Found 387 hits with Last Name = 'mehlmann' and Initial = 'jf' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Substance-K receptor
(Homo sapiens (Human)) | BDBM50256882
(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) | PDB
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| 330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
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| 850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50467984
(CHEMBL4293287)Show SMILES COc1cc2nccc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C19H24N4O3S/c1-11-12(2)22-23-18(11)21-14-7-8-20-15-10-16(26-6)17(9-13(14)15)27(24,25)19(3,4)5/h7-10H,1-6H3,(H2,20,21,22,23) | PDB
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| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of full length His/flag-tagged RIPK2 (unknown origin) expressed in baculovirus expression system using fluorescently labeled substrate inc... |
ACS Med Chem Lett 9: 1039-1044 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00344
BindingDB Entry DOI: 10.7270/Q25D8VJV |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50467989
(CHEMBL4282034)Show SMILES CCOc1cc2nccc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C20H26N4O3S/c1-7-27-17-11-16-14(10-18(17)28(25,26)20(4,5)6)15(8-9-21-16)22-19-12(2)13(3)23-24-19/h8-11H,7H2,1-6H3,(H2,21,22,23,24) | PDB
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| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of full length His/flag-tagged RIPK2 (unknown origin) expressed in baculovirus expression system using fluorescently labeled substrate inc... |
ACS Med Chem Lett 9: 1039-1044 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00344
BindingDB Entry DOI: 10.7270/Q25D8VJV |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50244213
(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) | PDB
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| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/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 receptor
(Homo sapiens (Human)) | BDBM50256836
(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) | PDB
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| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50516677
(CHEMBL4514780)Show SMILES CC(C)(C)S(=O)(=O)c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1OCCO Show InChI InChI=1S/C21H22N4O4S2/c1-21(2,3)31(27,28)19-9-14-15(10-17(19)29-7-6-26)22-11-23-20(14)25-13-4-5-18-16(8-13)24-12-30-18/h4-5,8-12,26H,6-7H2,1-3H3,(H,22,23,25) | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of fluorescent-labelled ligand binding to rat RIP2K preincubated for 10 mins followed by fluorescent-labelled ligand addition and measured... |
J Med Chem 62: 6482-6494 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00575
BindingDB Entry DOI: 10.7270/Q2WS8XKF |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Receptor-interacting serine/threonine-protein kinase 2
(Rattus norvegicus) | BDBM50184765
(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) | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50516677
(CHEMBL4514780)Show SMILES CC(C)(C)S(=O)(=O)c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1OCCO Show InChI InChI=1S/C21H22N4O4S2/c1-21(2,3)31(27,28)19-9-14-15(10-17(19)29-7-6-26)22-11-23-20(14)25-13-4-5-18-16(8-13)24-12-30-18/h4-5,8-12,26H,6-7H2,1-3H3,(H,22,23,25) | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full-length FLAG/His-tagged RIP2 measured after 2 hrs by ADP-Glo luminescence assay |
J Med Chem 62: 6482-6494 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00575
BindingDB Entry DOI: 10.7270/Q2WS8XKF |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50315277
(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) | PDB
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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 | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50467986
(CHEMBL4289904)Show SMILES Cc1[nH]nc(Nc2ccnc3cc(OCCO)c(cc23)S(=O)(=O)C(C)(C)C)c1C Show InChI InChI=1S/C20H26N4O4S/c1-12-13(2)23-24-19(12)22-15-6-7-21-16-11-17(28-9-8-25)18(10-14(15)16)29(26,27)20(3,4)5/h6-7,10-11,25H,8-9H2,1-5H3,(H2,21,22,23,24) | PDB
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| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of full length His/flag-tagged RIPK2 (unknown origin) expressed in baculovirus expression system using fluorescently labeled substrate inc... |
ACS Med Chem Lett 9: 1039-1044 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00344
BindingDB Entry DOI: 10.7270/Q25D8VJV |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50467979
(CHEMBL4285837)Show SMILES CCc1cc2nccc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C20H26N4O2S/c1-7-14-10-17-15(11-18(14)27(25,26)20(4,5)6)16(8-9-21-17)22-19-12(2)13(3)23-24-19/h8-11H,7H2,1-6H3,(H2,21,22,23,24) | PDB
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| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of full length His/flag-tagged RIPK2 (unknown origin) expressed in baculovirus expression system using fluorescently labeled substrate inc... |
ACS Med Chem Lett 9: 1039-1044 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00344
BindingDB Entry DOI: 10.7270/Q25D8VJV |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50467980
(CHEMBL4292228)Show SMILES COCCOc1cc2nccc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C21H28N4O4S/c1-13-14(2)24-25-20(13)23-16-7-8-22-17-12-18(29-10-9-28-6)19(11-15(16)17)30(26,27)21(3,4)5/h7-8,11-12H,9-10H2,1-6H3,(H2,22,23,24,25) | PDB
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| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of full length His/flag-tagged RIPK2 (unknown origin) expressed in baculovirus expression system using fluorescently labeled substrate inc... |
