Found 55 hits of Enzyme Inhibition Constant Data 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 |
|---|
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171818
(4-[1-(4-tert-Butyl-cyclohexyl)-3-(4-trifluorometho...)Show SMILES CC(C)(C)C1CCC(CC1)N(Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |(-1.28,-4.62,;-2.05,-3.29,;-2.82,-1.94,;-3.4,-4.04,;-.72,-2.5,;.17,-.87,;1.62,-1.75,;4.02,-1.82,;2.92,-2.9,;2.08,-2.5,;5.35,-2.59,;5.35,-4.13,;6.68,-4.88,;6.68,-6.44,;8.01,-7.21,;9.34,-6.44,;9.34,-4.88,;8.01,-4.11,;10.69,-7.21,;10.69,-8.75,;12.02,-6.42,;13.35,-7.19,;14.85,-6.84,;15.64,-8.14,;14.66,-9.32,;13.24,-8.73,;6.68,-1.8,;6.68,-.26,;8.01,-2.57,;9.34,-1.8,;9.34,-.28,;10.67,.49,;12,-.28,;13.33,.49,;14.68,-.26,;13.89,-1.59,;16.01,-1.03,;15.43,1.07,;12,-1.82,;10.67,-2.59,)| Show InChI InChI=1S/C27H32F3N7O3/c1-26(2,3)19-8-12-21(13-9-19)37(25(39)31-20-10-14-22(15-11-20)40-27(28,29)30)16-17-4-6-18(7-5-17)23(38)32-24-33-35-36-34-24/h4-7,10-11,14-15,19,21H,8-9,12-13,16H2,1-3H3,(H,31,39)(H2,32,33,34,35,36,38) | PDB
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| CHEMBL
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity against human glucagon receptor expressed in CHO cell membranes using [125I]glucagon |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171817
(3-(4-((1-(4-tert-butylcyclohexyl)-3-(4-(trifluorom...)Show SMILES CC(C)(C)C1CCC(CC1)N(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(OC(F)(F)F)cc1 |(6.78,6.58,;6.79,5.04,;8.33,5.04,;5.25,5.03,;6.79,3.5,;8.12,2.72,;8.12,1.19,;6.78,.42,;5.45,1.18,;5.45,2.73,;6.78,-1.12,;5.45,-1.89,;4.11,-1.12,;2.78,-1.9,;1.44,-1.12,;1.44,.42,;2.77,1.19,;4.11,.43,;.11,1.19,;.11,2.73,;-1.22,.42,;-2.56,1.19,;-3.89,.42,;-5.22,1.19,;-5.23,2.73,;-6.56,.42,;8.12,-1.89,;8.12,-3.43,;9.45,-1.12,;10.78,-1.88,;10.78,-3.42,;12.11,-4.19,;13.44,-3.42,;14.78,-4.19,;14.79,-5.73,;14.77,-7.26,;16.33,-5.73,;13.25,-5.72,;13.44,-1.87,;12.1,-1.11,)| Show InChI InChI=1S/C29H36F3N3O5/c1-28(2,3)21-8-12-23(13-9-21)35(27(39)34-22-10-14-24(15-11-22)40-29(30,31)32)18-19-4-6-20(7-5-19)26(38)33-17-16-25(36)37/h4-7,10-11,14-15,21,23H,8-9,12-13,16-18H2,1-3H3,(H,33,38)(H,34,39)(H,36,37) | PDB
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| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity against human glucagon receptor expressed in CHO cell membranes using [125I]glucagon |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171839
(4-{3-[1-(4-Bromo-phenyl)-ethyl]-8-tert-butyl-2-oxo...)Show SMILES CC(N1CC2(CCC(CC2)C(C)(C)C)N(Cc2ccc(cc2)C(=O)Nc2nnn[nH]2)C1=O)c1ccc(Br)cc1 |(3.96,-.6,;2.45,-.45,;1.54,-1.68,;.01,-1.68,;-.46,-3.15,;-2.69,-3.43,;-4.2,-2.5,;-5.41,-4.19,;-3.21,-3.89,;-1.76,-4.42,;-6.5,-5.26,;-5.42,-6.36,;-7.6,-6.36,;-7.6,-4.17,;.78,-4.05,;.78,-5.58,;2.1,-6.35,;3.43,-5.57,;4.77,-6.33,;4.77,-7.88,;3.43,-8.65,;2.1,-7.88,;6.1,-8.65,;6.1,-10.19,;7.43,-7.87,;8.75,-8.64,;8.93,-10.16,;10.43,-10.47,;11.19,-9.15,;10.16,-8.01,;2.02,-3.15,;3.47,-3.63,;1.82,.95,;.31,1.11,;-.32,2.5,;.58,3.76,;-.04,5.16,;2.12,3.6,;2.73,2.2,)| Show InChI InChI=1S/C29H36BrN7O2/c1-19(21-9-11-24(30)12-10-21)36-18-29(15-13-23(14-16-29)28(2,3)4)37(27(36)39)17-20-5-7-22(8-6-20)25(38)31-26-32-34-35-33-26/h5-12,19,23H,13-18H2,1-4H3,(H2,31,32,33,34,35,38) | PDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity against human glucagon receptor expressed in CHO cell membranes using [125I]glucagon |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171814
(4-[8-tert-Butyl-2-oxo-3-(3-trifluoromethoxy-phenyl...)Show SMILES CC(C)(C)C1CCC2(CN(C(=O)N2Cc2ccc(cc2)C(=O)Nc2nnn[nH]2)c2cccc(OC(F)(F)F)c2)CC1 |(-8.31,-7.74,;-7.2,-6.66,;-8.31,-5.57,;-6.12,-7.74,;-6.1,-5.58,;-3.91,-5.27,;-2.44,-5.81,;-1.14,-4.53,;-.67,-3.08,;.87,-3.08,;1.34,-4.53,;2.8,-5.02,;.1,-5.44,;.1,-6.97,;1.43,-7.73,;1.43,-9.28,;2.76,-10.05,;4.08,-9.28,;4.08,-7.73,;2.76,-6.97,;5.43,-10.05,;5.43,-11.59,;6.76,-9.27,;8.09,-10.04,;8.26,-11.56,;9.76,-11.88,;10.53,-10.55,;9.49,-9.41,;1.77,-1.83,;1.15,-.43,;2.03,.81,;3.57,.65,;4.2,-.75,;5.74,-.92,;6.36,-2.31,;5.02,-3.08,;7.11,-3.64,;7.69,-1.54,;3.29,-1.99,;-3.37,-4.81,;-4.88,-3.88,)| Show InChI InChI=1S/C28H32F3N7O3/c1-26(2,3)20-11-13-27(14-12-20)17-37(21-5-4-6-22(15-21)41-28(29,30)31)25(40)38(27)16-18-7-9-19(10-8-18)23(39)32-24-33-35-36-34-24/h4-10,15,20H,11-14,16-17H2,1-3H3,(H2,32,33,34,35,36,39) | PDB
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| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against glucagon-induced cAMP accumulation in human glucagon receptor transfected CHO cells |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171819
(4-[9-tert-Butyl-2-oxo-3-(4-trifluoromethoxy-phenyl...)Show SMILES CC(C)(C)C1CCC2(CC1)CCN(C(=O)N2Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)c1ccc(OC(F)(F)F)cc1 |(-2.46,-2.45,;-3.55,-1.37,;-4.65,-2.45,;-4.65,-.28,;-2.46,-.29,;-.25,.02,;1.21,-.52,;2.5,.76,;.28,.48,;-1.23,1.41,;2.51,2.3,;3.85,3.05,;5.17,2.28,;5.17,.76,;6.5,-.02,;3.82,-.02,;3.82,-1.56,;5.15,-2.33,;5.15,-3.86,;6.48,-4.63,;7.82,-3.86,;7.82,-2.31,;6.48,-1.54,;9.15,-4.63,;9.15,-6.17,;10.48,-3.85,;11.81,-4.62,;13.22,-3.99,;14.25,-5.13,;13.48,-6.45,;11.98,-6.14,;6.5,3.04,;6.5,4.58,;7.83,5.34,;9.17,4.58,;10.5,5.33,;11.83,4.55,;11.05,3.23,;13.16,3.79,;12.59,5.9,;9.15,3.03,;7.83,2.27,)| Show InChI InChI=1S/C29H34F3N7O3/c1-27(2,3)21-12-14-28(15-13-21)16-17-38(22-8-10-23(11-9-22)42-29(30,31)32)26(41)39(28)18-19-4-6-20(7-5-19)24(40)33-25-34-36-37-35-25/h4-11,21H,12-18H2,1-3H3,(H2,33,34,35,36,37,40) | PDB
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| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity against human glucagon receptor expressed in CHO cell membranes using [125I]glucagon |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171829
(4-[8-tert-Butyl-3-(3,5-dichloro-phenyl)-2-oxo-1,3-...)Show SMILES CC(C)(C)C1CCC2(CN(C(=O)N2Cc2ccc(cc2)C(=O)Nc2nnn[nH]2)c2cc(Cl)cc(Cl)c2)CC1 |(-7.08,-3.45,;-5.98,-4.54,;-4.89,-5.63,;-7.08,-5.63,;-4.89,-3.46,;-3.67,-1.77,;-2.16,-2.7,;.05,-2.42,;.53,-.96,;2.07,-.96,;2.54,-2.42,;4,-2.9,;1.3,-3.32,;1.3,-4.85,;2.62,-5.62,;2.62,-7.15,;3.95,-7.9,;5.28,-7.15,;5.28,-5.61,;3.95,-4.84,;6.6,-7.9,;6.6,-9.45,;7.93,-7.14,;9.27,-7.9,;9.44,-9.43,;10.92,-9.74,;11.69,-8.42,;10.67,-7.28,;2.96,.27,;4.49,.11,;5.4,1.35,;6.92,1.18,;4.77,2.76,;3.24,2.9,;2.61,4.31,;2.35,1.66,;-1.23,-3.69,;-2.69,-3.17,)| Show InChI InChI=1S/C27H31Cl2N7O2/c1-26(2,3)19-8-10-27(11-9-19)16-35(22-13-20(28)12-21(29)14-22)25(38)36(27)15-17-4-6-18(7-5-17)23(37)30-24-31-33-34-32-24/h4-7,12-14,19H,8-11,15-16H2,1-3H3,(H2,30,31,32,33,34,37) | PDB
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| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity against human glucagon receptor expressed in CHO cell membranes using [125I]glucagon |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171820
