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49 similar compounds to monomer 50235385

Compile data set for download or QSAR
Wt: 661.6
BDBM50115993
Wt: 642.6
BDBM50115988
Wt: 644.6
BDBM50115989
Wt: 627.6
BDBM50115990
Wt: 601.7
BDBM50116214
Wt: 611.6
BDBM50115991
Wt: 651.6
BDBM50115994
Wt: 619.7
BDBM50116217
Wt: 641.7
BDBM50116218
Wt: 665.7
BDBM50116220
Wt: 624.7
BDBM50116221
Wt: 666.7
BDBM50116222
Wt: 630.6
BDBM50115995
Wt: 667.7
BDBM50115996
Wt: 613.6
BDBM50115997
Displayed 1 to 15 (of 49 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50115993,50115988,50115989,50115990,50116214,50115991,50115994,50116217,50116218,50116220,50116221,50116222,50115995,50115996,50115997   
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 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50116222
PNG
(2-(4-Butyrylamino-phenyl)-8-(2-fluoro-benzyl)-3-{[...)
Show SMILES CCCC(=O)Nc1ccc(cc1)-c1nc2n(Cc3ccccc3F)cc(C(=O)OC(CC)CC)c(=O)n2c1CN(C)CCc1ccccn1
Show InChI InChI=1S/C38H43FN6O4/c1-5-12-34(46)41-29-18-16-26(17-19-29)35-33(25-43(4)22-20-28-14-10-11-21-40-28)45-36(47)31(37(48)49-30(6-2)7-3)24-44(38(45)42-35)23-27-13-8-9-15-32(27)39/h8-11,13-19,21,24,30H,5-7,12,20,22-23,25H2,1-4H3,(H,41,46)
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7.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit [I125-Tyr5,DLeu6,NMeLeu7,Pro9-NEt]GnRH agonist binding to the cloned human Gonadotropin-releasing hormone receptor was evaluated


Bioorg Med Chem Lett 12: 2179-83 (2002)


Article DOI: 10.1016/s0960-894x(02)00370-0
BindingDB Entry DOI: 10.7270/Q28S4P8D
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50116222
PNG
(2-(4-Butyrylamino-phenyl)-8-(2-fluoro-benzyl)-3-{[...)
Show SMILES CCCC(=O)Nc1ccc(cc1)-c1nc2n(Cc3ccccc3F)cc(C(=O)OC(CC)CC)c(=O)n2c1CN(C)CCc1ccccn1
Show InChI InChI=1S/C38H43FN6O4/c1-5-12-34(46)41-29-18-16-26(17-19-29)35-33(25-43(4)22-20-28-14-10-11-21-40-28)45-36(47)31(37(48)49-30(6-2)7-3)24-44(38(45)42-35)23-27-13-8-9-15-32(27)39/h8-11,13-19,21,24,30H,5-7,12,20,22-23,25H2,1-4H3,(H,41,46)
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7.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding evaluated in cloned human Gonadotropin-releasing hormone receptor by displacement of [125 I-Tyr, DLeu, NMeLeu, Pro-NEt]GnRH agonist


Bioorg Med Chem Lett 12: 2185-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00371-2
BindingDB Entry DOI: 10.7270/Q2513XJ0
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50116222
PNG
(2-(4-Butyrylamino-phenyl)-8-(2-fluoro-benzyl)-3-{[...)
Show SMILES CCCC(=O)Nc1ccc(cc1)-c1nc2n(Cc3ccccc3F)cc(C(=O)OC(CC)CC)c(=O)n2c1CN(C)CCc1ccccn1
Show InChI InChI=1S/C38H43FN6O4/c1-5-12-34(46)41-29-18-16-26(17-19-29)35-33(25-43(4)22-20-28-14-10-11-21-40-28)45-36(47)31(37(48)49-30(6-2)7-3)24-44(38(45)42-35)23-27-13-8-9-15-32(27)39/h8-11,13-19,21,24,30H,5-7,12,20,22-23,25H2,1-4H3,(H,41,46)
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7.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc

Curated by ChEMBL


Assay Description
Binding affinity at human GnRH receptor


J Med Chem 51: 3331-48 (2008)


Article DOI: 10.1021/jm701249f
BindingDB Entry DOI: 10.7270/Q2KD1XQ0
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50116221
PNG
(2-(4-Butyrylamino-phenyl)-8-(2-fluoro-benzyl)-3-{[...)
Show SMILES CCCC(=O)Nc1ccc(cc1)-c1nc2n(Cc3ccccc3F)cc(C(=O)OCC)c(=O)n2c1CN(C)CCc1ccccn1
Show InChI InChI=1S/C35H37FN6O4/c1-4-10-31(43)38-27-16-14-24(15-17-27)32-30(23-40(3)20-18-26-12-8-9-19-37-26)42-33(44)28(34(45)46-5-2)22-41(35(42)39-32)21-25-11-6-7-13-29(25)36/h6-9,11-17,19,22H,4-5,10,18,20-21,23H2,1-3H3,(H,38,43)
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12n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit [I125-Tyr5,DLeu6,NMeLeu7,Pro9-NEt]GnRH agonist binding to the cloned human Gonadotropin-releasing hormone receptor was evaluated


