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Compile Data Set for Download or QSAR

Found 259 hits with Last Name = 'mehlmann' and Initial = 'jf'   
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
Substance-K receptor


(Homo sapiens (Human))
BDBM50256882
PNG
(6-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2ccc3nccnc3c2)CC1
Show InChI InChI=1S/C30H32N6/c1-30(2,3)23-10-8-22(9-11-23)29-33-25-5-4-6-27(28(25)34-29)36-17-15-35(16-18-36)20-21-7-12-24-26(19-21)32-14-13-31-24/h4-14,19H,15-18,20H2,1-3H3,(H,33,34)
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330n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human neurokinin NK2 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
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50256882
PNG
(6-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2ccc3nccnc3c2)CC1
Show InChI InChI=1S/C30H32N6/c1-30(2,3)23-10-8-22(9-11-23)29-33-25-5-4-6-27(28(25)34-29)36-17-15-35(16-18-36)20-21-7-12-24-26(19-21)32-14-13-31-24/h4-14,19H,15-18,20H2,1-3H3,(H,33,34)
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850n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human histamine H2 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))
BDBM50244213
PNG
(5-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)
Show SMILES CCn1cc(CN2CCN(CC2)c2cccc3[nH]c(nc23)-c2ccc(cc2)C(C)(C)C)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H34N6O2/c1-5-33-18-20(26(35)31-27(33)36)17-32-13-15-34(16-14-32)23-8-6-7-22-24(23)30-25(29-22)19-9-11-21(12-10-19)28(2,3)4/h6-12,18H,5,13-17H2,1-4H3,(H,29,30)(H,31,35,36)
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n/an/a 1.70n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 1986-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.043
BindingDB Entry DOI: 10.7270/Q28S4PS4
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50256836
PNG
(7-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2cnc3[nH]c(=O)c(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C29H31N7O2/c1-29(2,3)20-9-7-19(8-10-20)25-31-21-5-4-6-23(24(21)33-25)36-13-11-35(12-14-36)17-18-15-22-26(30-16-18)34-28(38)27(37)32-22/h4-10,15-16H,11-14,17H2,1-3H3,(H,31,33)(H,32,37)(H,30,34,38)
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n/an/a 1.80n/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
Receptor-interacting serine/threonine-protein kinase 2


(Rattus norvegicus)
BDBM50184765
PNG
(CHEMBL3823499)
Show SMILES CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1
Show InChI InChI=1S/C20H19FN4O2S/c1-20(2,3)28(26,27)13-5-7-16-14(11-13)17(8-9-22-16)23-19-15-10-12(21)4-6-18(15)24-25-19/h4-11H,1-3H3,(H2,22,23,24,25)
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of rat RIPK2 preincubated for 10 mins followed by addition of fluorescent-labeled 2-Methyl-5-(2-propen-l-yloxy)aniline measured after 10 m...


J Med Chem 59: 4867-80 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00211
BindingDB Entry DOI: 10.7270/Q2G162SQ
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50315277
PNG
(5-((4-(2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin...)
Show SMILES CCn1cc(CN2CCN(CC2)c2cccn3cc(nc23)-c2ccc(cc2)C(C)(C)C)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H34N6O2/c1-5-32-18-21(26(35)30-27(32)36)17-31-13-15-33(16-14-31)24-7-6-12-34-19-23(29-25(24)34)20-8-10-22(11-9-20)28(2,3)4/h6-12,18-19H,5,13-17H2,1-4H3,(H,30,35,36)
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n/an/a 2.30n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [125I]D-Trp6-GnRH from human recombinant GNRH receptor by scintillation counting


Bioorg Med Chem Lett 20: 2512-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.099
BindingDB Entry DOI: 10.7270/Q2W0962G
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM25198
PNG
(3-[(6-methanesulfonylquinolin-4-yl)amino]-4-methyl...)
Show SMILES Cc1ccc(O)cc1Nc1ccnc2ccc(cc12)S(C)(=O)=O
Show InChI InChI=1S/C17H16N2O3S/c1-11-3-4-12(20)9-17(11)19-16-7-8-18-15-6-5-13(10-14(15)16)23(2,21)22/h3-10,20H,1-2H3,(H,18,19)
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n/an/a 3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Competitive inhibition of full length FLAG-His-tagged RIP2K (unknown origin) expressed in baculovirus expression system preincubated for 10 mins foll...


