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3 similar compounds to monomer 50256834

Compile data set for download or QSAR
Wt: 599.7
BDBM50256835
Wt: 508.6
BDBM50244211
Wt: 508.6
BDBM50244176

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50256835,50244211,50244176   
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))
BDBM50244211
PNG
(6-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C30H32N6O2/c1-30(2,3)21-10-8-20(9-11-21)27-31-23-5-4-6-25(26(23)34-27)36-15-13-35(14-16-36)18-19-7-12-22-24(17-19)33-29(38)28(37)32-22/h4-12,17H,13-16,18H2,1-3H3,(H,31,34)(H,32,37)(H,33,38)
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n/an/a 4.90n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [125I]-(D-Trp6)LHRH from human recombinant GnRH receptor


Bioorg Med Chem 16: 6617-40 (2008)


Article DOI: 10.1016/j.bmc.2008.05.024
BindingDB Entry DOI: 10.7270/Q2FB52Q7
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50256835
PNG
(7-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2ccc3[nH]c(=O)c(=O)n(Cc4cccnc4)c3c2)CC1
Show InChI InChI=1S/C36H37N7O2/c1-36(2,3)27-12-10-26(11-13-27)33-38-29-7-4-8-30(32(29)40-33)42-18-16-41(17-19-42)22-24-9-14-28-31(20-24)43(35(45)34(44)39-28)23-25-6-5-15-37-21-25/h4-15,20-21H,16-19,22-23H2,1-3H3,(H,38,40)(H,39,44)
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n/an/a 69n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant GnRH receptor assessed as inhibition of [D-Trp6]-GnRH-stimulated LH release from rat pituitary cells


J Med Chem 52: 2148-52 (2009)


Article DOI: 10.1021/jm801572m
BindingDB Entry DOI: 10.7270/Q2ZC82RT
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50244211
PNG
(6-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C30H32N6O2/c1-30(2,3)21-10-8-20(9-11-21)27-31-23-5-4-6-25(26(23)34-27)36-15-13-35(14-16-36)18-19-7-12-22-24(17-19)33-29(38)28(37)32-22/h4-12,17H,13-16,18H2,1-3H3,(H,31,34)(H,32,37)(H,33,38)
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Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [125I]-(D-Trp6)LHRH from rat recombinant GnRH receptor


Bioorg Med Chem 16: 6617-40 (2008)


Article DOI: 10.1016/j.bmc.2008.05.024
BindingDB Entry DOI: 10.7270/Q2FB52Q7
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50244176
PNG
(5-({4-[2-(4-tert-Butylphenyl)-1H-benzimidazol-4-yl...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2cccc3[nH]c(=O)c(=O)[nH]c23)CC1
Show InChI InChI=1S/C30H32N6O2/c1-30(2,3)21-12-10-19(11-13-21)27-31-23-8-5-9-24(26(23)33-27)36-16-14-35(15-17-36)18-20-6-4-7-22-25(20)34-29(38)28(37)32-22/h4-13H,14-18H2,1-3H3,(H,31,33)(H,32,37)(H,34,38)
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Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [125I]-(D-Trp6)LHRH from rat recombinant GnRH receptor


Bioorg Med Chem 16: 6617-40 (2008)


Article DOI: 10.1016/j.bmc.2008.05.024
BindingDB Entry DOI: 10.7270/Q2FB52Q7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50244211
PNG
(6-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C30H32N6O2/c1-30(2,3)21-10-8-20(9-11-21)27-31-23-5-4-6-25(26(23)34-27)36-15-13-35(14-16-36)18-19-7-12-22-24(17-19)33-29(38)28(37)32-22/h4-12,17H,13-16,18H2,1-3H3,(H,31,34)(H,32,37)(H,33,38)
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n/an/a 9.40n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GnRH receptor assessed as reduction in (D-Trp6)LHRH-induced myo-(1,2)-[3H]inositol production


Bioorg Med Chem 16: 6617-40 (2008)