Bioorg Med Chem Lett 12: 2179-83 (2002)


Article DOI: 10.1016/s0960-894x(02)00370-0
BindingDB Entry DOI: 10.7270/Q28S4P8D
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50116220
PNG
(2-(4-Butyrylamino-phenyl)-8-(2-fluoro-benzyl)-3-[(...)
Show SMILES CCCC(=O)Nc1ccc(cc1)-c1nc2n(Cc3ccccc3F)cc(C(=O)OC(CC)CC)c(=O)n2c1CN(C)CCc1ccccc1
Show InChI InChI=1S/C39H44FN5O4/c1-5-13-35(46)41-30-20-18-28(19-21-30)36-34(26-43(4)23-22-27-14-9-8-10-15-27)45-37(47)32(38(48)49-31(6-2)7-3)25-44(39(45)42-36)24-29-16-11-12-17-33(29)40/h8-12,14-21,25,31H,5-7,13,22-24,26H2,1-4H3,(H,41,46)
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14n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit [I125-Tyr5,DLeu6,NMeLeu7,Pro9-NEt]GnRH agonist binding to the cloned human Gonadotropin-releasing hormone receptor was evaluated


Bioorg Med Chem Lett 12: 2179-83 (2002)


Article DOI: 10.1016/s0960-894x(02)00370-0
BindingDB Entry DOI: 10.7270/Q28S4P8D
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50116218
PNG
(2-(4-Butyrylamino-phenyl)-8-(2-fluoro-benzyl)-3-[(...)
Show SMILES CCCC(=O)Nc1ccc(cc1)-c1nc2n(Cc3ccccc3F)cc(C(=O)OC(CC)CC)c(=O)n2c1CN(C)Cc1ccco1
Show InChI InChI=1S/C36H40FN5O5/c1-5-11-32(43)38-26-17-15-24(16-18-26)33-31(23-40(4)21-28-13-10-19-46-28)42-34(44)29(35(45)47-27(6-2)7-3)22-41(36(42)39-33)20-25-12-8-9-14-30(25)37/h8-10,12-19,22,27H,5-7,11,20-21,23H2,1-4H3,(H,38,43)
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29n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit [I125-Tyr5,DLeu6,NMeLeu7,Pro9-NEt]GnRH agonist binding to the cloned human Gonadotropin-releasing hormone receptor was evaluated


Bioorg Med Chem Lett 12: 2179-83 (2002)


Article DOI: 10.1016/s0960-894x(02)00370-0
BindingDB Entry DOI: 10.7270/Q28S4P8D
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50116217
PNG
(2-(4-Butyrylamino-phenyl)-8-(2-fluoro-benzyl)-3-{[...)
Show SMILES CCCC(=O)Nc1ccc(cc1)-c1nc2n(Cc3ccccc3F)cc(C(=O)OC(CC)CC)c(=O)n2c1CN(C)CCOC
Show InChI InChI=1S/C34H42FN5O5/c1-6-11-30(41)36-25-16-14-23(15-17-25)31-29(22-38(4)18-19-44-5)40-32(42)27(33(43)45-26(7-2)8-3)21-39(34(40)37-31)20-24-12-9-10-13-28(24)35/h9-10,12-17,21,26H,6-8,11,18-20,22H2,1-5H3,(H,36,41)
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36n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit [I125-Tyr5,DLeu6,NMeLeu7,Pro9-NEt]GnRH agonist binding to the cloned human Gonadotropin-releasing hormone receptor was evaluated


Bioorg Med Chem Lett 12: 2179-83 (2002)


Article DOI: 10.1016/s0960-894x(02)00370-0
BindingDB Entry DOI: 10.7270/Q28S4P8D
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50116214
PNG
(2-(4-Butyrylamino-phenyl)-8-(2-fluoro-benzyl)-5-ox...)
Show SMILES CCCC(=O)Nc1ccc(cc1)-c1nc2n(Cc3ccccc3F)cc(C(=O)OC(CC)CC)c(=O)n2c1CN1CCCC1
Show InChI InChI=1S/C34H40FN5O4/c1-4-11-30(41)36-25-16-14-23(15-17-25)31-29(22-38-18-9-10-19-38)40-32(42)27(33(43)44-26(5-2)6-3)21-39(34(40)37-31)20-24-12-7-8-13-28(24)35/h7-8,12-17,21,26H,4-6,9-11,18-20,22H2,1-3H3,(H,36,41)
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2.20E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit [I125-Tyr5,DLeu6,NMeLeu7,Pro9-NEt]GnRH agonist binding to the cloned human Gonadotropin-releasing hormone receptor was evaluated