J Med Chem 59: 4867-80 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00211
BindingDB Entry DOI: 10.7270/Q2G162SQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM25198
PNG
(3-[(6-methanesulfonylquinolin-4-yl)amino]-4-methyl...)
Show SMILES Cc1ccc(O)cc1Nc1ccnc2ccc(cc12)S(C)(=O)=O
Show InChI InChI=1S/C17H16N2O3S/c1-11-3-4-12(20)9-17(11)19-16-7-8-18-15-6-5-13(10-14(15)16)23(2,21)22/h3-10,20H,1-2H3,(H,18,19)
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n/an/a 3.20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Competitive inhibition of full length FLAG-His-tagged RIP2K (unknown origin) expressed in baculovirus expression system preincubated for 10 mins foll...


J Med Chem 59: 4867-80 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00211
BindingDB Entry DOI: 10.7270/Q2G162SQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50256834
PNG
(7-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)
Show SMILES Cn1c2cc(CN3CCN(CC3)c3cccc4[nH]c(nc34)-c3ccc(cc3)C(C)(C)C)ccc2[nH]c(=O)c1=O
Show InChI InChI=1S/C31H34N6O2/c1-31(2,3)22-11-9-21(10-12-22)28-32-24-6-5-7-25(27(24)34-28)37-16-14-36(15-17-37)19-20-8-13-23-26(18-20)35(4)30(39)29(38)33-23/h5-13,18H,14-17,19H2,1-4H3,(H,32,34)(H,33,38)
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n/an/a 3.5n/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 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50244213
PNG
(5-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)
Show SMILES CCn1cc(CN2CCN(CC2)c2cccc3[nH]c(nc23)-c2ccc(cc2)C(C)(C)C)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H34N6O2/c1-5-33-18-20(26(35)31-27(33)36)17-32-13-15-34(16-14-32)23-8-6-7-22-24(23)30-25(29-22)19-9-11-21(12-10-19)28(2,3)4/h6-12,18H,5,13-17H2,1-4H3,(H,29,30)(H,31,35,36)
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n/an/a 4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GnRH receptor expressed in HEK293 cells assessed as reduction in (D-Trp6)-GnRH-stimulated IP production by w...


Bioorg Med Chem Lett 19: 1986-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.043
BindingDB Entry DOI: 10.7270/Q28S4PS4
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50315276
PNG
(5-((4-(2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1cn2cccc(N3CCN(Cc4c[nH]c(=O)[nH]c4=O)CC3)c2n1
Show InChI InChI=1S/C26H30N6O2/c1-26(2,3)20-8-6-18(7-9-20)21-17-32-10-4-5-22(23(32)28-21)31-13-11-30(12-14-31)16-19-15-27-25(34)29-24(19)33/h4-10,15,17H,11-14,16H2,1-3H3,(H2,27,29,33,34)
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n/an/a 4.30n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [125I]D-Trp6-GnRH from human recombinant GNRH receptor by scintillation counting


Bioorg Med Chem Lett 20: 2512-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.099
BindingDB Entry DOI: 10.7270/Q2W0962G
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
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM50184765
PNG
(CHEMBL3823499)
Show SMILES CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1
Show InChI InChI=1S/C20H19FN4O2S/c1-20(2,3)28(26,27)13-5-7-16-14(11-13)17(8-9-22-16)23-19-15-10-12(21)4-6-18(15)24-25-19/h4-11H,1-3H3,(H2,22,23,24,25)
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n/an/a 5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Competitive inhibition of full length FLAG-His-tagged RIP2K (unknown origin) expressed in baculovirus expression system preincubated for 10 mins foll...