(3-{4-[8-tert-Butyl-3-(3,5-dichloro-phenyl)-2-oxo-1...)Show SMILES CC(C)(C)C1CCC2(CN(C(=O)N2Cc2ccc(cc2)C(=O)NCCC(O)=O)c2cc(Cl)cc(Cl)c2)CC1 |(14.12,-8.74,;15.21,-9.83,;16.3,-10.92,;14.12,-10.92,;16.3,-8.74,;17.52,-7.05,;19.03,-7.99,;21.26,-7.69,;21.73,-6.25,;23.27,-6.25,;23.75,-7.69,;25.2,-8.18,;22.5,-8.6,;22.5,-10.14,;23.82,-10.9,;23.82,-12.44,;25.15,-13.21,;26.49,-12.44,;26.49,-10.9,;25.15,-10.14,;27.83,-13.21,;27.83,-14.74,;29.16,-12.44,;30.48,-13.21,;31.81,-12.44,;33.15,-13.21,;33.15,-14.74,;34.48,-12.43,;24.17,-5.01,;25.7,-5.17,;26.61,-3.92,;28.13,-4.08,;25.98,-2.52,;24.45,-2.36,;23.82,-.96,;23.55,-3.61,;19.96,-8.97,;18.51,-8.45,)| Show InChI InChI=1S/C29H35Cl2N3O4/c1-28(2,3)21-8-11-29(12-9-21)18-33(24-15-22(30)14-23(31)16-24)27(38)34(29)17-19-4-6-20(7-5-19)26(37)32-13-10-25(35)36/h4-7,14-16,21H,8-13,17-18H2,1-3H3,(H,32,37)(H,35,36) | PDB
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| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity against human glucagon receptor expressed in CHO cell membranes using [125I]glucagon |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171818
(4-[1-(4-tert-Butyl-cyclohexyl)-3-(4-trifluorometho...)Show SMILES CC(C)(C)C1CCC(CC1)N(Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |(-1.28,-4.62,;-2.05,-3.29,;-2.82,-1.94,;-3.4,-4.04,;-.72,-2.5,;.17,-.87,;1.62,-1.75,;4.02,-1.82,;2.92,-2.9,;2.08,-2.5,;5.35,-2.59,;5.35,-4.13,;6.68,-4.88,;6.68,-6.44,;8.01,-7.21,;9.34,-6.44,;9.34,-4.88,;8.01,-4.11,;10.69,-7.21,;10.69,-8.75,;12.02,-6.42,;13.35,-7.19,;14.85,-6.84,;15.64,-8.14,;14.66,-9.32,;13.24,-8.73,;6.68,-1.8,;6.68,-.26,;8.01,-2.57,;9.34,-1.8,;9.34,-.28,;10.67,.49,;12,-.28,;13.33,.49,;14.68,-.26,;13.89,-1.59,;16.01,-1.03,;15.43,1.07,;12,-1.82,;10.67,-2.59,)| Show InChI InChI=1S/C27H32F3N7O3/c1-26(2,3)19-8-12-21(13-9-19)37(25(39)31-20-10-14-22(15-11-20)40-27(28,29)30)16-17-4-6-18(7-5-17)23(38)32-24-33-35-36-34-24/h4-7,10-11,14-15,19,21H,8-9,12-13,16H2,1-3H3,(H,31,39)(H2,32,33,34,35,36,38) | PDB
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| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against glucagon-induced cAMP accumulation in human glucagon receptor transfected CHO cells |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171834
(3-{4-[8-tert-Butyl-2-oxo-3-(3-trifluoromethoxy-phe...)Show SMILES CC(C)(C)C1CCC2(CN(C(=O)N2Cc2ccc(cc2)C(=O)NCCC(O)=O)c2cccc(OC(F)(F)F)c2)CC1 |(13.63,-10.18,;14.72,-9.1,;13.63,-8,;15.8,-10.18,;15.82,-8.01,;18.02,-7.71,;19.49,-8.24,;20.79,-6.96,;21.26,-5.51,;22.8,-5.51,;23.27,-6.96,;24.74,-7.45,;22.03,-7.87,;22.03,-9.41,;23.36,-10.17,;23.36,-11.72,;24.69,-12.49,;26.02,-11.72,;26.02,-10.17,;24.69,-9.4,;27.37,-12.49,;27.37,-14.03,;28.7,-11.71,;30.04,-12.48,;31.37,-11.71,;32.7,-12.48,;32.7,-14.02,;34.03,-11.7,;23.71,-4.25,;23.08,-2.85,;23.97,-1.62,;25.51,-1.77,;26.14,-3.18,;27.68,-3.34,;28.58,-2.08,;30.06,-2.48,;27.24,-1.31,;29.34,-.75,;25.23,-4.42,;18.56,-7.24,;17.04,-6.31,)| Show InChI InChI=1S/C30H36F3N3O5/c1-28(2,3)22-11-14-29(15-12-22)19-35(23-5-4-6-24(17-23)41-30(31,32)33)27(40)36(29)18-20-7-9-21(10-8-20)26(39)34-16-13-25(37)38/h4-10,17,22H,11-16,18-19H2,1-3H3,(H,34,39)(H,37,38) | PDB
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| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against glucagon-induced cAMP accumulation in human glucagon receptor transfected CHO cells |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171828
(4-[8-tert-Butyl-3-(3,4-difluoro-phenyl)-2-oxo-1,3-...)Show SMILES CC(C)(C)C1CCC2(CN(C(=O)N2Cc2ccc(cc2)C(=O)Nc2nnn[nH]2)c2ccc(F)c(F)c2)CC1 |(-7.42,-4.52,;-6.33,-5.61,;-5.23,-6.69,;-7.42,-6.69,;-5.23,-4.52,;-4,-2.83,;-2.49,-3.76,;-.27,-3.48,;.21,-2.03,;1.75,-2.03,;2.22,-3.48,;3.68,-3.97,;.98,-4.39,;.98,-5.92,;2.3,-6.68,;2.3,-8.23,;3.63,-9,;4.97,-8.23,;4.97,-6.68,;3.63,-5.91,;6.29,-9,;6.29,-10.53,;7.62,-8.22,;8.96,-8.99,;9.13,-10.51,;10.63,-10.83,;11.39,-9.5,;10.37,-8.36,;2.64,-.78,;2.03,.62,;2.92,1.85,;4.45,1.7,;5.36,2.95,;5.08,.29,;6.61,.13,;4.18,-.94,;-1.56,-4.76,;-3.02,-4.22,)| Show InChI InChI=1S/C27H31F2N7O2/c1-26(2,3)19-10-12-27(13-11-19)16-35(20-8-9-21(28)22(29)14-20)25(38)36(27)15-17-4-6-18(7-5-17)23(37)30-24-31-33-34-32-24/h4-9,14,19H,10-13,15-16H2,1-3H3,(H2,30,31,32,33,34,37) | PDB
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| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against glucagon-induced cAMP accumulation in human glucagon receptor transfected CHO cells |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171835
(4-[9-tert-Butyl-2-oxo-3-(4-trifluoromethoxy-phenyl...)Show SMILES CC(C)(C)C1CCC2(CC1)CCN(C(=O)N2Cc1ccc(cc1)C(=O)NCc1nnn[nH]1)c1ccc(OC(F)(F)F)cc1 |(-4.31,-6.3,;-3.21,-5.21,;-4.31,-4.11,;-2.11,-6.3,;-2.11,-4.13,;-.89,-2.43,;.63,-3.36,;2.85,-3.08,;1.56,-4.36,;.1,-3.82,;2.87,-1.54,;4.21,-.78,;5.54,-1.55,;5.53,-3.08,;6.86,-3.86,;4.18,-3.86,;4.18,-5.4,;5.51,-6.16,;5.51,-7.7,;6.84,-8.47,;8.19,-7.7,;8.19,-6.16,;6.84,-5.39,;9.52,-8.47,;9.52,-10.01,;10.85,-7.7,;12.18,-8.47,;12.2,-10.01,;10.97,-10.92,;11.47,-12.38,;13.01,-12.36,;13.46,-10.89,;6.86,-.79,;8.19,-1.56,;9.52,-.8,;9.54,.74,;10.88,1.51,;12.21,.72,;13.53,-.03,;12.97,2.08,;11.43,-.59,;8.19,1.52,;6.86,.75,)| Show InChI InChI=1S/C30H36F3N7O3/c1-28(2,3)22-12-14-29(15-13-22)16-17-39(23-8-10-24(11-9-23)43-30(31,32)33)27(42)40(29)19-20-4-6-21(7-5-20)26(41)34-18-25-35-37-38-36-25/h4-11,22H,12-19H2,1-3H3,(H,34,41)(H,35,36,37,38) | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity against human glucagon receptor expressed in CHO cell membranes using [125I]glucagon |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171819
(4-[9-tert-Butyl-2-oxo-3-(4-trifluoromethoxy-phenyl...)Show SMILES CC(C)(C)C1CCC2(CC1)CCN(C(=O)N2Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)c1ccc(OC(F)(F)F)cc1 |(-2.46,-2.45,;-3.55,-1.37,;-4.65,-2.45,;-4.65,-.28,;-2.46,-.29,;-.25,.02,;1.21,-.52,;2.5,.76,;.28,.48,;-1.23,1.41,;2.51,2.3,;3.85,3.05,;5.17,2.28,;5.17,.76,;6.5,-.02,;3.82,-.02,;3.82,-1.56,;5.15,-2.33,;5.15,-3.86,;6.48,-4.63,;7.82,-3.86,;7.82,-2.31,;6.48,-1.54,;9.15,-4.63,;9.15,-6.17,;10.48,-3.85,;11.81,-4.62,;13.22,-3.99,;14.25,-5.13,;13.48,-6.45,;11.98,-6.14,;6.5,3.04,;6.5,4.58,;7.83,5.34,;9.17,4.58,;10.5,5.33,;11.83,4.55,;11.05,3.23,;13.16,3.79,;12.59,5.9,;9.15,3.03,;7.83,2.27,)| Show InChI InChI=1S/C29H34F3N7O3/c1-27(2,3)21-12-14-28(15-13-21)16-17-38(22-8-10-23(11-9-22)42-29(30,31)32)26(41)39(28)18-19-4-6-20(7-5-19)24(40)33-25-34-36-37-35-25/h4-11,21H,12-18H2,1-3H3,(H2,33,34,35,36,37,40) | PDB
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| n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against glucagon-induced cAMP accumulation in human glucagon receptor transfected CHO cells |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171825
