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SMILES: COc1c(C)cc(cc1C)-c1[nH]c2ccc(cc2c1[C@H](C)CNCCc1ccccc1)C(C)(C)C(=O)N(CC(C)C)CC(C)C

InChI Key: InChIKey=CXPNKNXEHYPKJI-SSEXGKCCSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 71 hits for monomerid = 50180787   
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


(Homo sapiens (Human))
BDBM50180787
PNG
((S)-N,N-diisobutyl-2-(2-(4-methoxy-3,5-dimethylphe...)
Show SMILES COc1c(C)cc(cc1C)-c1[nH]c2ccc(cc2c1[C@H](C)CNCCc1ccccc1)C(C)(C)C(=O)N(CC(C)C)CC(C)C
Show InChI InChI=1S/C40H55N3O2/c1-26(2)24-43(25-27(3)4)39(44)40(8,9)33-16-17-35-34(22-33)36(30(7)23-41-19-18-31-14-12-11-13-15-31)37(42-35)32-20-28(5)38(45-10)29(6)21-32/h11-17,20-22,26-27,30,41-42H,18-19,23-25H2,1-10H3/t30-/m1/s1
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n/an/a 3.70n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR N305K


J Med Chem 49: 637-47 (2006)


Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50180787
PNG
((S)-N,N-diisobutyl-2-(2-(4-methoxy-3,5-dimethylphe...)
Show SMILES COc1c(C)cc(cc1C)-c1[nH]c2ccc(cc2c1[C@H](C)CNCCc1ccccc1)C(C)(C)C(=O)N(CC(C)C)CC(C)C
Show InChI InChI=1S/C40H55N3O2/c1-26(2)24-43(25-27(3)4)39(44)40(8,9)33-16-17-35-34(22-33)36(30(7)23-41-19-18-31-14-12-11-13-15-31)37(42-35)32-20-28(5)38(45-10)29(6)21-32/h11-17,20-22,26-27,30,41-42H,18-19,23-25H2,1-10H3/t30-/m1/s1
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n/an/a 16.9n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR F272L


J Med Chem 49: 637-47 (2006)


Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50180787
PNG
((S)-N,N-diisobutyl-2-(2-(4-methoxy-3,5-dimethylphe...)
Show SMILES COc1c(C)cc(cc1C)-c1[nH]c2ccc(cc2c1[C@H](C)CNCCc1ccccc1)C(C)(C)C(=O)N(CC(C)C)CC(C)C
Show InChI InChI=1S/C40H55N3O2/c1-26(2)24-43(25-27(3)4)39(44)40(8,9)33-16-17-35-34(22-33)36(30(7)23-41-19-18-31-14-12-11-13-15-31)37(42-35)32-20-28(5)38(45-10)29(6)21-32/h11-17,20-22,26-27,30,41-42H,18-19,23-25H2,1-10H3/t30-/m1/s1
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n/an/a 41.4n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR S203P


J Med Chem 49: 637-47 (2006)


Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50180787
PNG
((S)-N,N-diisobutyl-2-(2-(4-methoxy-3,5-dimethylphe...)
Show SMILES COc1c(C)cc(cc1C)-c1[nH]c2ccc(cc2c1[C@H](C)CNCCc1ccccc1)C(C)(C)C(=O)N(CC(C)C)CC(C)C
Show InChI InChI=1S/C40H55N3O2/c1-26(2)24-43(25-27(3)4)39(44)40(8,9)33-16-17-35-34(22-33)36(30(7)23-41-19-18-31-14-12-11-13-15-31)37(42-35)32-20-28(5)38(45-10)29(6)21-32/h11-17,20-22,26-27,30,41-42H,18-19,23-25H2,1-10H3/t30-/m1/s1
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n/an/a 47.1n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR N315A


J Med Chem 49: 637-47 (2006)


Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50180787
PNG
((S)-N,N-diisobutyl-2-(2-(4-methoxy-3,5-dimethylphe...)
Show SMILES COc1c(C)cc(cc1C)-c1[nH]c2ccc(cc2c1[C@H](C)CNCCc1ccccc1)C(C)(C)C(=O)N(CC(C)C)CC(C)C
Show InChI InChI=1S/C40H55N3O2/c1-26(2)24-43(25-27(3)4)39(44)40(8,9)33-16-17-35-34(22-33)36(30(7)23-41-19-18-31-14-12-11-13-15-31)37(42-35)32-20-28(5)38(45-10)29(6)21-32/h11-17,20-22,26-27,30,41-42H,18-19,23-25H2,1-10H3/t30-/m1/s1
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n/an/a 49.3n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR N315D