J Med Chem 59: 4867-80 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00211
BindingDB Entry DOI: 10.7270/Q2G162SQ
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50315277
PNG
(5-((4-(2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin...)
Show SMILES CCn1cc(CN2CCN(CC2)c2cccn3cc(nc23)-c2ccc(cc2)C(C)(C)C)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H34N6O2/c1-5-32-18-21(26(35)30-27(32)36)17-31-13-15-33(16-14-31)24-7-6-12-34-19-23(29-25(24)34)20-8-10-22(11-9-20)28(2,3)4/h6-12,18-19H,5,13-17H2,1-4H3,(H,30,35,36)
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n/an/a 5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GNRH receptor assessed as inhibition of D-Trp6-GNRH-induced IP accumulation after 1 hr by rapid filtration a...


Bioorg Med Chem Lett 20: 2512-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.099
BindingDB Entry DOI: 10.7270/Q2W0962G
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)
BDBM50315277
PNG
(5-((4-(2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin...)
Show SMILES CCn1cc(CN2CCN(CC2)c2cccn3cc(nc23)-c2ccc(cc2)C(C)(C)C)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H34N6O2/c1-5-32-18-21(26(35)30-27(32)36)17-31-13-15-33(16-14-31)24-7-6-12-34-19-23(29-25(24)34)20-8-10-22(11-9-20)28(2,3)4/h6-12,18-19H,5,13-17H2,1-4H3,(H,30,35,36)
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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-GnRH from rat recombinant GNRH receptor by scintillation counting


Bioorg Med Chem Lett 20: 2512-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.099
BindingDB Entry DOI: 10.7270/Q2W0962G
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50258205
PNG
(2-(4-tert-butylphenyl)-4-(4-((1-ethyl-5-methyl-1H-...)
Show SMILES CCn1cnc(CN2CCN(CC2)c2cccc3[nH]c(nc23)-c2ccc(cc2)C(C)(C)C)c1C
Show InChI InChI=1S/C28H36N6/c1-6-33-19-29-24(20(33)2)18-32-14-16-34(17-15-32)25-9-7-8-23-26(25)31-27(30-23)21-10-12-22(13-11-21)28(3,4)5/h7-13,19H,6,14-18H2,1-5H3,(H,30,31)
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n/an/a 5.80n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [125I]D-Trp6-GnRH from human recombinant GNRH receptor by scintillation counting


Bioorg Med Chem Lett 20: 2512-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.099
BindingDB Entry DOI: 10.7270/Q2W0962G
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM50184479
PNG
(CHEMBL3822791)
Show SMILES CS(=O)(=O)c1ccc2nccc(Nc3ccc4scnc4c3)c2c1
Show InChI InChI=1S/C17H13N3O2S2/c1-24(21,22)12-3-4-14-13(9-12)15(6-7-18-14)20-11-2-5-17-16(8-11)19-10-23-17/h2-10H,1H3,(H,18,20)
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n/an/a 6.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Competitive inhibition of full length FLAG-His-tagged RIP2K (unknown origin) expressed in baculovirus expression system preincubated for 10 mins foll...


J Med Chem 59: 4867-80 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00211
BindingDB Entry DOI: 10.7270/Q2G162SQ
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50315275
PNG
(2-(4-tert-butylphenyl)-8-(4-((1-ethyl-5-methyl-1H-...)
Show SMILES CCn1cnc(CN2CCN(CC2)c2cccn3cc(nc23)-c2ccc(cc2)C(C)(C)C)c1C
Show InChI InChI=1S/C28H36N6/c1-6-32-20-29-24(21(32)2)18-31-14-16-33(17-15-31)26-8-7-13-34-19-25(30-27(26)34)22-9-11-23(12-10-22)28(3,4)5/h7-13,19-20H,6,14-18H2,1-5H3
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n/an/a 6.70n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [125I]D-Trp6-GnRH from human recombinant GNRH receptor by scintillation counting