(4-[8-tert-Butyl-3-(3-chloro-phenyl)-2-oxo-1,3-diaz...)Show SMILES CC(C)(C)C1CCC2(CN(C(=O)N2Cc2ccc(cc2)C(=O)Nc2nnn[nH]2)c2cccc(Cl)c2)CC1 |(2.25,-7.02,;1.17,-5.92,;.08,-7.02,;.08,-4.83,;2.26,-4.86,;3.47,-3.16,;4.97,-4.09,;7.2,-3.81,;7.66,-2.35,;9.2,-2.35,;9.68,-3.81,;11.12,-4.3,;8.43,-4.72,;8.43,-6.25,;9.75,-7.02,;11.08,-6.23,;12.41,-6.99,;12.41,-8.55,;11.08,-9.31,;9.75,-8.55,;13.74,-9.31,;13.74,-10.84,;15.07,-8.52,;16.39,-9.29,;16.57,-10.82,;18.06,-11.12,;18.83,-9.8,;17.8,-8.66,;10.1,-1.12,;9.47,.27,;10.36,1.5,;11.9,1.36,;12.53,-.05,;14.05,-.22,;11.62,-1.28,;5.9,-5.09,;4.45,-4.56,)| Show InChI InChI=1S/C27H32ClN7O2/c1-26(2,3)20-11-13-27(14-12-20)17-34(22-6-4-5-21(28)15-22)25(37)35(27)16-18-7-9-19(10-8-18)23(36)29-24-30-32-33-31-24/h4-10,15,20H,11-14,16-17H2,1-3H3,(H2,29,30,31,32,33,36) | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity against human glucagon receptor expressed in CHO cell membranes using [125I]glucagon |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171836
(4-[8-tert-Butyl-2-oxo-3-(4-trifluoromethoxy-phenyl...)Show SMILES CC(C)(C)C1CCC2(CN(C(=O)N2Cc2ccc(cc2)C(=O)Nc2nnn[nH]2)c2ccc(OC(F)(F)F)cc2)CC1 |(1.68,-3.86,;2.78,-2.76,;1.68,-1.66,;3.86,-3.86,;3.86,-1.68,;5.09,.02,;6.61,-.92,;8.84,-.64,;10.18,1.67,;11.51,.9,;11.51,-.64,;12.84,-1.41,;10.17,-1.41,;10.17,-2.95,;11.5,-3.72,;11.5,-5.26,;12.83,-6.03,;14.17,-5.26,;14.17,-3.72,;12.83,-2.95,;15.5,-6.03,;15.5,-7.57,;16.83,-5.26,;18.18,-6.03,;19.58,-5.4,;20.61,-6.54,;19.84,-7.87,;18.35,-7.54,;12.86,1.66,;14.17,.88,;15.52,1.65,;15.52,3.19,;16.85,3.96,;18.18,3.17,;19.51,2.42,;18.95,4.52,;17.41,1.86,;14.19,3.96,;12.86,3.19,;7.54,-1.91,;6.07,-1.38,)| Show InChI InChI=1S/C28H32F3N7O3/c1-26(2,3)20-12-14-27(15-13-20)17-37(21-8-10-22(11-9-21)41-28(29,30)31)25(40)38(27)16-18-4-6-19(7-5-18)23(39)32-24-33-35-36-34-24/h4-11,20H,12-17H2,1-3H3,(H2,32,33,34,35,36,39) | PDB
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| n/a | n/a | 105 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity against human glucagon receptor expressed in CHO cell membranes using [125I]glucagon |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171831
(4-[8-tert-Butyl-2-oxo-3-(4-trifluoromethyl-phenyl)...)Show SMILES CC(C)(C)C1CCC2(CN(C(=O)N2Cc2ccc(cc2)C(=O)Nc2nnn[nH]2)c2ccc(cc2)C(F)(F)F)CC1 |(-6.93,-7.82,;-5.83,-6.73,;-6.93,-5.63,;-4.75,-7.82,;-4.74,-5.63,;-3.52,-3.94,;-2,-4.88,;.23,-4.6,;.71,-3.13,;2.25,-3.13,;2.71,-4.6,;4.18,-5.07,;1.48,-5.49,;1.48,-7.03,;2.81,-7.8,;2.81,-9.34,;4.14,-10.11,;5.47,-9.34,;5.47,-7.8,;4.14,-7.03,;6.81,-10.11,;6.81,-11.65,;8.14,-9.34,;9.48,-10.11,;9.64,-11.63,;11.15,-11.95,;11.92,-10.62,;10.88,-9.48,;3.15,-1.89,;2.53,-.49,;3.41,.76,;4.95,.6,;5.58,-.8,;4.67,-2.05,;5.86,1.86,;7.19,1.09,;6.74,3.15,;4.53,2.63,;-1.07,-5.86,;-2.54,-5.34,)| Show InChI InChI=1S/C28H32F3N7O2/c1-26(2,3)20-12-14-27(15-13-20)17-37(22-10-8-21(9-11-22)28(29,30)31)25(40)38(27)16-18-4-6-19(7-5-18)23(39)32-24-33-35-36-34-24/h4-11,20H,12-17H2,1-3H3,(H2,32,33,34,35,36,39) | PDB
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| n/a | n/a | 113 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against glucagon-induced cAMP accumulation in human glucagon receptor transfected CHO cells |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171815
(4-[8-tert-Butyl-3-(4-chloro-phenyl)-2-oxo-1,3-diaz...)Show SMILES CC(C)(C)C1CCC2(CN(C(=O)N2Cc2ccc(cc2)C(=O)Nc2nnn[nH]2)c2ccc(Cl)cc2)CC1 |(-7.08,-5.63,;-5.99,-4.54,;-7.08,-3.45,;-4.9,-5.63,;-4.9,-3.46,;-2.69,-3.17,;-1.23,-3.7,;.05,-2.43,;.53,-.96,;2.07,-.96,;2.54,-2.43,;4,-2.91,;1.3,-3.32,;1.3,-4.86,;2.63,-5.63,;2.63,-7.16,;3.95,-7.91,;5.28,-7.16,;5.28,-5.61,;3.95,-4.84,;6.61,-7.91,;6.61,-9.46,;7.93,-7.14,;9.27,-7.91,;9.45,-9.44,;10.93,-9.75,;11.7,-8.42,;10.68,-7.28,;2.96,.27,;2.35,1.67,;3.24,2.91,;4.77,2.76,;5.67,4,;5.4,1.35,;4.49,.11,;-2.16,-2.7,;-3.67,-1.77,)| Show InChI InChI=1S/C27H32ClN7O2/c1-26(2,3)20-12-14-27(15-13-20)17-34(22-10-8-21(28)9-11-22)25(37)35(27)16-18-4-6-19(7-5-18)23(36)29-24-30-32-33-31-24/h4-11,20H,12-17H2,1-3H3,(H2,29,30,31,32,33,36) | PDB
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| n/a | n/a | 116 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity against human glucagon receptor expressed in CHO cell membranes using [125I]glucagon |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171829
(4-[8-tert-Butyl-3-(3,5-dichloro-phenyl)-2-oxo-1,3-...)Show SMILES CC(C)(C)C1CCC2(CN(C(=O)N2Cc2ccc(cc2)C(=O)Nc2nnn[nH]2)c2cc(Cl)cc(Cl)c2)CC1 |(-7.08,-3.45,;-5.98,-4.54,;-4.89,-5.63,;-7.08,-5.63,;-4.89,-3.46,;-3.67,-1.77,;-2.16,-2.7,;.05,-2.42,;.53,-.96,;2.07,-.96,;2.54,-2.42,;4,-2.9,;1.3,-3.32,;1.3,-4.85,;2.62,-5.62,;2.62,-7.15,;3.95,-7.9,;5.28,-7.15,;5.28,-5.61,;3.95,-4.84,;6.6,-7.9,;6.6,-9.45,;7.93,-7.14,;9.27,-7.9,;9.44,-9.43,;10.92,-9.74,;11.69,-8.42,;10.67,-7.28,;2.96,.27,;4.49,.11,;5.4,1.35,;6.92,1.18,;4.77,2.76,;3.24,2.9,;2.61,4.31,;2.35,1.66,;-1.23,-3.69,;-2.69,-3.17,)| Show InChI InChI=1S/C27H31Cl2N7O2/c1-26(2,3)19-8-10-27(11-9-19)16-35(22-13-20(28)12-21(29)14-22)25(38)36(27)15-17-4-6-18(7-5-17)23(37)30-24-31-33-34-32-24/h4-7,12-14,19H,8-11,15-16H2,1-3H3,(H2,30,31,32,33,34,37) | PDB
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| n/a | n/a | 116 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against glucagon-induced cAMP accumulation in human glucagon receptor transfected CHO cells |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171831
(4-[8-tert-Butyl-2-oxo-3-(4-trifluoromethyl-phenyl)...)Show SMILES CC(C)(C)C1CCC2(CN(C(=O)N2Cc2ccc(cc2)C(=O)Nc2nnn[nH]2)c2ccc(cc2)C(F)(F)F)CC1 |(-6.93,-7.82,;-5.83,-6.73,;-6.93,-5.63,;-4.75,-7.82,;-4.74,-5.63,;-3.52,-3.94,;-2,-4.88,;.23,-4.6,;.71,-3.13,;2.25,-3.13,;2.71,-4.6,;4.18,-5.07,;1.48,-5.49,;1.48,-7.03,;2.81,-7.8,;2.81,-9.34,;4.14,-10.11,;5.47,-9.34,;5.47,-7.8,;4.14,-7.03,;6.81,-10.11,;6.81,-11.65,;8.14,-9.34,;9.48,-10.11,;9.64,-11.63,;11.15,-11.95,;11.92,-10.62,;10.88,-9.48,;3.15,-1.89,;2.53,-.49,;3.41,.76,;4.95,.6,;5.58,-.8,;4.67,-2.05,;5.86,1.86,;7.19,1.09,;6.74,3.15,;4.53,2.63,;-1.07,-5.86,;-2.54,-5.34,)| Show InChI InChI=1S/C28H32F3N7O2/c1-26(2,3)20-12-14-27(15-13-20)17-37(22-10-8-21(9-11-22)28(29,30)31)25(40)38(27)16-18-4-6-19(7-5-18)23(39)32-24-33-35-36-34-24/h4-11,20H,12-17H2,1-3H3,(H2,32,33,34,35,36,39) | PDB
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| n/a | n/a | 135 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against glucagon-induced cAMP accumulation in human glucagon receptor transfected CHO cells |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171817
