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PubMed code 10498221

Compile data set for download or QSAR
Found 11 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)		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=1S/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)


BindingDB Entry DOI: 10.7270/Q2PN94VN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50081150
PNG
(7-Chloro-3-(3,5-dimethyl-phenyl)-6-nitro-4-((S)-2-...)
Show SMILES Cc1cc(C)cc(c1)-c1c(OCCC2CCCN2)c2cc(c(Cl)cc2[n-]c1=[OH+])[N+]([O-])=O
Show InChI InChI=1S/C23H24ClN3O4/c1-13-8-14(2)10-15(9-13)21-22(31-7-5-16-4-3-6-25-16)17-11-20(27(29)30)18(24)12-19(17)26-23(21)28/h8-12,16,25H,3-7H2,1-2H3,(H,26,28)
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n/an/a 15n/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)


BindingDB Entry DOI: 10.7270/Q2PN94VN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50217152
PNG
(CHEMBL314963)
Show SMILES [H][C@@]1(CCOc2c(c(O)nc3cc(Cl)c(cc23)[N+]([O-])=O)-c2cc(C)cc(C)c2)CCCCN1C
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)/t18-/m0/s1
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n/an/a 20n/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)


BindingDB Entry DOI: 10.7270/Q2PN94VN
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=1S/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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n/an/a 25n/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)


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

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


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=1S/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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n/an/a 36n/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)


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=1S/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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n/an/a 36n/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)


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=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 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)


BindingDB Entry DOI: 10.7270/Q2PN94VN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50081150
PNG
(7-Chloro-3-(3,5-dimethyl-phenyl)-6-nitro-4-((S)-2-...)
Show SMILES Cc1cc(C)cc(c1)-c1c(OCCC2CCCN2)c2cc(c(Cl)cc2[n-]c1=[OH+])[N+]([O-])=O
Show InChI InChI=1S/C23H24ClN3O4/c1-13-8-14(2)10-15(9-13)21-22(31-7-5-16-4-3-6-25-16)17-11-20(27(29)30)18(24)12-19(17)26-23(21)28/h8-12,16,25H,3-7H2,1-2H3,(H,26,28)
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n/an/a 100n/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)


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=1S/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)


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=1S/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)


BindingDB Entry DOI: 10.7270/Q2PN94VN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%