Bioorg Med Chem Lett 20: 2512-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.099
BindingDB Entry DOI: 10.7270/Q2W0962G
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50258205
PNG
(2-(4-tert-butylphenyl)-4-(4-((1-ethyl-5-methyl-1H-...)
Show SMILES CCn1cnc(CN2CCN(CC2)c2cccc3[nH]c(nc23)-c2ccc(cc2)C(C)(C)C)c1C
Show InChI InChI=1S/C28H36N6/c1-6-33-19-29-24(20(33)2)18-32-14-16-34(17-15-32)25-9-7-8-23-26(25)31-27(30-23)21-10-12-22(13-11-21)28(3,4)5/h7-13,19H,6,14-18H2,1-5H3,(H,30,31)
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n/an/a 7n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 1986-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.043
BindingDB Entry DOI: 10.7270/Q28S4PS4
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50256834
PNG
(7-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)
Show SMILES Cn1c2cc(CN3CCN(CC3)c3cccc4[nH]c(nc34)-c3ccc(cc3)C(C)(C)C)ccc2[nH]c(=O)c1=O
Show InChI InChI=1S/C31H34N6O2/c1-31(2,3)22-11-9-21(10-12-22)28-32-24-6-5-7-25(27(24)34-28)37-16-14-36(15-17-37)19-20-8-13-23-26(18-20)35(4)30(39)29(38)33-23/h5-13,18H,14-17,19H2,1-4H3,(H,32,34)(H,33,38)
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n/an/a 7.40n/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 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50258018
PNG
(2-(4-tert-butylphenyl)-4-(4-((2-methyl-1H-imidazol...)
Show SMILES Cc1ncc(CN2CCN(CC2)c2cccc3[nH]c(nc23)-c2ccc(cc2)C(C)(C)C)[nH]1
Show InChI InChI=1S/C26H32N6/c1-18-27-16-21(28-18)17-31-12-14-32(15-13-31)23-7-5-6-22-24(23)30-25(29-22)19-8-10-20(11-9-19)26(2,3)4/h5-11,16H,12-15,17H2,1-4H3,(H,27,28)(H,29,30)
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n/an/a 7.5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 1986-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.043
BindingDB Entry DOI: 10.7270/Q28S4PS4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM50184727
PNG
(CHEMBL3822938)
Show SMILES Cc1ccc(O)cc1Nc1ccnc2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C17H13F3N2O/c1-10-2-4-12(23)9-16(10)22-15-6-7-21-14-5-3-11(8-13(14)15)17(18,19)20/h2-9,23H,1H3,(H,21,22)
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n/an/a 8n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Competitive inhibition of full length FLAG-His-tagged RIP2K (unknown origin) expressed in baculovirus expression system preincubated for 10 mins foll...


J Med Chem 59: 4867-80 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00211
BindingDB Entry DOI: 10.7270/Q2G162SQ
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50257669
PNG
(2-(4-tert-butylphenyl)-4-(4-((1,2-diethyl-5-methyl...)
Show SMILES CCc1nc(CN2CCN(CC2)c2cccc3[nH]c(nc23)-c2ccc(cc2)C(C)(C)C)c(C)n1CC
Show InChI InChI=1S/C30H40N6/c1-7-27-31-25(21(3)36(27)8-2)20-34-16-18-35(19-17-34)26-11-9-10-24-28(26)33-29(32-24)22-12-14-23(15-13-22)30(4,5)6/h9-15H,7-8,16-20H2,1-6H3,(H,32,33)
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n/an/a 8n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 1986-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.043
BindingDB Entry DOI: 10.7270/Q28S4PS4
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 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50256836
PNG
(7-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2cnc3[nH]c(=O)c(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C29H31N7O2/c1-29(2,3)20-9-7-19(8-10-20)25-31-21-5-4-6-23(24(21)33-25)36-13-11-35(12-14-36)17-18-15-22-26(30-16-18)34-28(38)27(37)32-22/h4-10,15-16H,11-14,17H2,1-3H3,(H,31,33)(H,32,37)(H,30,34,38)
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n/an/a 9.70n/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))
BDBM50315271
PNG
(2-(4-tert-butylphenyl)-8-(4-((2-ethyl-5-methyl-1H-...)
Show SMILES CCc1nc(C)c(CN2CCN(CC2)c2cccn3cc(nc23)-c2ccc(cc2)C(C)(C)C)[nH]1
Show InChI InChI=1S/C28H36N6/c1-6-26-29-20(2)23(30-26)18-32-14-16-33(17-15-32)25-8-7-13-34-19-24(31-27(25)34)21-9-11-22(12-10-21)28(3,4)5/h7-13,19H,6,14-18H2,1-5H3,(H,29,30)
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n/an/a 9.80n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [125I]D-Trp6-GnRH from human recombinant GNRH receptor by scintillation counting