Bioorg Med Chem Lett 12: 2179-83 (2002)


Article DOI: 10.1016/s0960-894x(02)00370-0
BindingDB Entry DOI: 10.7270/Q28S4P8D
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50115991
PNG
(2-(4-Acryloylamino-phenyl)-3-[(benzyl-methyl-amino...)
Show SMILES CCOC(=O)c1cn(Cc2c(F)cccc2F)c2nc(c(CN(C)Cc3ccccc3)n2c1=O)-c1ccc(NC(=O)C=C)cc1
Show InChI InChI=1S/C34H31F2N5O4/c1-4-30(42)37-24-16-14-23(15-17-24)31-29(21-39(3)18-22-10-7-6-8-11-22)41-32(43)26(33(44)45-5-2)20-40(34(41)38-31)19-25-27(35)12-9-13-28(25)36/h4,6-17,20H,1,5,18-19,21H2,2-3H3,(H,37,42)
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n/an/a 3n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of specific [125I]-leuprorelin binding to the cloned human LHRH receptor expressed in chinese hamster ovary cells


Bioorg Med Chem Lett 12: 2073-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00372-4
BindingDB Entry DOI: 10.7270/Q2FJ2G32
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50115990
PNG
(3-[(Benzyl-methyl-amino)-methyl]-2-(4-butyrylamino...)
Show SMILES CCOC(=O)c1cn(Cc2c(F)cccc2F)c2nc(c(CN(C)Cc3ccccc3)n2c1=O)-c1ccc(NC(=O)C(C)C)cc1
Show InChI InChI=1S/C35H35F2N5O4/c1-5-46-34(45)27-20-41(19-26-28(36)12-9-13-29(26)37)35-39-31(24-14-16-25(17-15-24)38-32(43)22(2)3)30(42(35)33(27)44)21-40(4)18-23-10-7-6-8-11-23/h6-17,20,22H,5,18-19,21H2,1-4H3,(H,38,43)
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n/an/a 30n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of specific [125I]-leuprorelin binding to the cloned human LHRH receptor expressed in chinese hamster ovary cells


Bioorg Med Chem Lett 12: 2073-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00372-4
BindingDB Entry DOI: 10.7270/Q2FJ2G32
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50115993
PNG
(2-(4-Benzoylamino-phenyl)-3-[(benzyl-methyl-amino)...)
Show SMILES CCOC(=O)c1cn(Cc2c(F)cccc2F)c2nc(c(CN(C)Cc3ccccc3)n2c1=O)-c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C38H33F2N5O4/c1-3-49-37(48)30-23-44(22-29-31(39)15-10-16-32(29)40)38-42-34(26-17-19-28(20-18-26)41-35(46)27-13-8-5-9-14-27)33(45(38)36(30)47)24-43(2)21-25-11-6-4-7-12-25/h4-20,23H,3,21-22,24H2,1-2H3,(H,41,46)
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n/an/a 20n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of specific [125I]-leuprorelin binding to the cloned human LHRH receptor expressed in chinese hamster ovary cells


Bioorg Med Chem Lett 12: 2073-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00372-4
BindingDB Entry DOI: 10.7270/Q2FJ2G32
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50115994
PNG
(3-[(Benzyl-methyl-amino)-methyl]-8-(2,6-difluoro-b...)
Show SMILES CCOC(=O)c1cn(Cc2c(F)cccc2F)c2nc(c(CN(C)Cc3ccccc3)n2c1=O)-c1ccc(NC(=O)c2ccoc2)cc1
Show InChI InChI=1S/C36H31F2N5O5/c1-3-48-35(46)28-20-42(19-27-29(37)10-7-11-30(27)38)36-40-32(24-12-14-26(15-13-24)39-33(44)25-16-17-47-22-25)31(43(36)34(28)45)21-41(2)18-23-8-5-4-6-9-23/h4-17,20,22H,3,18-19,21H2,1-2H3,(H,39,44)
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n/an/a 3n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of specific [125I]-leuprorelin binding to the cloned human LHRH receptor expressed in chinese hamster ovary cells