J Med Chem 49: 637-47 (2006)


Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50180787
PNG
((S)-N,N-diisobutyl-2-(2-(4-methoxy-3,5-dimethylphe...)
Show SMILES COc1c(C)cc(cc1C)-c1[nH]c2ccc(cc2c1[C@H](C)CNCCc1ccccc1)C(C)(C)C(=O)N(CC(C)C)CC(C)C
Show InChI InChI=1S/C40H55N3O2/c1-26(2)24-43(25-27(3)4)39(44)40(8,9)33-16-17-35-34(22-33)36(30(7)23-41-19-18-31-14-12-11-13-15-31)37(42-35)32-20-28(5)38(45-10)29(6)21-32/h11-17,20-22,26-27,30,41-42H,18-19,23-25H2,1-10H3/t30-/m1/s1
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n/an/a 60.1n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR F309L


J Med Chem 49: 637-47 (2006)


Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50180787
PNG
((S)-N,N-diisobutyl-2-(2-(4-methoxy-3,5-dimethylphe...)
Show SMILES COc1c(C)cc(cc1C)-c1[nH]c2ccc(cc2c1[C@H](C)CNCCc1ccccc1)C(C)(C)C(=O)N(CC(C)C)CC(C)C
Show InChI InChI=1S/C40H55N3O2/c1-26(2)24-43(25-27(3)4)39(44)40(8,9)33-16-17-35-34(22-33)36(30(7)23-41-19-18-31-14-12-11-13-15-31)37(42-35)32-20-28(5)38(45-10)29(6)21-32/h11-17,20-22,26-27,30,41-42H,18-19,23-25H2,1-10H3/t30-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR Q189A


J Med Chem 49: 637-47 (2006)


Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50180787
PNG
((S)-N,N-diisobutyl-2-(2-(4-methoxy-3,5-dimethylphe...)
Show SMILES COc1c(C)cc(cc1C)-c1[nH]c2ccc(cc2c1[C@H](C)CNCCc1ccccc1)C(C)(C)C(=O)N(CC(C)C)CC(C)C
Show InChI InChI=1S/C40H55N3O2/c1-26(2)24-43(25-27(3)4)39(44)40(8,9)33-16-17-35-34(22-33)36(30(7)23-41-19-18-31-14-12-11-13-15-31)37(42-35)32-20-28(5)38(45-10)29(6)21-32/h11-17,20-22,26-27,30,41-42H,18-19,23-25H2,1-10H3/t30-/m1/s1
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n/an/a 101n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR H306K


J Med Chem 49: 637-47 (2006)


Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50180787
PNG
((S)-N,N-diisobutyl-2-(2-(4-methoxy-3,5-dimethylphe...)
Show SMILES COc1c(C)cc(cc1C)-c1[nH]c2ccc(cc2c1[C@H](C)CNCCc1ccccc1)C(C)(C)C(=O)N(CC(C)C)CC(C)C
Show InChI InChI=1S/C40H55N3O2/c1-26(2)24-43(25-27(3)4)39(44)40(8,9)33-16-17-35-34(22-33)36(30(7)23-41-19-18-31-14-12-11-13-15-31)37(42-35)32-20-28(5)38(45-10)29(6)21-32/h11-17,20-22,26-27,30,41-42H,18-19,23-25H2,1-10H3/t30-/m1/s1
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n/an/a 15.2n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR E295Q


J Med Chem 49: 637-47 (2006)


Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50180787
PNG
((S)-N,N-diisobutyl-2-(2-(4-methoxy-3,5-dimethylphe...)
Show SMILES COc1c(C)cc(cc1C)-c1[nH]c2ccc(cc2c1[C@H](C)CNCCc1ccccc1)C(C)(C)C(=O)N(CC(C)C)CC(C)C
Show InChI InChI=1S/C40H55N3O2/c1-26(2)24-43(25-27(3)4)39(44)40(8,9)33-16-17-35-34(22-33)36(30(7)23-41-19-18-31-14-12-11-13-15-31)37(42-35)32-20-28(5)38(45-10)29(6)21-32/h11-17,20-22,26-27,30,41-42H,18-19,23-25H2,1-10H3/t30-/m1/s1
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n/an/a 20.6n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR D302Q


J Med Chem 49: 637-47 (2006)


Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50180787
PNG
((S)-N,N-diisobutyl-2-(2-(4-methoxy-3,5-dimethylphe...)
Show SMILES COc1c(C)cc(cc1C)-c1[nH]c2ccc(cc2c1[C@H](C)CNCCc1ccccc1)C(C)(C)C(=O)N(CC(C)C)CC(C)C
Show InChI InChI=1S/C40H55N3O2/c1-26(2)24-43(25-27(3)4)39(44)40(8,9)33-16-17-35-34(22-33)36(30(7)23-41-19-18-31-14-12-11-13-15-31)37(42-35)32-20-28(5)38(45-10)29(6)21-32/h11-17,20-22,26-27,30,41-42H,18-19,23-25H2,1-10H3/t30-/m1/s1
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n/an/a 17.9n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR M24A


J Med Chem 49: 637-47 (2006)


Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50180787
PNG
((S)-N,N-diisobutyl-2-(2-(4-methoxy-3,5-dimethylphe...)
Show SMILES COc1c(C)cc(cc1C)-c1[nH]c2ccc(cc2c1[C@H](C)CNCCc1ccccc1)C(C)(C)C(=O)N(CC(C)C)CC(C)C
Show InChI InChI=1S/C40H55N3O2/c1-26(2)24-43(25-27(3)4)39(44)40(8,9)33-16-17-35-34(22-33)36(30(7)23-41-19-18-31-14-12-11-13-15-31)37(42-35)32-20-28(5)38(45-10)29(6)21-32/h11-17,20-22,26-27,30,41-42H,18-19,23-25H2,1-10H3/t30-/m1/s1
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n/an/a 10.8n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR N27E


J Med Chem 49: 637-47 (2006)


Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50180787
PNG
((S)-N,N-diisobutyl-2-(2-(4-methoxy-3,5-dimethylphe...)
Show SMILES COc1c(C)cc(cc1C)-c1[nH]c2ccc(cc2c1[C@H](C)CNCCc1ccccc1)C(C)(C)C(=O)N(CC(C)C)CC(C)C
Show InChI InChI=1S/C40H55N3O2/c1-26(2)24-43(25-27(3)4)39(44)40(8,9)33-16-17-35-34(22-33)36(30(7)23-41-19-18-31-14-12-11-13-15-31)37(42-35)32-20-28(5)38(45-10)29(6)21-32/h11-17,20-22,26-27,30,41-42H,18-19,23-25H2,1-10H3/t30-/m1/s1
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n/an/a 56.1n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR D293K


J Med Chem 49: 637-47 (2006)


Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50180787
PNG
((S)-N,N-diisobutyl-2-(2-(4-methoxy-3,5-dimethylphe...)
Show SMILES COc1c(C)cc(cc1C)-c1[nH]c2ccc(cc2c1[C@H](C)CNCCc1ccccc1)C(C)(C)C(=O)N(CC(C)C)CC(C)C
Show InChI InChI=1S/C40H55N3O2/c1-26(2)24-43(25-27(3)4)39(44)40(8,9)33-16-17-35-34(22-33)36(30(7)23-41-19-18-31-14-12-11-13-15-31)37(42-35)32-20-28(5)38(45-10)29(6)21-32/h11-17,20-22,26-27,30,41-42H,18-19,23-25H2,1-10H3/t30-/m1/s1
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n/an/a 229n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR Y290Q


J Med Chem 49: 637-47 (2006)


Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50180787
PNG
((S)-N,N-diisobutyl-2-(2-(4-methoxy-3,5-dimethylphe...)
Show SMILES COc1c(C)cc(cc1C)-c1[nH]c2ccc(cc2c1[C@H](C)CNCCc1ccccc1)C(C)(C)C(=O)N(CC(C)C)CC(C)C
Show InChI InChI=1S/C40H55N3O2/c1-26(2)24-43(25-27(3)4)39(44)40(8,9)33-16-17-35-34(22-33)36(30(7)23-41-19-18-31-14-12-11-13-15-31)37(42-35)32-20-28(5)38(45-10)29(6)21-32/h11-17,20-22,26-27,30,41-42H,18-19,23-25H2,1-10H3/t30-/m1/s1
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n/an/a 82.3n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR K121A


J Med Chem 49: 637-47 (2006)


Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50180787
PNG
((S)-N,N-diisobutyl-2-(2-(4-methoxy-3,5-dimethylphe...)
Show SMILES COc1c(C)cc(cc1C)-c1[nH]c2ccc(cc2c1[C@H](C)CNCCc1ccccc1)C(C)(C)C(=O)N(CC(C)C)CC(C)C
Show InChI InChI=1S/C40H55N3O2/c1-26(2)24-43(25-27(3)4)39(44)40(8,9)33-16-17-35-34(22-33)36(30(7)23-41-19-18-31-14-12-11-13-15-31)37(42-35)32-20-28(5)38(45-10)29(6)21-32/h11-17,20-22,26-27,30,41-42H,18-19,23-25H2,1-10H3/t30-/m1/s1
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n/an/a 15.8n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR Q189K