Bioorg Med Chem Lett 20: 2512-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.099
BindingDB Entry DOI: 10.7270/Q2W0962G
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50257516
PNG
(2-(4-tert-butylphenyl)-4-(4-((1-ethyl-2-methyl-1H-...)
Show SMILES CCn1cc(CN2CCN(CC2)c2cccc3[nH]c(nc23)-c2ccc(cc2)C(C)(C)C)nc1C
Show InChI InChI=1S/C28H36N6/c1-6-33-19-23(29-20(33)2)18-32-14-16-34(17-15-32)25-9-7-8-24-26(25)31-27(30-24)21-10-12-22(13-11-21)28(3,4)5/h7-13,19H,6,14-18H2,1-5H3,(H,30,31)
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n/an/a 10n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 1986-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.043
BindingDB Entry DOI: 10.7270/Q28S4PS4
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50261251
PNG
(2-(4-tert-butylphenyl)-4-(4-((2-ethyl-4-methyl-1H-...)
Show SMILES CCc1nc(C)c(CN2CCN(CC2)c2cccc3[nH]c(nc23)-c2ccc(cc2)C(C)(C)C)[nH]1
Show InChI InChI=1S/C28H36N6/c1-6-25-29-19(2)23(30-25)18-33-14-16-34(17-15-33)24-9-7-8-22-26(24)32-27(31-22)20-10-12-21(13-11-20)28(3,4)5/h7-13H,6,14-18H2,1-5H3,(H,29,30)(H,31,32)
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n/an/a 10n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [125I]D-Trp6-GnRH from human recombinant GNRH receptor by scintillation counting


Bioorg Med Chem Lett 20: 2512-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.099
BindingDB Entry DOI: 10.7270/Q2W0962G
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM50184764
PNG
(CHEMBL3822577)
Show SMILES CC(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1
Show InChI InChI=1S/C19H17FN4O2S/c1-11(2)27(25,26)13-4-6-16-14(10-13)17(7-8-21-16)22-19-15-9-12(20)3-5-18(15)23-24-19/h3-11H,1-2H3,(H2,21,22,23,24)
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Competitive inhibition of full length FLAG-His-tagged RIP2K (unknown origin) expressed in baculovirus expression system preincubated for 10 mins foll...


J Med Chem 59: 4867-80 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00211
BindingDB Entry DOI: 10.7270/Q2G162SQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM25195
PNG
(4-methyl-3-{[6-(pyridin-3-yl)quinolin-4-yl]amino}p...)
Show SMILES Cc1ccc(O)cc1Nc1ccnc2ccc(cc12)-c1cccnc1
Show InChI InChI=1S/C21H17N3O/c1-14-4-6-17(25)12-21(14)24-20-8-10-23-19-7-5-15(11-18(19)20)16-3-2-9-22-13-16/h2-13,25H,1H3,(H,23,24)
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Competitive inhibition of full length FLAG-His-tagged RIP2K (unknown origin) expressed in baculovirus expression system preincubated for 10 mins foll...