(3-(4-((1-(4-tert-butylcyclohexyl)-3-(4-(trifluorom...)Show SMILES CC(C)(C)C1CCC(CC1)N(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(OC(F)(F)F)cc1 |(6.78,6.58,;6.79,5.04,;8.33,5.04,;5.25,5.03,;6.79,3.5,;8.12,2.72,;8.12,1.19,;6.78,.42,;5.45,1.18,;5.45,2.73,;6.78,-1.12,;5.45,-1.89,;4.11,-1.12,;2.78,-1.9,;1.44,-1.12,;1.44,.42,;2.77,1.19,;4.11,.43,;.11,1.19,;.11,2.73,;-1.22,.42,;-2.56,1.19,;-3.89,.42,;-5.22,1.19,;-5.23,2.73,;-6.56,.42,;8.12,-1.89,;8.12,-3.43,;9.45,-1.12,;10.78,-1.88,;10.78,-3.42,;12.11,-4.19,;13.44,-3.42,;14.78,-4.19,;14.79,-5.73,;14.77,-7.26,;16.33,-5.73,;13.25,-5.72,;13.44,-1.87,;12.1,-1.11,)| Show InChI InChI=1S/C29H36F3N3O5/c1-28(2,3)21-8-12-23(13-9-21)35(27(39)34-22-10-14-24(15-11-22)40-29(30,31)32)18-19-4-6-20(7-5-19)26(38)33-17-16-25(36)37/h4-7,10-11,14-15,21,23H,8-9,12-13,16-18H2,1-3H3,(H,33,38)(H,34,39)(H,36,37) | PDB
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| n/a | n/a | 144 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against glucagon-induced cAMP accumulation in human glucagon receptor transfected CHO cells |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171824
(4-[3-(4-Bromo-phenyl)-8-tert-butyl-2-oxo-1,3-diaza...)Show SMILES CC(C)(C)C1CCC2(CN(C(=O)N2Cc2ccc(cc2)C(=O)Nc2nnn[nH]2)c2ccc(Br)cc2)CC1 |(-6.93,-7.82,;-5.83,-6.73,;-6.93,-5.63,;-4.75,-7.82,;-4.74,-5.63,;-2.54,-5.34,;-1.07,-5.86,;.23,-4.6,;.71,-3.13,;2.25,-3.13,;2.71,-4.6,;4.18,-5.07,;1.48,-5.49,;1.48,-7.03,;2.81,-7.8,;2.81,-9.34,;4.14,-10.11,;5.47,-9.34,;5.47,-7.8,;4.14,-7.03,;6.81,-10.11,;6.81,-11.65,;8.14,-9.34,;9.48,-10.11,;9.64,-11.63,;11.15,-11.95,;11.92,-10.62,;10.88,-9.48,;3.15,-1.89,;2.53,-.49,;3.41,.76,;4.95,.6,;5.86,1.86,;5.58,-.8,;4.67,-2.05,;-2,-4.88,;-3.52,-3.94,)| Show InChI InChI=1S/C27H32BrN7O2/c1-26(2,3)20-12-14-27(15-13-20)17-34(22-10-8-21(28)9-11-22)25(37)35(27)16-18-4-6-19(7-5-18)23(36)29-24-30-32-33-31-24/h4-11,20H,12-17H2,1-3H3,(H2,29,30,31,32,33,36) | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity against human glucagon receptor expressed in CHO cell membranes using [125I]glucagon |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171839
(4-{3-[1-(4-Bromo-phenyl)-ethyl]-8-tert-butyl-2-oxo...)Show SMILES CC(N1CC2(CCC(CC2)C(C)(C)C)N(Cc2ccc(cc2)C(=O)Nc2nnn[nH]2)C1=O)c1ccc(Br)cc1 |(3.96,-.6,;2.45,-.45,;1.54,-1.68,;.01,-1.68,;-.46,-3.15,;-2.69,-3.43,;-4.2,-2.5,;-5.41,-4.19,;-3.21,-3.89,;-1.76,-4.42,;-6.5,-5.26,;-5.42,-6.36,;-7.6,-6.36,;-7.6,-4.17,;.78,-4.05,;.78,-5.58,;2.1,-6.35,;3.43,-5.57,;4.77,-6.33,;4.77,-7.88,;3.43,-8.65,;2.1,-7.88,;6.1,-8.65,;6.1,-10.19,;7.43,-7.87,;8.75,-8.64,;8.93,-10.16,;10.43,-10.47,;11.19,-9.15,;10.16,-8.01,;2.02,-3.15,;3.47,-3.63,;1.82,.95,;.31,1.11,;-.32,2.5,;.58,3.76,;-.04,5.16,;2.12,3.6,;2.73,2.2,)| Show InChI InChI=1S/C29H36BrN7O2/c1-19(21-9-11-24(30)12-10-21)36-18-29(15-13-23(14-16-29)28(2,3)4)37(27(36)39)17-20-5-7-22(8-6-20)25(38)31-26-32-34-35-33-26/h5-12,19,23H,13-18H2,1-4H3,(H2,31,32,33,34,35,38) | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against glucagon-induced cAMP accumulation in human glucagon receptor transfected CHO cells |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171823
(4-[8-tert-Butyl-3-(4-fluoro-phenyl)-2-oxo-1,3-diaz...)Show SMILES CC(C)(C)C1CCC2(CN(C(=O)N2Cc2ccc(cc2)C(=O)Nc2nnn[nH]2)c2ccc(F)cc2)CC1 |(-8.96,-7.17,;-7.86,-6.08,;-8.96,-4.99,;-6.79,-7.17,;-6.77,-5,;-4.58,-4.71,;-3.11,-5.23,;-1.81,-3.96,;-1.34,-2.5,;.19,-2.5,;.66,-3.96,;2.13,-4.44,;-.57,-4.86,;-.57,-6.4,;.75,-7.17,;.75,-8.7,;2.08,-9.47,;3.4,-8.7,;3.4,-7.15,;2.08,-6.38,;4.75,-9.47,;4.75,-11,;6.07,-8.69,;7.41,-9.45,;7.57,-10.98,;9.07,-11.29,;9.84,-9.97,;8.8,-8.83,;1.09,-1.26,;.47,.13,;1.36,1.37,;2.89,1.23,;3.8,2.47,;3.52,-.17,;2.61,-1.43,;-4.04,-4.24,;-5.55,-3.31,)| Show InChI InChI=1S/C27H32FN7O2/c1-26(2,3)20-12-14-27(15-13-20)17-34(22-10-8-21(28)9-11-22)25(37)35(27)16-18-4-6-19(7-5-18)23(36)29-24-30-32-33-31-24/h4-11,20H,12-17H2,1-3H3,(H2,29,30,31,32,33,36) | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity against human glucagon receptor expressed in CHO cell membranes using [125I]glucagon |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171830
(3-{4-[9-tert-Butyl-2-oxo-3-(4-trifluoromethoxy-phe...)Show SMILES CC(C)(C)C1CCC2(CC1)CCN(C(=O)N2Cc1ccc(cc1)C(=O)NCCC(O)=O)c1ccc(OC(F)(F)F)cc1 |(-7.39,-1.1,;-6.29,-2.19,;-5.2,-3.27,;-7.39,-3.27,;-5.2,-1.1,;-3.98,.6,;-2.47,-.33,;-.23,-.05,;-1.53,-1.34,;-2.99,-.8,;-.23,1.49,;1.12,2.24,;2.45,1.47,;2.43,-.05,;3.78,-.84,;1.1,-.84,;1.1,-2.38,;2.43,-3.15,;3.76,-2.36,;5.09,-3.13,;5.09,-4.69,;3.76,-5.46,;2.43,-4.69,;6.44,-5.46,;6.44,-7,;7.77,-4.67,;9.11,-5.44,;9.11,-6.98,;10.44,-7.75,;11.77,-6.98,;10.44,-9.29,;3.79,2.23,;5.11,1.46,;6.45,2.22,;6.45,3.77,;7.79,4.53,;9.12,3.75,;8.34,2.43,;10.45,2.99,;9.88,5.1,;5.12,4.54,;3.79,3.77,)| Show InChI InChI=1S/C31H38F3N3O5/c1-29(2,3)23-12-15-30(16-13-23)17-19-36(24-8-10-25(11-9-24)42-31(32,33)34)28(41)37(30)20-21-4-6-22(7-5-21)27(40)35-18-14-26(38)39/h4-11,23H,12-20H2,1-3H3,(H,35,40)(H,38,39) | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity against human glucagon receptor expressed in CHO cell membranes using [125I]glucagon |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171836
(4-[8-tert-Butyl-2-oxo-3-(4-trifluoromethoxy-phenyl...)Show SMILES CC(C)(C)C1CCC2(CN(C(=O)N2Cc2ccc(cc2)C(=O)Nc2nnn[nH]2)c2ccc(OC(F)(F)F)cc2)CC1 |(1.68,-3.86,;2.78,-2.76,;1.68,-1.66,;3.86,-3.86,;3.86,-1.68,;5.09,.02,;6.61,-.92,;8.84,-.64,;10.18,1.67,;11.51,.9,;11.51,-.64,;12.84,-1.41,;10.17,-1.41,;10.17,-2.95,;11.5,-3.72,;11.5,-5.26,;12.83,-6.03,;14.17,-5.26,;14.17,-3.72,;12.83,-2.95,;15.5,-6.03,;15.5,-7.57,;16.83,-5.26,;18.18,-6.03,;19.58,-5.4,;20.61,-6.54,;19.84,-7.87,;18.35,-7.54,;12.86,1.66,;14.17,.88,;15.52,1.65,;15.52,3.19,;16.85,3.96,;18.18,3.17,;19.51,2.42,;18.95,4.52,;17.41,1.86,;14.19,3.96,;12.86,3.19,;7.54,-1.91,;6.07,-1.38,)| Show InChI InChI=1S/C28H32F3N7O3/c1-26(2,3)20-12-14-27(15-13-20)17-37(21-8-10-22(11-9-21)41-28(29,30)31)25(40)38(27)16-18-4-6-19(7-5-18)23(39)32-24-33-35-36-34-24/h4-11,20H,12-17H2,1-3H3,(H2,32,33,34,35,36,39) | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against glucagon-induced cAMP accumulation in human glucagon receptor transfected CHO cells |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171828
(4-[8-tert-Butyl-3-(3,4-difluoro-phenyl)-2-oxo-1,3-...)Show SMILES CC(C)(C)C1CCC2(CN(C(=O)N2Cc2ccc(cc2)C(=O)Nc2nnn[nH]2)c2ccc(F)c(F)c2)CC1 |(-7.42,-4.52,;-6.33,-5.61,;-5.23,-6.69,;-7.42,-6.69,;-5.23,-4.52,;-4,-2.83,;-2.49,-3.76,;-.27,-3.48,;.21,-2.03,;1.75,-2.03,;2.22,-3.48,;3.68,-3.97,;.98,-4.39,;.98,-5.92,;2.3,-6.68,;2.3,-8.23,;3.63,-9,;4.97,-8.23,;4.97,-6.68,;3.63,-5.91,;6.29,-9,;6.29,-10.53,;7.62,-8.22,;8.96,-8.99,;9.13,-10.51,;10.63,-10.83,;11.39,-9.5,;10.37,-8.36,;2.64,-.78,;2.03,.62,;2.92,1.85,;4.45,1.7,;5.36,2.95,;5.08,.29,;6.61,.13,;4.18,-.94,;-1.56,-4.76,;-3.02,-4.22,)| Show InChI InChI=1S/C27H31F2N7O2/c1-26(2,3)19-10-12-27(13-11-19)16-35(20-8-9-21(28)22(29)14-20)25(38)36(27)15-17-4-6-18(7-5-17)23(37)30-24-31-33-34-32-24/h4-9,14,19H,10-13,15-16H2,1-3H3,(H2,30,31,32,33,34,37) | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against glucagon-induced cAMP accumulation in human glucagon receptor transfected CHO cells |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171814