Article DOI: 10.1016/j.bmc.2008.05.024
BindingDB Entry DOI: 10.7270/Q2FB52Q7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50244176
PNG
(5-({4-[2-(4-tert-Butylphenyl)-1H-benzimidazol-4-yl...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2cccc3[nH]c(=O)c(=O)[nH]c23)CC1
Show InChI InChI=1S/C30H32N6O2/c1-30(2,3)21-12-10-19(11-13-21)27-31-23-8-5-9-24(26(23)33-27)36-16-14-35(15-17-36)18-20-6-4-7-22-25(20)34-29(38)28(37)32-22/h4-13H,14-18H2,1-3H3,(H,31,33)(H,32,37)(H,34,38)
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n/an/a 24n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GnRH receptor assessed as reduction in (D-Trp6)LHRH-induced myo-(1,2)-[3H]inositol production


Bioorg Med Chem 16: 6617-40 (2008)


Article DOI: 10.1016/j.bmc.2008.05.024
BindingDB Entry DOI: 10.7270/Q2FB52Q7
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50244211
PNG
(6-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C30H32N6O2/c1-30(2,3)21-10-8-20(9-11-21)27-31-23-5-4-6-25(26(23)34-27)36-15-13-35(14-16-36)18-19-7-12-22-24(17-19)33-29(38)28(37)32-22/h4-12,17H,13-16,18H2,1-3H3,(H,31,34)(H,32,37)(H,33,38)
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n/an/a 25n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant GnRH receptor in CO2 asphyxiated rat primary pituitary cells assessed as reduction in (D-Trp6)LHRH-induced LH rele...


Bioorg Med Chem 16: 6617-40 (2008)


Article DOI: 10.1016/j.bmc.2008.05.024
BindingDB Entry DOI: 10.7270/Q2FB52Q7
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50244176
PNG
(5-({4-[2-(4-tert-Butylphenyl)-1H-benzimidazol-4-yl...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2cccc3[nH]c(=O)c(=O)[nH]c23)CC1
Show InChI InChI=1S/C30H32N6O2/c1-30(2,3)21-12-10-19(11-13-21)27-31-23-8-5-9-24(26(23)33-27)36-16-14-35(15-17-36)18-20-6-4-7-22-25(20)34-29(38)28(37)32-22/h4-13H,14-18H2,1-3H3,(H,31,33)(H,32,37)(H,34,38)
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Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant GnRH receptor in CO2 asphyxiated rat primary pituitary cells assessed as reduction in (D-Trp6)LHRH-induced LH rele...


Bioorg Med Chem 16: 6617-40 (2008)


Article DOI: 10.1016/j.bmc.2008.05.024
BindingDB Entry DOI: 10.7270/Q2FB52Q7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50244211
PNG
(6-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C30H32N6O2/c1-30(2,3)21-10-8-20(9-11-21)27-31-23-5-4-6-25(26(23)34-27)36-15-13-35(14-16-36)18-19-7-12-22-24(17-19)33-29(38)28(37)32-22/h4-12,17H,13-16,18H2,1-3H3,(H,31,34)(H,32,37)(H,33,38)
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n/an/a 4.90n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [D-Trp6]-GnRH from human recombinant GnRH receptor


J Med Chem 52: 2148-52 (2009)


Article DOI: 10.1021/jm801572m
BindingDB Entry DOI: 10.7270/Q2ZC82RT
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50244211
PNG
(6-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C30H32N6O2/c1-30(2,3)21-10-8-20(9-11-21)27-31-23-5-4-6-25(26(23)34-27)36-15-13-35(14-16-36)18-19-7-12-22-24(17-19)33-29(38)28(37)32-22/h4-12,17H,13-16,18H2,1-3H3,(H,31,34)(H,32,37)(H,33,38)
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n/an/a 40n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [D-Trp6]-GnRH from rat recombinant GnRH receptor


J Med Chem 52: 2148-52 (2009)


Article DOI: 10.1021/jm801572m
BindingDB Entry DOI: 10.7270/Q2ZC82RT
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50244211
PNG
(6-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C30H32N6O2/c1-30(2,3)21-10-8-20(9-11-21)27-31-23-5-4-6-25(26(23)34-27)36-15-13-35(14-16-36)18-19-7-12-22-24(17-19)33-29(38)28(37)32-22/h4-12,17H,13-16,18H2,1-3H3,(H,31,34)(H,32,37)(H,33,38)
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n/an/a 9.40n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at human GnRH receptor assessed as inhibition of [D-Trp6]-GnRH-stimulated [3H]IP reduction