J Med Chem 59: 4867-80 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00211
BindingDB Entry DOI: 10.7270/Q2G162SQ
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50257513
PNG
(2-(4-tert-butylphenyl)-4-(4-((1,2-dimethyl-1H-imid...)
Show SMILES Cc1nc(CN2CCN(CC2)c2cccc3[nH]c(nc23)-c2ccc(cc2)C(C)(C)C)cn1C
Show InChI InChI=1S/C27H34N6/c1-19-28-22(17-31(19)5)18-32-13-15-33(16-14-32)24-8-6-7-23-25(24)30-26(29-23)20-9-11-21(12-10-20)27(2,3)4/h6-12,17H,13-16,18H2,1-5H3,(H,29,30)
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n/an/a 10n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 1986-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.043
BindingDB Entry DOI: 10.7270/Q28S4PS4
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50257668
PNG
(2-(4-tert-butylphenyl)-4-(4-((1,2-diethyl-1H-imida...)
Show SMILES CCc1nc(CN2CCN(CC2)c2cccc3[nH]c(nc23)-c2ccc(cc2)C(C)(C)C)cn1CC
Show InChI InChI=1S/C29H38N6/c1-6-26-30-23(20-34(26)7-2)19-33-15-17-35(18-16-33)25-10-8-9-24-27(25)32-28(31-24)21-11-13-22(14-12-21)29(3,4)5/h8-14,20H,6-7,15-19H2,1-5H3,(H,31,32)
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n/an/a 11n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 1986-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.043
BindingDB Entry DOI: 10.7270/Q28S4PS4
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50256882
PNG
(6-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2ccc3nccnc3c2)CC1
Show InChI InChI=1S/C30H32N6/c1-30(2,3)23-10-8-22(9-11-23)29-33-25-5-4-6-27(28(25)34-29)36-17-15-35(16-18-36)20-21-7-12-24-26(19-21)32-14-13-31-24/h4-14,19H,15-18,20H2,1-3H3,(H,33,34)
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n/an/a 12n/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)
BDBM50315275
PNG
(2-(4-tert-butylphenyl)-8-(4-((1-ethyl-5-methyl-1H-...)
Show SMILES CCn1cnc(CN2CCN(CC2)c2cccn3cc(nc23)-c2ccc(cc2)C(C)(C)C)c1C
Show InChI InChI=1S/C28H36N6/c1-6-32-20-29-24(21(32)2)18-31-14-16-33(17-15-31)26-8-7-13-34-19-25(30-27(26)34)22-9-11-23(12-10-22)28(3,4)5/h7-13,19-20H,6,14-18H2,1-5H3
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n/an/a 12n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [125I]D-Trp6-GnRH from rat recombinant GNRH receptor by scintillation counting


Bioorg Med Chem Lett 20: 2512-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.099
BindingDB Entry DOI: 10.7270/Q2W0962G
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50256882
PNG
(6-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2ccc3nccnc3c2)CC1
Show InChI InChI=1S/C30H32N6/c1-30(2,3)23-10-8-22(9-11-23)29-33-25-5-4-6-27(28(25)34-29)36-17-15-35(16-18-36)20-21-7-12-24-26(19-21)32-14-13-31-24/h4-14,19H,15-18,20H2,1-3H3,(H,33,34)
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n/an/a 12n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [125I]D-Trp6-GnRH from human recombinant GNRH receptor by scintillation counting


Bioorg Med Chem Lett 20: 2512-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.099
BindingDB Entry DOI: 10.7270/Q2W0962G
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50258245
PNG
(2-(4-tert-butylphenyl)-4-(4-((5-methyl-1-propyl-1H...)
Show SMILES CCCn1cnc(CN2CCN(CC2)c2cccc3[nH]c(nc23)-c2ccc(cc2)C(C)(C)C)c1C
Show InChI InChI=1S/C29H38N6/c1-6-14-35-20-30-25(21(35)2)19-33-15-17-34(18-16-33)26-9-7-8-24-27(26)32-28(31-24)22-10-12-23(13-11-22)29(3,4)5/h7-13,20H,6,14-19H2,1-5H3,(H,31,32)
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n/an/a 12n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 1986-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.043
BindingDB Entry DOI: 10.7270/Q28S4PS4
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50257669
PNG
(2-(4-tert-butylphenyl)-4-(4-((1,2-diethyl-5-methyl...)
Show SMILES CCc1nc(CN2CCN(CC2)c2cccc3[nH]c(nc23)-c2ccc(cc2)C(C)(C)C)c(C)n1CC
Show InChI InChI=1S/C30H40N6/c1-7-27-31-25(21(3)36(27)8-2)20-34-16-18-35(19-17-34)26-11-9-10-24-28(26)33-29(32-24)22-12-14-23(15-13-22)30(4,5)6/h9-15H,7-8,16-20H2,1-6H3,(H,32,33)
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n/an/a 13n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GnRH receptor expressed in HEK293 cells assessed as reduction in (D-Trp6)-GnRH-stimulated IP production by w...