ACS Med Chem Lett 9: 1039-1044 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00344
BindingDB Entry DOI: 10.7270/Q25D8VJV |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM25198
(3-[(6-methanesulfonylquinolin-4-yl)amino]-4-methyl...)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) | PDB
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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 Structure (crystal) |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM25198
(3-[(6-methanesulfonylquinolin-4-yl)amino]-4-methyl...)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) | PDB
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| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50256834
(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) | PDB
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| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50244213
(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) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50516676
(CHEMBL4473105)Show SMILES COc1cc2ncnc(Nc3ccc4scnc4c3)c2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C20H20N4O3S2/c1-20(2,3)29(25,26)18-8-13-14(9-16(18)27-4)21-10-22-19(13)24-12-5-6-17-15(7-12)23-11-28-17/h5-11H,1-4H3,(H,21,22,24) | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of fluorescent-labelled ligand binding to human RIP2K preincubated for 10 mins followed by fluorescent-labelled ligand addition and measur... |
J Med Chem 62: 6482-6494 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00575
BindingDB Entry DOI: 10.7270/Q2WS8XKF |
More data for this
Ligand-Target Pair | |
Nucleotide-binding oligomerization domain-containing protein 2
(Homo sapiens (Human)) | BDBM50516677
(CHEMBL4514780)Show SMILES CC(C)(C)S(=O)(=O)c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1OCCO Show InChI InChI=1S/C21H22N4O4S2/c1-21(2,3)31(27,28)19-9-14-15(10-17(19)29-7-6-26)22-11-23-20(14)25-13-4-5-18-16(8-13)24-12-30-18/h4-5,8-12,26H,6-7H2,1-3H3,(H,22,23,25) | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human NOD2 expressed in HEK293 cells assessed as reduction in MDP-induced IL8 production measured after 22 hrs by HTRF fluorescence ass... |
J Med Chem 62: 6482-6494 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00575
BindingDB Entry DOI: 10.7270/Q2WS8XKF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50315276
(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) | PDB
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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 receptor
(Homo sapiens (Human)) | BDBM50244211
(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) | PDB
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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
(Homo sapiens (Human)) | BDBM50184765
(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) | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of full length His/flag-tagged RIPK2 (unknown origin) expressed in baculovirus expression system using fluorescently labeled substrate inc... |
ACS Med Chem Lett 9: 1039-1044 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00344
BindingDB Entry DOI: 10.7270/Q25D8VJV |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50315277
(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) | PDB
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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 | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50516677
(CHEMBL4514780)Show SMILES CC(C)(C)S(=O)(=O)c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1OCCO Show InChI InChI=1S/C21H22N4O4S2/c1-21(2,3)31(27,28)19-9-14-15(10-17(19)29-7-6-26)22-11-23-20(14)25-13-4-5-18-16(8-13)24-12-30-18/h4-5,8-12,26H,6-7H2,1-3H3,(H,22,23,25) | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of fluorescent-labelled ligand binding to human RIP2K preincubated for 10 mins followed by fluorescent-labelled ligand addition and measur... |
J Med Chem 62: 6482-6494 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00575
BindingDB Entry DOI: 10.7270/Q2WS8XKF |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50467980
(CHEMBL4292228)Show SMILES COCCOc1cc2nccc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C21H28N4O4S/c1-13-14(2)24-25-20(13)23-16-7-8-22-17-12-18(29-10-9-28-6)19(11-15(16)17)30(26,27)21(3,4)5/h7-8,11-12H,9-10H2,1-6H3,(H2,22,23,24,25) | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of RIPK2 in human whole blood assessed as reduction in MDP-stimulated TNFalpha levels incubated for 30 mins followed by MDP addition measu... |
ACS Med Chem Lett 9: 1039-1044 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00344
BindingDB Entry DOI: 10.7270/Q25D8VJV |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50184765
(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) | PDB
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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 receptor
(Homo sapiens (Human)) | BDBM50256835
(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) | PDB
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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
(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) | KEGG
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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 receptor
(Homo sapiens (Human)) | BDBM50258205
(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) | PDB
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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 | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50184479
(CHEMBL3822791)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) | PDB