J Med Chem 49: 637-47 (2006)


Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50180787
PNG
((S)-N,N-diisobutyl-2-(2-(4-methoxy-3,5-dimethylphe...)
Show SMILES COc1c(C)cc(cc1C)-c1[nH]c2ccc(cc2c1[C@H](C)CNCCc1ccccc1)C(C)(C)C(=O)N(CC(C)C)CC(C)C
Show InChI InChI=1S/C40H55N3O2/c1-26(2)24-43(25-27(3)4)39(44)40(8,9)33-16-17-35-34(22-33)36(30(7)23-41-19-18-31-14-12-11-13-15-31)37(42-35)32-20-28(5)38(45-10)29(6)21-32/h11-17,20-22,26-27,30,41-42H,18-19,23-25H2,1-10H3/t30-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR K191E


J Med Chem 49: 637-47 (2006)


Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50180787
PNG
((S)-N,N-diisobutyl-2-(2-(4-methoxy-3,5-dimethylphe...)
Show SMILES COc1c(C)cc(cc1C)-c1[nH]c2ccc(cc2c1[C@H](C)CNCCc1ccccc1)C(C)(C)C(=O)N(CC(C)C)CC(C)C
Show InChI InChI=1S/C40H55N3O2/c1-26(2)24-43(25-27(3)4)39(44)40(8,9)33-16-17-35-34(22-33)36(30(7)23-41-19-18-31-14-12-11-13-15-31)37(42-35)32-20-28(5)38(45-10)29(6)21-32/h11-17,20-22,26-27,30,41-42H,18-19,23-25H2,1-10H3/t30-/m1/s1
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n/an/a 22.4n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR L112A


J Med Chem 49: 637-47 (2006)


Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50180787
PNG
((S)-N,N-diisobutyl-2-(2-(4-methoxy-3,5-dimethylphe...)
Show SMILES COc1c(C)cc(cc1C)-c1[nH]c2ccc(cc2c1[C@H](C)CNCCc1ccccc1)C(C)(C)C(=O)N(CC(C)C)CC(C)C
Show InChI InChI=1S/C40H55N3O2/c1-26(2)24-43(25-27(3)4)39(44)40(8,9)33-16-17-35-34(22-33)36(30(7)23-41-19-18-31-14-12-11-13-15-31)37(42-35)32-20-28(5)38(45-10)29(6)21-32/h11-17,20-22,26-27,30,41-42H,18-19,23-25H2,1-10H3/t30-/m1/s1
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n/an/a 63.7n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR S118N


J Med Chem 49: 637-47 (2006)


Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50180787
PNG
((S)-N,N-diisobutyl-2-(2-(4-methoxy-3,5-dimethylphe...)
Show SMILES COc1c(C)cc(cc1C)-c1[nH]c2ccc(cc2c1[C@H](C)CNCCc1ccccc1)C(C)(C)C(=O)N(CC(C)C)CC(C)C
Show InChI InChI=1S/C40H55N3O2/c1-26(2)24-43(25-27(3)4)39(44)40(8,9)33-16-17-35-34(22-33)36(30(7)23-41-19-18-31-14-12-11-13-15-31)37(42-35)32-20-28(5)38(45-10)29(6)21-32/h11-17,20-22,26-27,30,41-42H,18-19,23-25H2,1-10H3/t30-/m1/s1
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n/an/a 8.90n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR S168A


J Med Chem 49: 637-47 (2006)


Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50180787
PNG
((S)-N,N-diisobutyl-2-(2-(4-methoxy-3,5-dimethylphe...)
Show SMILES COc1c(C)cc(cc1C)-c1[nH]c2ccc(cc2c1[C@H](C)CNCCc1ccccc1)C(C)(C)C(=O)N(CC(C)C)CC(C)C
Show InChI InChI=1S/C40H55N3O2/c1-26(2)24-43(25-27(3)4)39(44)40(8,9)33-16-17-35-34(22-33)36(30(7)23-41-19-18-31-14-12-11-13-15-31)37(42-35)32-20-28(5)38(45-10)29(6)21-32/h11-17,20-22,26-27,30,41-42H,18-19,23-25H2,1-10H3/t30-/m1/s1
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n/an/a 14.6n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR S203K


J Med Chem 49: 637-47 (2006)


Article DOI: 10.1021/jm0506928
BindingDB Entry DOI: 10.7270/Q24749GS
More data for this
Ligand-Target Pair
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