(4-[8-tert-Butyl-2-oxo-3-(3-trifluoromethoxy-phenyl...)Show SMILES CC(C)(C)C1CCC2(CN(C(=O)N2Cc2ccc(cc2)C(=O)Nc2nnn[nH]2)c2cccc(OC(F)(F)F)c2)CC1 |(-8.31,-7.74,;-7.2,-6.66,;-8.31,-5.57,;-6.12,-7.74,;-6.1,-5.58,;-3.91,-5.27,;-2.44,-5.81,;-1.14,-4.53,;-.67,-3.08,;.87,-3.08,;1.34,-4.53,;2.8,-5.02,;.1,-5.44,;.1,-6.97,;1.43,-7.73,;1.43,-9.28,;2.76,-10.05,;4.08,-9.28,;4.08,-7.73,;2.76,-6.97,;5.43,-10.05,;5.43,-11.59,;6.76,-9.27,;8.09,-10.04,;8.26,-11.56,;9.76,-11.88,;10.53,-10.55,;9.49,-9.41,;1.77,-1.83,;1.15,-.43,;2.03,.81,;3.57,.65,;4.2,-.75,;5.74,-.92,;6.36,-2.31,;5.02,-3.08,;7.11,-3.64,;7.69,-1.54,;3.29,-1.99,;-3.37,-4.81,;-4.88,-3.88,)| Show InChI InChI=1S/C28H32F3N7O3/c1-26(2,3)20-11-13-27(14-12-20)17-37(21-5-4-6-22(15-21)41-28(29,30)31)25(40)38(27)16-18-7-9-19(10-8-18)23(39)32-24-33-35-36-34-24/h4-10,15,20H,11-14,16-17H2,1-3H3,(H2,32,33,34,35,36,39) | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against glucagon-induced cAMP accumulation in human glucagon receptor transfected CHO cells |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171830
(3-{4-[9-tert-Butyl-2-oxo-3-(4-trifluoromethoxy-phe...)Show SMILES CC(C)(C)C1CCC2(CC1)CCN(C(=O)N2Cc1ccc(cc1)C(=O)NCCC(O)=O)c1ccc(OC(F)(F)F)cc1 |(-7.39,-1.1,;-6.29,-2.19,;-5.2,-3.27,;-7.39,-3.27,;-5.2,-1.1,;-3.98,.6,;-2.47,-.33,;-.23,-.05,;-1.53,-1.34,;-2.99,-.8,;-.23,1.49,;1.12,2.24,;2.45,1.47,;2.43,-.05,;3.78,-.84,;1.1,-.84,;1.1,-2.38,;2.43,-3.15,;3.76,-2.36,;5.09,-3.13,;5.09,-4.69,;3.76,-5.46,;2.43,-4.69,;6.44,-5.46,;6.44,-7,;7.77,-4.67,;9.11,-5.44,;9.11,-6.98,;10.44,-7.75,;11.77,-6.98,;10.44,-9.29,;3.79,2.23,;5.11,1.46,;6.45,2.22,;6.45,3.77,;7.79,4.53,;9.12,3.75,;8.34,2.43,;10.45,2.99,;9.88,5.1,;5.12,4.54,;3.79,3.77,)| Show InChI InChI=1S/C31H38F3N3O5/c1-29(2,3)23-12-15-30(16-13-23)17-19-36(24-8-10-25(11-9-24)42-31(32,33)34)28(41)37(30)20-21-4-6-22(7-5-21)27(40)35-18-14-26(38)39/h4-11,23H,12-20H2,1-3H3,(H,35,40)(H,38,39) | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against glucagon-induced cAMP accumulation in human glucagon receptor transfected CHO cells |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171833
(4-[8-tert-Butyl-3-(2,4-dichloro-phenyl)-2-oxo-1,3-...)Show SMILES CC(C)(C)C1CCC2(CN(C(=O)N2Cc2ccc(cc2)C(=O)Nc2nnn[nH]2)c2ccc(Cl)cc2Cl)CC1 |(-7.09,-3.45,;-5.99,-4.54,;-4.9,-5.64,;-7.09,-5.64,;-4.9,-3.47,;-3.68,-1.78,;-2.16,-2.71,;.05,-2.43,;.53,-.96,;2.07,-.96,;2.54,-2.43,;4,-2.91,;1.3,-3.33,;1.3,-4.86,;2.63,-5.63,;3.95,-4.85,;5.29,-5.61,;5.29,-7.16,;3.95,-7.92,;2.63,-7.16,;6.61,-7.92,;6.61,-9.47,;7.94,-7.15,;9.28,-7.92,;9.45,-9.44,;10.94,-9.75,;11.71,-8.43,;10.69,-7.29,;2.96,.27,;2.35,1.67,;3.24,2.91,;4.78,2.76,;5.68,4,;5.4,1.35,;4.5,.11,;5.13,-1.29,;-1.23,-3.7,;-2.69,-3.17,)| Show InChI InChI=1S/C27H31Cl2N7O2/c1-26(2,3)19-10-12-27(13-11-19)16-35(22-9-8-20(28)14-21(22)29)25(38)36(27)15-17-4-6-18(7-5-17)23(37)30-24-31-33-34-32-24/h4-9,14,19H,10-13,15-16H2,1-3H3,(H2,30,31,32,33,34,37) | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity against human glucagon receptor expressed in CHO cell membranes using [125I]glucagon |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50410443
(CHEMBL2113103)Show SMILES CC(C)(C)C1CCC2(CC1)CCN(C(=O)N2Cc1ccc(cc1)C(=O)NC[C@@H](O)C(O)=O)c1ccc(OC(F)(F)F)cc1 |r,wU:27.30,(-6.71,-3.58,;-5.61,-2.5,;-6.71,-1.4,;-4.52,-3.58,;-4.52,-1.4,;-2.3,-1.1,;-.86,-1.63,;.45,-.36,;-1.79,-.64,;-3.31,.3,;.45,1.18,;1.8,1.94,;3.13,1.17,;3.11,-.36,;4.46,-1.14,;1.78,-1.14,;1.78,-2.68,;3.11,-3.44,;4.44,-2.67,;5.77,-3.44,;5.77,-4.99,;4.44,-5.76,;3.11,-4.99,;7.12,-5.76,;7.12,-7.3,;8.45,-4.98,;9.78,-5.75,;11.11,-4.98,;11.11,-3.44,;12.44,-5.75,;12.44,-7.29,;13.77,-4.97,;4.46,1.94,;4.46,3.47,;5.79,4.24,;7.12,3.45,;8.48,4.24,;9.81,3.45,;10.55,4.82,;9.01,2.12,;11.14,2.68,;7.12,1.91,;5.79,1.16,)| Show InChI InChI=1S/C31H38F3N3O6/c1-29(2,3)22-12-14-30(15-13-22)16-17-36(23-8-10-24(11-9-23)43-31(32,33)34)28(42)37(30)19-20-4-6-21(7-5-20)26(39)35-18-25(38)27(40)41/h4-11,22,25,38H,12-19H2,1-3H3,(H,35,39)(H,40,41)/t22?,25-,30?/m1/s1 | PDB
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| n/a | n/a | 303 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against glucagon-induced cAMP accumulation in human glucagon receptor transfected CHO cells |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171821
(3-{4-[8-tert-Butyl-2-oxo-3-(4-trifluoromethoxy-phe...)Show SMILES CC(C)(C)C1CCC2(CN(C(=O)N2Cc2ccc(cc2)C(=O)NCCC(O)=O)c2ccc(OC(F)(F)F)cc2)CC1 |(-6.18,-2.4,;-5.09,-1.33,;-6.18,-.23,;-3.99,-2.4,;-3.99,-.24,;-1.78,.06,;-.33,-.47,;.96,.79,;2.31,3.11,;3.64,2.33,;3.63,.81,;4.96,.02,;2.29,.02,;2.29,-1.51,;3.61,-2.28,;3.61,-3.82,;4.94,-4.58,;6.28,-3.82,;6.28,-2.26,;4.94,-1.5,;7.61,-4.58,;7.61,-6.12,;8.94,-3.8,;10.27,-4.57,;10.27,-6.1,;11.61,-6.87,;12.93,-6.1,;11.61,-8.41,;4.96,3.09,;6.29,2.32,;7.61,3.07,;7.63,4.61,;8.96,5.39,;10.29,4.6,;9.51,3.28,;11.62,3.84,;11.05,5.95,;6.29,5.39,;4.96,4.62,;-1.26,.53,;-2.77,1.46,)| Show InChI InChI=1S/C30H36F3N3O5/c1-28(2,3)22-12-15-29(16-13-22)19-35(23-8-10-24(11-9-23)41-30(31,32)33)27(40)36(29)18-20-4-6-21(7-5-20)26(39)34-17-14-25(37)38/h4-11,22H,12-19H2,1-3H3,(H,34,39)(H,37,38) | PDB
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| n/a | n/a | 336 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity against human glucagon receptor expressed in CHO cell membranes using [125I]glucagon |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171844
(3-{4-[8-tert-Butyl-3-(3-chloro-phenyl)-2-oxo-1,3-d...)Show SMILES CC(C)(C)C1CCC2(CN(C(=O)N2Cc2ccc(cc2)C(=O)NCCC(O)=O)c2cccc(Cl)c2)CC1 |(14.99,-5.56,;13.91,-4.48,;12.81,-5.56,;12.81,-3.38,;15,-3.39,;16.22,-1.69,;17.74,-2.62,;19.97,-2.34,;20.45,-.89,;21.99,-.89,;22.45,-2.34,;23.92,-2.83,;21.22,-3.25,;21.22,-4.79,;22.55,-5.55,;23.88,-4.78,;25.21,-5.55,;25.21,-7.1,;23.88,-7.87,;22.55,-7.1,;26.55,-7.87,;26.55,-9.41,;27.88,-7.09,;29.22,-7.86,;30.55,-7.09,;31.88,-7.86,;31.88,-9.4,;33.21,-7.08,;22.89,.37,;22.27,1.77,;23.15,3,;24.69,2.85,;25.32,1.44,;26.86,1.28,;24.41,.2,;18.67,-3.62,;17.2,-3.09,)| Show InChI InChI=1S/C29H36ClN3O4/c1-28(2,3)22-11-14-29(15-12-22)19-32(24-6-4-5-23(30)17-24)27(37)33(29)18-20-7-9-21(10-8-20)26(36)31-16-13-25(34)35/h4-10,17,22H,11-16,18-19H2,1-3H3,(H,31,36)(H,34,35) | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against glucagon-induced cAMP accumulation in human glucagon receptor transfected CHO cells |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171825