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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 | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50467982
(CHEMBL4281602)Show SMILES Cc1[nH]nc(Nc2ccnc3cc(OC(F)(F)F)c(cc23)S(=O)(=O)C(C)(C)C)c1C Show InChI InChI=1S/C19H21F3N4O3S/c1-10-11(2)25-26-17(10)24-13-6-7-23-14-9-15(29-19(20,21)22)16(8-12(13)14)30(27,28)18(3,4)5/h6-9H,1-5H3,(H2,23,24,25,26) | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of full length His/flag-tagged RIPK2 (unknown origin) expressed in baculovirus expression system using fluorescently labeled substrate inc... |
ACS Med Chem Lett 9: 1039-1044 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00344
BindingDB Entry DOI: 10.7270/Q25D8VJV |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50467988
(CHEMBL4285462)Show SMILES Cc1[nH]nc(Nc2ccnc3ccc(cc23)S(=O)(=O)C(C)(C)C)c1C Show InChI InChI=1S/C18H22N4O2S/c1-11-12(2)21-22-17(11)20-16-8-9-19-15-7-6-13(10-14(15)16)25(23,24)18(3,4)5/h6-10H,1-5H3,(H2,19,20,21,22) | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of full length His/flag-tagged RIPK2 (unknown origin) expressed in baculovirus expression system using fluorescently labeled substrate inc... |
ACS Med Chem Lett 9: 1039-1044 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00344
BindingDB Entry DOI: 10.7270/Q25D8VJV |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50315275
(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 | PDB
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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 receptor
(Homo sapiens (Human)) | BDBM50258205
(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) | PDB
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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 receptor
(Homo sapiens (Human)) | BDBM50256834
(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) | PDB
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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
(Homo sapiens (Human)) | BDBM50258018
(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) | PDB
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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 | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50184727
(CHEMBL3822938)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) | PDB
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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 receptor
(Homo sapiens (Human)) | BDBM50257669
(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) | PDB
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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 receptor
(Homo sapiens (Human)) | BDBM50244211
(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) | PDB
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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
(Homo sapiens (Human)) | BDBM50256836
(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) | PDB
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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
(Homo sapiens (Human)) | BDBM50315271
(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) | PDB
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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 | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM25195
(4-methyl-3-{[6-(pyridin-3-yl)quinolin-4-yl]amino}p...)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) | PDB
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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 | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50184764
(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) | PDB
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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 receptor
(Homo sapiens (Human)) | BDBM50257513
(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) | PDB
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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 receptor
(Homo sapiens (Human)) | BDBM50257516
(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) | PDB
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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 receptor
(Homo sapiens (Human)) | BDBM50261251
(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) | PDB
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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 | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50467984
(CHEMBL4293287)Show SMILES COc1cc2nccc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C19H24N4O3S/c1-11-12(2)22-23-18(11)21-14-7-8-20-15-10-16(26-6)17(9-13(14)15)27(24,25)19(3,4)5/h7-10H,1-6H3,(H2,20,21,22,23) | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of RIPK2 in human whole blood assessed as reduction in MDP-stimulated TNFalpha levels incubated for 30 mins followed by MDP addition measu... |
ACS Med Chem Lett 9: 1039-1044 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00344
BindingDB Entry DOI: 10.7270/Q25D8VJV |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50257668
(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) | PDB
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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 receptor
(Homo sapiens (Human)) | BDBM50256882
(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) | PDB
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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
(Homo sapiens (Human)) | BDBM50258245
(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) | PDB
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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 | |
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