J Med Chem 52: 2148-52 (2009)


Article DOI: 10.1021/jm801572m
BindingDB Entry DOI: 10.7270/Q2ZC82RT
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50244211
PNG
(6-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C30H32N6O2/c1-30(2,3)21-10-8-20(9-11-21)27-31-23-5-4-6-25(26(23)34-27)36-15-13-35(14-16-36)18-19-7-12-22-24(17-19)33-29(38)28(37)32-22/h4-12,17H,13-16,18H2,1-3H3,(H,31,34)(H,32,37)(H,33,38)
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n/an/a 25n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant GnRH receptor assessed as inhibition of [D-Trp6]-GnRH-stimulated LH release from rat pituitary cells


J Med Chem 52: 2148-52 (2009)


Article DOI: 10.1021/jm801572m
BindingDB Entry DOI: 10.7270/Q2ZC82RT
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50256835
PNG
(7-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2ccc3[nH]c(=O)c(=O)n(Cc4cccnc4)c3c2)CC1
Show InChI InChI=1S/C36H37N7O2/c1-36(2,3)27-12-10-26(11-13-27)33-38-29-7-4-8-30(32(29)40-33)42-18-16-41(17-19-42)22-24-9-14-28-31(20-24)43(35(45)34(44)39-28)23-25-6-5-15-37-21-25/h4-15,20-21H,16-19,22-23H2,1-3H3,(H,38,40)(H,39,44)
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n/an/a 5.60n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [D-Trp6]-GnRH from human recombinant GnRH receptor


J Med Chem 52: 2148-52 (2009)


Article DOI: 10.1021/jm801572m
BindingDB Entry DOI: 10.7270/Q2ZC82RT
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50256835
PNG
(7-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2ccc3[nH]c(=O)c(=O)n(Cc4cccnc4)c3c2)CC1
Show InChI InChI=1S/C36H37N7O2/c1-36(2,3)27-12-10-26(11-13-27)33-38-29-7-4-8-30(32(29)40-33)42-18-16-41(17-19-42)22-24-9-14-28-31(20-24)43(35(45)34(44)39-28)23-25-6-5-15-37-21-25/h4-15,20-21H,16-19,22-23H2,1-3H3,(H,38,40)(H,39,44)
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n/an/a 47n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [D-Trp6]-GnRH from rat recombinant GnRH receptor


J Med Chem 52: 2148-52 (2009)


Article DOI: 10.1021/jm801572m
BindingDB Entry DOI: 10.7270/Q2ZC82RT
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50256835
PNG
(7-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2ccc3[nH]c(=O)c(=O)n(Cc4cccnc4)c3c2)CC1
Show InChI InChI=1S/C36H37N7O2/c1-36(2,3)27-12-10-26(11-13-27)33-38-29-7-4-8-30(32(29)40-33)42-18-16-41(17-19-42)22-24-9-14-28-31(20-24)43(35(45)34(44)39-28)23-25-6-5-15-37-21-25/h4-15,20-21H,16-19,22-23H2,1-3H3,(H,38,40)(H,39,44)
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n/an/a 14n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at human GnRH receptor assessed as inhibition of [D-Trp6]-GnRH-stimulated [3H]IP reduction


J Med Chem 52: 2148-52 (2009)


Article DOI: 10.1021/jm801572m
BindingDB Entry DOI: 10.7270/Q2ZC82RT
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50244176
PNG
(5-({4-[2-(4-tert-Butylphenyl)-1H-benzimidazol-4-yl...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2cccc3[nH]c(=O)c(=O)[nH]c23)CC1
Show InChI InChI=1S/C30H32N6O2/c1-30(2,3)21-12-10-19(11-13-21)27-31-23-8-5-9-24(26(23)33-27)36-16-14-35(15-17-36)18-20-6-4-7-22-25(20)34-29(38)28(37)32-22/h4-13H,14-18H2,1-3H3,(H,31,33)(H,32,37)(H,34,38)
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n/an/a 5.70n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [125I]-(D-Trp6)LHRH from human recombinant GnRH receptor


Bioorg Med Chem 16: 6617-40 (2008)


Article DOI: 10.1016/j.bmc.2008.05.024
BindingDB Entry DOI: 10.7270/Q2FB52Q7
More data for this
Ligand-Target Pair