(4-[8-tert-Butyl-3-(3-chloro-phenyl)-2-oxo-1,3-diaz...)Show SMILES CC(C)(C)C1CCC2(CN(C(=O)N2Cc2ccc(cc2)C(=O)Nc2nnn[nH]2)c2cccc(Cl)c2)CC1 |(2.25,-7.02,;1.17,-5.92,;.08,-7.02,;.08,-4.83,;2.26,-4.86,;3.47,-3.16,;4.97,-4.09,;7.2,-3.81,;7.66,-2.35,;9.2,-2.35,;9.68,-3.81,;11.12,-4.3,;8.43,-4.72,;8.43,-6.25,;9.75,-7.02,;11.08,-6.23,;12.41,-6.99,;12.41,-8.55,;11.08,-9.31,;9.75,-8.55,;13.74,-9.31,;13.74,-10.84,;15.07,-8.52,;16.39,-9.29,;16.57,-10.82,;18.06,-11.12,;18.83,-9.8,;17.8,-8.66,;10.1,-1.12,;9.47,.27,;10.36,1.5,;11.9,1.36,;12.53,-.05,;14.05,-.22,;11.62,-1.28,;5.9,-5.09,;4.45,-4.56,)| Show InChI InChI=1S/C27H32ClN7O2/c1-26(2,3)20-11-13-27(14-12-20)17-34(22-6-4-5-21(28)15-22)25(37)35(27)16-18-7-9-19(10-8-18)23(36)29-24-30-32-33-31-24/h4-10,15,20H,11-14,16-17H2,1-3H3,(H2,29,30,31,32,33,36) | PDB
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| n/a | n/a | 353 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against glucagon-induced cAMP accumulation in human glucagon receptor transfected CHO cells |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171827
(4-[8-tert-Butyl-3-(4-methanesulfonyl-phenyl)-2-oxo...)Show SMILES CC(C)(C)C1CCC2(CN(C(=O)N2Cc2ccc(cc2)C(=O)Nc2nnn[nH]2)c2ccc(cc2)S(C)(=O)=O)CC1 |(-7.37,-7.68,;-6.27,-6.59,;-7.37,-5.5,;-5.18,-7.68,;-5.18,-5.51,;-2.97,-5.22,;-1.51,-5.75,;-.22,-4.47,;.26,-3.01,;1.79,-3.01,;2.26,-4.47,;3.72,-4.96,;1.02,-5.37,;1.02,-6.91,;2.35,-7.68,;2.35,-9.21,;3.68,-9.98,;5.01,-9.21,;5.01,-7.66,;3.68,-6.89,;6.34,-9.98,;6.34,-11.52,;7.66,-9.2,;9,-9.96,;9.17,-11.49,;10.66,-11.8,;11.43,-10.48,;10.41,-9.34,;2.68,-1.78,;2.07,-.38,;2.96,.86,;4.5,.71,;5.13,-.7,;4.22,-1.94,;5.4,1.95,;6.15,3.3,;6.72,1.19,;4.06,2.72,;-2.44,-4.75,;-3.95,-3.82,)| Show InChI InChI=1S/C28H35N7O4S/c1-27(2,3)21-13-15-28(16-14-21)18-34(22-9-11-23(12-10-22)40(4,38)39)26(37)35(28)17-19-5-7-20(8-6-19)24(36)29-25-30-32-33-31-25/h5-12,21H,13-18H2,1-4H3,(H2,29,30,31,32,33,36) | PDB
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| n/a | n/a | 407 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against glucagon-induced cAMP accumulation in human glucagon receptor transfected CHO cells |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171820
(3-{4-[8-tert-Butyl-3-(3,5-dichloro-phenyl)-2-oxo-1...)Show SMILES CC(C)(C)C1CCC2(CN(C(=O)N2Cc2ccc(cc2)C(=O)NCCC(O)=O)c2cc(Cl)cc(Cl)c2)CC1 |(14.12,-8.74,;15.21,-9.83,;16.3,-10.92,;14.12,-10.92,;16.3,-8.74,;17.52,-7.05,;19.03,-7.99,;21.26,-7.69,;21.73,-6.25,;23.27,-6.25,;23.75,-7.69,;25.2,-8.18,;22.5,-8.6,;22.5,-10.14,;23.82,-10.9,;23.82,-12.44,;25.15,-13.21,;26.49,-12.44,;26.49,-10.9,;25.15,-10.14,;27.83,-13.21,;27.83,-14.74,;29.16,-12.44,;30.48,-13.21,;31.81,-12.44,;33.15,-13.21,;33.15,-14.74,;34.48,-12.43,;24.17,-5.01,;25.7,-5.17,;26.61,-3.92,;28.13,-4.08,;25.98,-2.52,;24.45,-2.36,;23.82,-.96,;23.55,-3.61,;19.96,-8.97,;18.51,-8.45,)| Show InChI InChI=1S/C29H35Cl2N3O4/c1-28(2,3)21-8-11-29(12-9-21)18-33(24-15-22(30)14-23(31)16-24)27(38)34(29)17-19-4-6-20(7-5-19)26(37)32-13-10-25(35)36/h4-7,14-16,21H,8-13,17-18H2,1-3H3,(H,32,37)(H,35,36) | PDB
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| n/a | n/a | 423 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against glucagon-induced cAMP accumulation in human glucagon receptor transfected CHO cells |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171813
(4-(8-tert-Butyl-2-oxo-3-p-tolyl-1,3-diaza-spiro[4....)Show SMILES Cc1ccc(cc1)N1CC2(CCC(CC2)C(C)(C)C)N(Cc2ccc(cc2)C(=O)Nc2nnn[nH]2)C1=O |(5.86,1.86,;4.95,.6,;3.41,.76,;2.53,-.49,;3.15,-1.89,;4.67,-2.05,;5.58,-.8,;2.25,-3.13,;.71,-3.13,;.23,-4.6,;-1.07,-5.86,;-2.54,-5.34,;-4.74,-5.63,;-3.52,-3.94,;-2,-4.88,;-5.83,-6.73,;-4.75,-7.82,;-6.93,-7.82,;-6.93,-5.63,;1.48,-5.49,;1.48,-7.03,;2.81,-7.8,;4.14,-7.03,;5.47,-7.8,;5.47,-9.34,;4.14,-10.11,;2.81,-9.34,;6.81,-10.11,;6.81,-11.65,;8.14,-9.34,;9.48,-10.11,;9.64,-11.63,;11.15,-11.95,;11.92,-10.62,;10.88,-9.48,;2.71,-4.6,;4.18,-5.07,)| Show InChI InChI=1S/C28H35N7O2/c1-19-5-11-23(12-6-19)34-18-28(15-13-22(14-16-28)27(2,3)4)35(26(34)37)17-20-7-9-21(10-8-20)24(36)29-25-30-32-33-31-25/h5-12,22H,13-18H2,1-4H3,(H2,29,30,31,32,33,36) | PDB
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| n/a | n/a | 427 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against glucagon-induced cAMP accumulation in human glucagon receptor transfected CHO cells |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Gastric inhibitory polypeptide receptor
(Homo sapiens (Human)) | BDBM50171819
(4-[9-tert-Butyl-2-oxo-3-(4-trifluoromethoxy-phenyl...)Show SMILES CC(C)(C)C1CCC2(CC1)CCN(C(=O)N2Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)c1ccc(OC(F)(F)F)cc1 |(-2.46,-2.45,;-3.55,-1.37,;-4.65,-2.45,;-4.65,-.28,;-2.46,-.29,;-.25,.02,;1.21,-.52,;2.5,.76,;.28,.48,;-1.23,1.41,;2.51,2.3,;3.85,3.05,;5.17,2.28,;5.17,.76,;6.5,-.02,;3.82,-.02,;3.82,-1.56,;5.15,-2.33,;5.15,-3.86,;6.48,-4.63,;7.82,-3.86,;7.82,-2.31,;6.48,-1.54,;9.15,-4.63,;9.15,-6.17,;10.48,-3.85,;11.81,-4.62,;13.22,-3.99,;14.25,-5.13,;13.48,-6.45,;11.98,-6.14,;6.5,3.04,;6.5,4.58,;7.83,5.34,;9.17,4.58,;10.5,5.33,;11.83,4.55,;11.05,3.23,;13.16,3.79,;12.59,5.9,;9.15,3.03,;7.83,2.27,)| Show InChI InChI=1S/C29H34F3N7O3/c1-27(2,3)21-12-14-28(15-13-21)16-17-38(22-8-10-23(11-9-22)42-29(30,31)32)26(41)39(28)18-19-4-6-20(7-5-19)24(40)33-25-34-36-37-35-25/h4-11,21H,12-18H2,1-3H3,(H2,33,34,35,36,37,40) | PDB
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| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human gastric inhibitory polypeptide receptor (hGIP) mediated cAMP accumulation |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171815
(4-[8-tert-Butyl-3-(4-chloro-phenyl)-2-oxo-1,3-diaz...)Show SMILES CC(C)(C)C1CCC2(CN(C(=O)N2Cc2ccc(cc2)C(=O)Nc2nnn[nH]2)c2ccc(Cl)cc2)CC1 |(-7.08,-5.63,;-5.99,-4.54,;-7.08,-3.45,;-4.9,-5.63,;-4.9,-3.46,;-2.69,-3.17,;-1.23,-3.7,;.05,-2.43,;.53,-.96,;2.07,-.96,;2.54,-2.43,;4,-2.91,;1.3,-3.32,;1.3,-4.86,;2.63,-5.63,;2.63,-7.16,;3.95,-7.91,;5.28,-7.16,;5.28,-5.61,;3.95,-4.84,;6.61,-7.91,;6.61,-9.46,;7.93,-7.14,;9.27,-7.91,;9.45,-9.44,;10.93,-9.75,;11.7,-8.42,;10.68,-7.28,;2.96,.27,;2.35,1.67,;3.24,2.91,;4.77,2.76,;5.67,4,;5.4,1.35,;4.49,.11,;-2.16,-2.7,;-3.67,-1.77,)| Show InChI InChI=1S/C27H32ClN7O2/c1-26(2,3)20-12-14-27(15-13-20)17-34(22-10-8-21(28)9-11-22)25(37)35(27)16-18-4-6-19(7-5-18)23(36)29-24-30-32-33-31-24/h4-11,20H,12-17H2,1-3H3,(H2,29,30,31,32,33,36) | PDB
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| n/a | n/a | 446 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against glucagon-induced cAMP accumulation in human glucagon receptor transfected CHO cells |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171821
