,25,28)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against Gonadotropin-releasing hormone receptor (GnRHr) in rat pituitary cells


Bioorg Med Chem Lett 10: 1723-7 (2000)


Article DOI: 10.1016/s0960-894x(00)00318-8
BindingDB Entry DOI: 10.7270/Q26W99B2
More data for this
Ligand-Target Pair
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=1/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
Binding affinity for Gonadotropin-releasing hormone receptor in rat pituitary membrane at 10 buserelin as radioligand


Bioorg Med Chem Lett 9: 2621-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00447-3
BindingDB Entry DOI: 10.7270/Q2PN94VN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50081148
PNG
(7-Chloro-3-(3,5-dimethyl-phenyl)-6-nitro-4-((S)-2-...)
Show SMILES Cc1cc(C)cc(c1)-c1c(OCCC2CCCCN2)c2cc(c(Cl)cc2[n-]c1=[OH+])[N+]([O-])=O
Show InChI InChI=1/C24H26ClN3O4/c1-14-9-15(2)11-16(10-14)22-23(32-8-6-17-5-3-4-7-26-17)18-12-21(28(30)31)19(25)13-20(18)27-24(22)29/h9-13,17,26H,3-8H2,1-2H3,(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
Binding affinity for Gonadotropin-releasing hormone receptor in rat pituitary membrane at 10 buserelin as radioligand


Bioorg Med Chem Lett 9: 2621-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00447-3
BindingDB Entry DOI: 10.7270/Q2PN94VN
More data for this
Ligand-Target Pair
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=1/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 85n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Gonadotropin-releasing hormone receptor in rat pituitary membrane at 10 buserelin as radioligand


Bioorg Med Chem Lett 9: 2621-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00447-3
BindingDB Entry DOI: 10.7270/Q2PN94VN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50081148
PNG
(7-Chloro-3-(3,5-dimethyl-phenyl)-6-nitro-4-((S)-2-...)
Show SMILES Cc1cc(C)cc(c1)-c1c(OCCC2CCCCN2)c2cc(c(Cl)cc2[n-]c1=[OH+])[N+]([O-])=O
Show InChI InChI=1/C24H26ClN3O4/c1-14-9-15(2)11-16(10-14)22-23(32-8-6-17-5-3-4-7-26-17)18-12-21(28(30)31)19(25)13-20(18)27-24(22)29/h9-13,17,26H,3-8H2,1-2H3,(H,27,29)
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n/an/a 10n/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibitory concentration against binding of rat Gonadotropin-releasing hormone receptor using [125-I]buserelin


Bioorg Med Chem Lett 14: 1795-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.101
BindingDB Entry DOI: 10.7270/Q2XW4J77
More data for this
Ligand-Target Pair