Bioorg Med Chem Lett 19: 1986-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.043
BindingDB Entry DOI: 10.7270/Q28S4PS4
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))
BDBM50258205
PNG
(2-(4-tert-butylphenyl)-4-(4-((1-ethyl-5-methyl-1H-...)
Show SMILES CCn1cnc(CN2CCN(CC2)c2cccc3[nH]c(nc23)-c2ccc(cc2)C(C)(C)C)c1C
Show InChI InChI=1S/C28H36N6/c1-6-33-19-29-24(20(33)2)18-32-14-16-34(17-15-32)25-9-7-8-23-26(25)31-27(30-23)21-10-12-22(13-11-21)28(3,4)5/h7-13,19H,6,14-18H2,1-5H3,(H,30,31)
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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 recombinant GnRH receptor expressed in HEK293 cells assessed as reduction in (D-Trp6)-GnRH-stimulated IP production by w...


Bioorg Med Chem Lett 19: 1986-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.043
BindingDB Entry DOI: 10.7270/Q28S4PS4
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50258205
PNG
(2-(4-tert-butylphenyl)-4-(4-((1-ethyl-5-methyl-1H-...)
Show SMILES CCn1cnc(CN2CCN(CC2)c2cccc3[nH]c(nc23)-c2ccc(cc2)C(C)(C)C)c1C
Show InChI InChI=1S/C28H36N6/c1-6-33-19-29-24(20(33)2)18-32-14-16-34(17-15-32)25-9-7-8-23-26(25)31-27(30-23)21-10-12-22(13-11-21)28(3,4)5/h7-13,19H,6,14-18H2,1-5H3,(H,30,31)
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n/an/a 15n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GNRH receptor assessed as inhibition of D-Trp6-GNRH-induced IP accumulation after 1 hr by rapid filtration a...


Bioorg Med Chem Lett 20: 2512-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.099
BindingDB Entry DOI: 10.7270/Q2W0962G
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50256881
PNG
(6-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2ccc3NC(=O)CNc3c2)CC1
Show InChI InChI=1S/C30H34N6O/c1-30(2,3)22-10-8-21(9-11-22)29-33-24-5-4-6-26(28(24)34-29)36-15-13-35(14-16-36)19-20-7-12-23-25(17-20)31-18-27(37)32-23/h4-12,17,31H,13-16,18-19H2,1-3H3,(H,32,37)(H,33,34)
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n/an/a 16n/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
Receptor-interacting serine/threonine-protein kinase 3


(Homo sapiens (Human))
BDBM50184765
PNG
(CHEMBL3823499)
Show SMILES CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1
Show InChI InChI=1S/C20H19FN4O2S/c1-20(2,3)28(26,27)13-5-7-16-14(11-13)17(8-9-22-16)23-19-15-10-12(21)4-6-18(15)24-25-19/h4-11H,1-3H3,(H2,22,23,24,25)
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RIPK3 (unknown origin) preincubated for 10 mins followed by addition of fluorescent-labeled 2-Methyl-5-(2-propen-l-yloxy)aniline measur...


J Med Chem 59: 4867-80 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00211
BindingDB Entry DOI: 10.7270/Q2G162SQ
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50256881
PNG
(6-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2ccc3NC(=O)CNc3c2)CC1
Show InChI InChI=1S/C30H34N6O/c1-30(2,3)22-10-8-21(9-11-22)29-33-24-5-4-6-26(28(24)34-29)36-15-13-35(14-16-36)19-20-7-12-23-25(17-20)31-18-27(37)32-23/h4-12,17,31H,13-16,18-19H2,1-3H3,(H,32,37)(H,33,34)
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n/an/a 16n/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)
BDBM50256834
PNG
(7-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)
Show SMILES Cn1c2cc(CN3CCN(CC3)c3cccc4[nH]c(nc34)-c3ccc(cc3)C(C)(C)C)ccc2[nH]c(=O)c1=O
Show InChI InChI=1S/C31H34N6O2/c1-31(2,3)22-11-9-21(10-12-22)28-32-24-6-5-7-25(27(24)34-28)37-16-14-36(15-17-37)19-20-8-13-23-26(18-20)35(4)30(39)29(38)33-23/h5-13,18H,14-17,19H2,1-4H3,(H,32,34)(H,33,38)
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n/an/a 17n/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 receptor