Bioorg Med Chem Lett 12: 2073-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00372-4
BindingDB Entry DOI: 10.7270/Q2FJ2G32
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50115989
PNG
(3-[(Benzyl-methyl-amino)-methyl]-8-(2,6-difluoro-b...)
Show SMILES CONC(=O)Nc1ccc(cc1)-c1nc2n(Cc3c(F)cccc3F)cc(C(=O)OC(C)C)c(=O)n2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C34H34F2N6O5/c1-21(2)47-32(44)26-19-41(18-25-27(35)11-8-12-28(25)36)34-38-30(23-13-15-24(16-14-23)37-33(45)39-46-4)29(42(34)31(26)43)20-40(3)17-22-9-6-5-7-10-22/h5-16,19,21H,17-18,20H2,1-4H3,(H2,37,39,45)
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n/an/a 0.400n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of specific [125I]-leuprorelin binding to the cloned human LHRH receptor expressed in chinese hamster ovary cells


Bioorg Med Chem Lett 12: 2073-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00372-4
BindingDB Entry DOI: 10.7270/Q2FJ2G32
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50115996
PNG
(3-[(Benzyl-methyl-amino)-methyl]-8-(2,6-difluoro-b...)
Show SMILES CCOC(=O)c1cn(Cc2c(F)cccc2F)c2nc(c(CN(C)Cc3ccccc3)n2c1=O)-c1ccc(NC(=O)c2ccsc2)cc1
Show InChI InChI=1S/C36H31F2N5O4S/c1-3-47-35(46)28-20-42(19-27-29(37)10-7-11-30(27)38)36-40-32(24-12-14-26(15-13-24)39-33(44)25-16-17-48-22-25)31(43(36)34(28)45)21-41(2)18-23-8-5-4-6-9-23/h4-17,20,22H,3,18-19,21H2,1-2H3,(H,39,44)
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n/an/a 7n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of specific [125I]-leuprorelin binding to the cloned human LHRH receptor expressed in chinese hamster ovary cells


Bioorg Med Chem Lett 12: 2073-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00372-4
BindingDB Entry DOI: 10.7270/Q2FJ2G32
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50115997
PNG
(3-[(Benzyl-methyl-amino)-methyl]-8-(2,6-difluoro-b...)
Show SMILES CCOC(=O)c1cn(Cc2c(F)cccc2F)c2nc(c(CN(C)Cc3ccccc3)n2c1=O)-c1ccc(NC(=O)CC)cc1
Show InChI InChI=1S/C34H33F2N5O4/c1-4-30(42)37-24-16-14-23(15-17-24)31-29(21-39(3)18-22-10-7-6-8-11-22)41-32(43)26(33(44)45-5-2)20-40(34(41)38-31)19-25-27(35)12-9-13-28(25)36/h6-17,20H,4-5,18-19,21H2,1-3H3,(H,37,42)
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n/an/a 10n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of specific [125I]-leuprorelin binding to the cloned human LHRH receptor expressed in chinese hamster ovary cells


Bioorg Med Chem Lett 12: 2073-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00372-4
BindingDB Entry DOI: 10.7270/Q2FJ2G32
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50115988
PNG
(3-[(Benzyl-methyl-amino)-methyl]-8-(2,6-difluoro-b...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2n(Cc3c(F)cccc3F)cc(C(=O)OC(C)C)c(=O)n2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C35H36F2N6O4/c1-5-38-34(46)39-25-16-14-24(15-17-25)31-30(21-41(4)18-23-10-7-6-8-11-23)43-32(44)27(33(45)47-22(2)3)20-42(35(43)40-31)19-26-28(36)12-9-13-29(26)37/h6-17,20,22H,5,18-19,21H2,1-4H3,(H2,38,39,46)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of specific [125I]-leuprorelin binding to the cloned human LHRH receptor expressed in chinese hamster ovary cells


Bioorg Med Chem Lett 12: 2073-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00372-4
BindingDB Entry DOI: 10.7270/Q2FJ2G32
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50115995
PNG
(3-[(Benzyl-methyl-amino)-methyl]-8-(2,6-difluoro-b...)
Show SMILES CCOC(=O)c1cn(Cc2c(F)cccc2F)c2nc(c(CN(C)Cc3ccccc3)n2c1=O)-c1ccc(NC(=O)NOC)cc1
Show InChI InChI=1S/C33H32F2N6O5/c1-4-46-31(43)25-19-40(18-24-26(34)11-8-12-27(24)35)33-37-29(22-13-15-23(16-14-22)36-32(44)38-45-3)28(41(33)30(25)42)20-39(2)17-21-9-6-5-7-10-21/h5-16,19H,4,17-18,20H2,1-3H3,(H2,36,38,44)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of specific [125I]-leuprorelin binding to the cloned human LHRH receptor expressed in chinese hamster ovary cells


Bioorg Med Chem Lett 12: 2073-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00372-4
BindingDB Entry DOI: 10.7270/Q2FJ2G32
More data for this
Ligand-Target Pair