(3-{4-[8-tert-Butyl-2-oxo-3-(4-trifluoromethoxy-phe...)Show SMILES CC(C)(C)C1CCC2(CN(C(=O)N2Cc2ccc(cc2)C(=O)NCCC(O)=O)c2ccc(OC(F)(F)F)cc2)CC1 |(-6.18,-2.4,;-5.09,-1.33,;-6.18,-.23,;-3.99,-2.4,;-3.99,-.24,;-1.78,.06,;-.33,-.47,;.96,.79,;2.31,3.11,;3.64,2.33,;3.63,.81,;4.96,.02,;2.29,.02,;2.29,-1.51,;3.61,-2.28,;3.61,-3.82,;4.94,-4.58,;6.28,-3.82,;6.28,-2.26,;4.94,-1.5,;7.61,-4.58,;7.61,-6.12,;8.94,-3.8,;10.27,-4.57,;10.27,-6.1,;11.61,-6.87,;12.93,-6.1,;11.61,-8.41,;4.96,3.09,;6.29,2.32,;7.61,3.07,;7.63,4.61,;8.96,5.39,;10.29,4.6,;9.51,3.28,;11.62,3.84,;11.05,5.95,;6.29,5.39,;4.96,4.62,;-1.26,.53,;-2.77,1.46,)| Show InChI InChI=1S/C30H36F3N3O5/c1-28(2,3)22-12-15-29(16-13-22)19-35(23-8-10-24(11-9-23)41-30(31,32)33)27(40)36(29)18-20-4-6-21(7-5-20)26(39)34-17-14-25(37)38/h4-11,22H,12-19H2,1-3H3,(H,34,39)(H,37,38) | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against glucagon-induced cAMP accumulation in human glucagon receptor transfected CHO cells |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171834
(3-{4-[8-tert-Butyl-2-oxo-3-(3-trifluoromethoxy-phe...)Show SMILES CC(C)(C)C1CCC2(CN(C(=O)N2Cc2ccc(cc2)C(=O)NCCC(O)=O)c2cccc(OC(F)(F)F)c2)CC1 |(13.63,-10.18,;14.72,-9.1,;13.63,-8,;15.8,-10.18,;15.82,-8.01,;18.02,-7.71,;19.49,-8.24,;20.79,-6.96,;21.26,-5.51,;22.8,-5.51,;23.27,-6.96,;24.74,-7.45,;22.03,-7.87,;22.03,-9.41,;23.36,-10.17,;23.36,-11.72,;24.69,-12.49,;26.02,-11.72,;26.02,-10.17,;24.69,-9.4,;27.37,-12.49,;27.37,-14.03,;28.7,-11.71,;30.04,-12.48,;31.37,-11.71,;32.7,-12.48,;32.7,-14.02,;34.03,-11.7,;23.71,-4.25,;23.08,-2.85,;23.97,-1.62,;25.51,-1.77,;26.14,-3.18,;27.68,-3.34,;28.58,-2.08,;30.06,-2.48,;27.24,-1.31,;29.34,-.75,;25.23,-4.42,;18.56,-7.24,;17.04,-6.31,)| Show InChI InChI=1S/C30H36F3N3O5/c1-28(2,3)22-11-14-29(15-12-22)19-35(23-5-4-6-24(17-23)41-30(31,32)33)27(40)36(29)18-20-7-9-21(10-8-20)26(39)34-16-13-25(37)38/h4-10,17,22H,11-16,18-19H2,1-3H3,(H,34,39)(H,37,38) | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against glucagon-induced cAMP accumulation in human glucagon receptor transfected CHO cells |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171844
(3-{4-[8-tert-Butyl-3-(3-chloro-phenyl)-2-oxo-1,3-d...)Show SMILES CC(C)(C)C1CCC2(CN(C(=O)N2Cc2ccc(cc2)C(=O)NCCC(O)=O)c2cccc(Cl)c2)CC1 |(14.99,-5.56,;13.91,-4.48,;12.81,-5.56,;12.81,-3.38,;15,-3.39,;16.22,-1.69,;17.74,-2.62,;19.97,-2.34,;20.45,-.89,;21.99,-.89,;22.45,-2.34,;23.92,-2.83,;21.22,-3.25,;21.22,-4.79,;22.55,-5.55,;23.88,-4.78,;25.21,-5.55,;25.21,-7.1,;23.88,-7.87,;22.55,-7.1,;26.55,-7.87,;26.55,-9.41,;27.88,-7.09,;29.22,-7.86,;30.55,-7.09,;31.88,-7.86,;31.88,-9.4,;33.21,-7.08,;22.89,.37,;22.27,1.77,;23.15,3,;24.69,2.85,;25.32,1.44,;26.86,1.28,;24.41,.2,;18.67,-3.62,;17.2,-3.09,)| Show InChI InChI=1S/C29H36ClN3O4/c1-28(2,3)22-11-14-29(15-12-22)19-32(24-6-4-5-23(30)17-24)27(37)33(29)18-20-7-9-21(10-8-20)26(36)31-16-13-25(34)35/h4-10,17,22H,11-16,18-19H2,1-3H3,(H,31,36)(H,34,35) | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against glucagon-induced cAMP accumulation in human glucagon receptor transfected CHO cells |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171823
(4-[8-tert-Butyl-3-(4-fluoro-phenyl)-2-oxo-1,3-diaz...)Show SMILES CC(C)(C)C1CCC2(CN(C(=O)N2Cc2ccc(cc2)C(=O)Nc2nnn[nH]2)c2ccc(F)cc2)CC1 |(-8.96,-7.17,;-7.86,-6.08,;-8.96,-4.99,;-6.79,-7.17,;-6.77,-5,;-4.58,-4.71,;-3.11,-5.23,;-1.81,-3.96,;-1.34,-2.5,;.19,-2.5,;.66,-3.96,;2.13,-4.44,;-.57,-4.86,;-.57,-6.4,;.75,-7.17,;.75,-8.7,;2.08,-9.47,;3.4,-8.7,;3.4,-7.15,;2.08,-6.38,;4.75,-9.47,;4.75,-11,;6.07,-8.69,;7.41,-9.45,;7.57,-10.98,;9.07,-11.29,;9.84,-9.97,;8.8,-8.83,;1.09,-1.26,;.47,.13,;1.36,1.37,;2.89,1.23,;3.8,2.47,;3.52,-.17,;2.61,-1.43,;-4.04,-4.24,;-5.55,-3.31,)| Show InChI InChI=1S/C27H32FN7O2/c1-26(2,3)20-12-14-27(15-13-20)17-34(22-10-8-21(28)9-11-22)25(37)35(27)16-18-4-6-19(7-5-18)23(36)29-24-30-32-33-31-24/h4-11,20H,12-17H2,1-3H3,(H2,29,30,31,32,33,36) | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against glucagon-induced cAMP accumulation in human glucagon receptor transfected CHO cells |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171838
(4-[8-tert-Butyl-2,4-dioxo-3-(4-trifluoromethoxy-ph...)Show SMILES CC(C)(C)C1CCC2(CC1)N(Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)C(=O)N(C2=O)c1ccc(OC(F)(F)F)cc1 |(-.64,-4.31,;.45,-3.23,;-.64,-2.14,;1.54,-4.31,;1.54,-2.15,;3.75,-1.85,;5.21,-2.38,;6.5,-1.12,;4.28,-1.38,;2.77,-.45,;7.82,-1.88,;7.82,-3.42,;9.15,-4.19,;9.15,-5.72,;10.48,-6.49,;11.82,-5.72,;11.82,-4.17,;10.48,-3.4,;13.15,-6.49,;13.15,-8.03,;14.48,-5.71,;15.8,-6.48,;17.2,-5.85,;18.24,-6.99,;17.47,-8.31,;15.97,-7.99,;9.17,-1.1,;10.5,-1.88,;9.17,.42,;7.85,1.2,;7.45,2.68,;10.5,1.18,;10.5,2.71,;11.83,3.48,;13.17,2.7,;14.5,3.47,;15.83,2.69,;17.15,1.93,;16.59,4.04,;15.05,1.37,;13.15,1.16,;11.83,.41,)| Show InChI InChI=1S/C28H30F3N7O4/c1-26(2,3)19-12-14-27(15-13-19)23(40)38(20-8-10-21(11-9-20)42-28(29,30)31)25(41)37(27)16-17-4-6-18(7-5-17)22(39)32-24-33-35-36-34-24/h4-11,19H,12-16H2,1-3H3,(H2,32,33,34,35,36,39) | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against glucagon-induced cAMP accumulation in human glucagon receptor transfected CHO cells |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171824
(4-[3-(4-Bromo-phenyl)-8-tert-butyl-2-oxo-1,3-diaza...)Show SMILES CC(C)(C)C1CCC2(CN(C(=O)N2Cc2ccc(cc2)C(=O)Nc2nnn[nH]2)c2ccc(Br)cc2)CC1 |(-6.93,-7.82,;-5.83,-6.73,;-6.93,-5.63,;-4.75,-7.82,;-4.74,-5.63,;-2.54,-5.34,;-1.07,-5.86,;.23,-4.6,;.71,-3.13,;2.25,-3.13,;2.71,-4.6,;4.18,-5.07,;1.48,-5.49,;1.48,-7.03,;2.81,-7.8,;2.81,-9.34,;4.14,-10.11,;5.47,-9.34,;5.47,-7.8,;4.14,-7.03,;6.81,-10.11,;6.81,-11.65,;8.14,-9.34,;9.48,-10.11,;9.64,-11.63,;11.15,-11.95,;11.92,-10.62,;10.88,-9.48,;3.15,-1.89,;2.53,-.49,;3.41,.76,;4.95,.6,;5.86,1.86,;5.58,-.8,;4.67,-2.05,;-2,-4.88,;-3.52,-3.94,)| Show InChI InChI=1S/C27H32BrN7O2/c1-26(2,3)20-12-14-27(15-13-20)17-34(22-10-8-21(28)9-11-22)25(37)35(27)16-18-4-6-19(7-5-18)23(36)29-24-30-32-33-31-24/h4-11,20H,12-17H2,1-3H3,(H2,29,30,31,32,33,36) | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against glucagon-induced cAMP accumulation in human glucagon receptor transfected CHO cells |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171841