(Rattus norvegicus)
BDBM50244213
PNG
(5-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)
Show SMILES CCn1cc(CN2CCN(CC2)c2cccc3[nH]c(nc23)-c2ccc(cc2)C(C)(C)C)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H34N6O2/c1-5-33-18-20(26(35)31-27(33)36)17-32-13-15-34(16-14-32)23-8-6-7-22-24(23)30-25(29-22)19-9-11-21(12-10-19)28(2,3)4/h6-12,18H,5,13-17H2,1-4H3,(H,29,30)(H,31,35,36)
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n/an/a 18n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 1986-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.043
BindingDB Entry DOI: 10.7270/Q28S4PS4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM50184765
PNG
(CHEMBL3823499)
Show SMILES CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1
Show InChI InChI=1S/C20H19FN4O2S/c1-20(2,3)28(26,27)13-5-7-16-14(11-13)17(8-9-22-16)23-19-15-10-12(21)4-6-18(15)24-25-19/h4-11H,1-3H3,(H2,22,23,24,25)
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n/an/a 18n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RIP2K in MDP-stimulated HEK-293 cells over-expressing NOD2 assessed as IL8 secretion


J Med Chem 59: 4867-80 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00211
BindingDB Entry DOI: 10.7270/Q2G162SQ
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50257561
PNG
(2-(4-tert-butylphenyl)-4-(4-((2-methyl-1-propyl-1H...)
Show SMILES CCCn1cc(CN2CCN(CC2)c2cccc3[nH]c(nc23)-c2ccc(cc2)C(C)(C)C)nc1C
Show InChI InChI=1S/C29H38N6/c1-6-14-35-20-24(30-21(35)2)19-33-15-17-34(18-16-33)26-9-7-8-25-27(26)32-28(31-25)22-10-12-23(13-11-22)29(3,4)5/h7-13,20H,6,14-19H2,1-5H3,(H,31,32)
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n/an/a 18n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 1986-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.043
BindingDB Entry DOI: 10.7270/Q28S4PS4
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50257514
PNG
(2-(4-tert-butylphenyl)-4-(4-((2-ethyl-1-methyl-1H-...)
Show SMILES CCc1nc(CN2CCN(CC2)c2cccc3[nH]c(nc23)-c2ccc(cc2)C(C)(C)C)cn1C
Show InChI InChI=1S/C28H36N6/c1-6-25-29-22(18-32(25)5)19-33-14-16-34(17-15-33)24-9-7-8-23-26(24)31-27(30-23)20-10-12-21(13-11-20)28(2,3)4/h7-13,18H,6,14-17,19H2,1-5H3,(H,30,31)
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n/an/a 18n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 1986-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.043
BindingDB Entry DOI: 10.7270/Q28S4PS4
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50261251
PNG
(2-(4-tert-butylphenyl)-4-(4-((2-ethyl-4-methyl-1H-...)
Show SMILES CCc1nc(C)c(CN2CCN(CC2)c2cccc3[nH]c(nc23)-c2ccc(cc2)C(C)(C)C)[nH]1
Show InChI InChI=1S/C28H36N6/c1-6-25-29-19(2)23(30-25)18-33-14-16-34(17-15-33)24-9-7-8-22-26(24)32-27(31-22)20-10-12-21(13-11-20)28(3,4)5/h7-13H,6,14-18H2,1-5H3,(H,29,30)(H,31,32)
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n/an/a 18n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GNRH receptor assessed as inhibition of D-Trp6-GNRH-induced IP accumulation after 1 hr by rapid filtration a...


Bioorg Med Chem Lett 20: 2512-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.099
BindingDB Entry DOI: 10.7270/Q2W0962G
More data for this
Ligand-Target Pair
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