(4-(8-tert-Butyl-3-cyclohexyl-2-oxo-1,3-diaza-spiro...)Show SMILES CC(C)(C)C1CCC2(CN(C3CCCCC3)C(=O)N2Cc2ccc(cc2)C(=O)Nc2nnn[nH]2)CC1 |(-.69,-4.2,;.4,-5.29,;1.5,-6.39,;-.69,-6.39,;1.5,-4.22,;2.71,-2.52,;4.22,-3.45,;6.46,-3.17,;6.92,-1.71,;8.46,-1.71,;9.37,-.47,;8.74,.93,;9.65,2.18,;11.18,2.02,;11.79,.61,;10.9,-.63,;8.95,-3.17,;10.39,-3.66,;7.69,-4.08,;7.69,-5.62,;9.02,-6.39,;9.02,-7.92,;10.35,-8.69,;11.7,-7.92,;11.7,-6.36,;10.35,-5.6,;13.02,-8.69,;13.02,-10.23,;14.35,-7.9,;15.68,-8.67,;15.86,-10.21,;17.35,-10.51,;18.12,-9.18,;17.1,-8.04,;5.15,-4.46,;3.71,-3.92,)| Show InChI InChI=1S/C27H39N7O2/c1-26(2,3)21-13-15-27(16-14-21)18-33(22-7-5-4-6-8-22)25(36)34(27)17-19-9-11-20(12-10-19)23(35)28-24-29-31-32-30-24/h9-12,21-22H,4-8,13-18H2,1-3H3,(H2,28,29,30,31,32,35) | PDB
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| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against glucagon-induced cAMP accumulation in human glucagon receptor transfected CHO cells |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171816
(4-[8-tert-Butyl-3-(2-chloro-phenyl)-2-oxo-1,3-diaz...)Show SMILES CC(C)(C)C1CCC2(CN(C(=O)N2Cc2ccc(cc2)C(=O)Nc2nnn[nH]2)c2ccccc2Cl)CC1 |(.08,-7.02,;1.17,-5.92,;.08,-4.83,;2.25,-7.02,;2.26,-4.86,;3.47,-3.16,;4.97,-4.09,;7.2,-3.81,;7.66,-2.35,;9.2,-2.35,;9.68,-3.81,;11.12,-4.3,;8.43,-4.72,;8.43,-6.25,;9.75,-7.02,;11.08,-6.23,;12.41,-6.99,;12.41,-8.55,;11.08,-9.31,;9.75,-8.55,;13.74,-9.31,;13.74,-10.84,;15.07,-8.52,;16.39,-9.29,;16.57,-10.82,;18.06,-11.12,;18.83,-9.8,;17.8,-8.66,;10.1,-1.12,;9.47,.27,;10.36,1.5,;11.9,1.36,;12.53,-.05,;11.62,-1.28,;12.25,-2.68,;5.9,-5.09,;4.45,-4.56,)| Show InChI InChI=1S/C27H32ClN7O2/c1-26(2,3)20-12-14-27(15-13-20)17-34(22-7-5-4-6-21(22)28)25(37)35(27)16-18-8-10-19(11-9-18)23(36)29-24-30-32-33-31-24/h4-11,20H,12-17H2,1-3H3,(H2,29,30,31,32,33,36) | PDB
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| n/a | n/a | 739 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against glucagon-induced cAMP accumulation in human glucagon receptor transfected CHO cells |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171822
(3-{4-[8-tert-Butyl-2,4-dioxo-3-(4-trifluoromethoxy...)Show SMILES CC(C)(C)C1CCC2(CC1)N(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)N(C2=O)c1ccc(OC(F)(F)F)cc1 |(.33,-3.32,;-.75,-2.22,;-1.84,-3.32,;-1.84,-1.13,;.35,-1.14,;2.55,-.85,;4.02,-1.38,;5.32,-.1,;3.09,-.38,;1.57,.55,;6.65,-.87,;6.65,-2.41,;7.98,-3.18,;9.31,-2.41,;10.65,-3.18,;10.65,-4.72,;9.31,-5.49,;7.98,-4.72,;11.98,-5.49,;11.98,-7.03,;13.31,-4.72,;14.65,-5.49,;14.65,-7.03,;15.99,-7.8,;17.32,-7.03,;15.99,-9.34,;7.99,-.1,;9.32,-.87,;7.99,1.44,;6.66,2.21,;6.26,3.7,;9.33,2.19,;10.65,1.42,;11.99,2.19,;12,3.73,;13.33,4.5,;14.66,3.71,;15.99,2.96,;15.43,5.06,;13.89,2.4,;10.66,4.5,;9.33,3.73,)| Show InChI InChI=1S/C30H34F3N3O6/c1-28(2,3)21-12-15-29(16-13-21)26(40)36(22-8-10-23(11-9-22)42-30(31,32)33)27(41)35(29)18-19-4-6-20(7-5-19)25(39)34-17-14-24(37)38/h4-11,21H,12-18H2,1-3H3,(H,34,39)(H,37,38) | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against glucagon-induced cAMP accumulation in human glucagon receptor transfected CHO cells |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171843
(4-(8-tert-Butyl-2-oxo-3-phenyl-1,3-diaza-spiro[4.5...)Show SMILES CC(C)(C)C1CCC2(CN(C(=O)N2Cc2ccc(cc2)C(=O)Nc2nnn[nH]2)c2ccccc2)CC1 |(-5.84,-6.36,;-4.75,-5.27,;-5.84,-4.18,;-3.67,-6.36,;-3.67,-4.18,;-1.44,-3.89,;.01,-4.41,;1.3,-3.14,;1.78,-1.68,;3.31,-1.68,;3.8,-3.14,;5.25,-3.62,;2.55,-4.04,;2.55,-5.57,;3.87,-6.34,;5.2,-5.57,;6.54,-6.34,;6.54,-7.88,;5.2,-8.65,;3.87,-7.88,;7.87,-8.65,;7.87,-10.18,;9.2,-7.88,;10.53,-8.65,;10.71,-10.16,;12.2,-10.49,;12.97,-9.16,;11.94,-8.02,;4.2,-.44,;3.59,.95,;4.49,2.2,;6.03,2.04,;6.66,.64,;5.75,-.61,;-.92,-3.42,;-2.44,-2.49,)| Show InChI InChI=1S/C27H33N7O2/c1-26(2,3)21-13-15-27(16-14-21)18-33(22-7-5-4-6-8-22)25(36)34(27)17-19-9-11-20(12-10-19)23(35)28-24-29-31-32-30-24/h4-12,21H,13-18H2,1-3H3,(H2,28,29,30,31,32,35) | PDB
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| n/a | n/a | 894 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against glucagon-induced cAMP accumulation in human glucagon receptor transfected CHO cells |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171833
(4-[8-tert-Butyl-3-(2,4-dichloro-phenyl)-2-oxo-1,3-...)Show SMILES CC(C)(C)C1CCC2(CN(C(=O)N2Cc2ccc(cc2)C(=O)Nc2nnn[nH]2)c2ccc(Cl)cc2Cl)CC1 |(-7.09,-3.45,;-5.99,-4.54,;-4.9,-5.64,;-7.09,-5.64,;-4.9,-3.47,;-3.68,-1.78,;-2.16,-2.71,;.05,-2.43,;.53,-.96,;2.07,-.96,;2.54,-2.43,;4,-2.91,;1.3,-3.33,;1.3,-4.86,;2.63,-5.63,;3.95,-4.85,;5.29,-5.61,;5.29,-7.16,;3.95,-7.92,;2.63,-7.16,;6.61,-7.92,;6.61,-9.47,;7.94,-7.15,;9.28,-7.92,;9.45,-9.44,;10.94,-9.75,;11.71,-8.43,;10.69,-7.29,;2.96,.27,;2.35,1.67,;3.24,2.91,;4.78,2.76,;5.68,4,;5.4,1.35,;4.5,.11,;5.13,-1.29,;-1.23,-3.7,;-2.69,-3.17,)| Show InChI InChI=1S/C27H31Cl2N7O2/c1-26(2,3)19-10-12-27(13-11-19)16-35(22-9-8-20(28)14-21(22)29)25(38)36(27)15-17-4-6-18(7-5-17)23(37)30-24-31-33-34-32-24/h4-9,14,19H,10-13,15-16H2,1-3H3,(H2,30,31,32,33,34,37) | PDB
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| n/a | n/a | 1.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against glucagon-induced cAMP accumulation in human glucagon receptor transfected CHO cells |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171826
(4-(3,8-Di-tert-butyl-2-oxo-1,3-diaza-spiro[4.5]dec...)Show SMILES CC(C)(C)C1CCC2(CN(C(=O)N2Cc2ccc(cc2)C(=O)Nc2nnn[nH]2)C(C)(C)C)CC1 |(.08,-6.37,;1.17,-5.28,;.08,-4.19,;2.25,-6.37,;2.26,-4.21,;4.46,-3.91,;5.9,-4.44,;7.2,-3.16,;7.67,-1.7,;9.2,-1.7,;9.68,-3.16,;11.13,-3.65,;8.43,-4.07,;8.43,-5.6,;9.76,-6.37,;11.08,-5.58,;12.42,-6.35,;12.42,-7.9,;11.08,-8.67,;9.76,-7.9,;13.75,-8.67,;13.75,-10.2,;15.07,-7.88,;16.4,-8.64,;16.57,-10.18,;18.07,-10.48,;18.83,-9.15,;17.81,-8.02,;10.11,-.47,;11.43,-1.24,;10.86,.85,;8.78,.29,;4.98,-3.44,;3.47,-2.51,)| Show InChI InChI=1S/C25H37N7O2/c1-23(2,3)19-11-13-25(14-12-19)16-32(24(4,5)6)22(34)31(25)15-17-7-9-18(10-8-17)20(33)26-21-27-29-30-28-21/h7-10,19H,11-16H2,1-6H3,(H2,26,27,28,29,30,33) | PDB
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| n/a | n/a | 1.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against glucagon-induced cAMP accumulation in human glucagon receptor transfected CHO cells |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171842
(3-{4-[9-tert-Butyl-2,4-dioxo-3-(4-trifluoromethoxy...)Show SMILES CC(C)(C)C1CCC2(CC1)CC(=O)N(C(=O)N2Cc1ccc(cc1)C(=O)NCCC(O)=O)c1ccc(OC(F)(F)F)cc1 |(-2.46,-3.44,;-3.55,-2.36,;-4.64,-3.44,;-4.64,-1.26,;-2.46,-1.26,;-.25,-.98,;1.21,-1.5,;2.5,-.23,;.28,-.51,;-1.23,.42,;2.51,1.3,;3.84,2.06,;3.84,3.6,;5.17,1.29,;5.16,-.23,;6.5,-1.01,;3.82,-1.01,;3.82,-2.54,;5.15,-3.3,;5.15,-4.84,;6.47,-5.61,;7.81,-4.84,;7.81,-3.3,;6.47,-2.53,;9.15,-5.61,;9.15,-7.15,;10.47,-4.84,;11.8,-5.6,;13.12,-4.84,;14.46,-5.6,;14.46,-7.14,;15.79,-4.82,;6.5,2.06,;6.5,3.58,;7.82,4.35,;9.16,3.57,;10.49,4.34,;11.82,3.57,;13.15,2.81,;12.58,4.92,;11.04,2.25,;9.15,2.04,;7.82,1.28,)| Show InChI InChI=1S/C31H36F3N3O6/c1-29(2,3)22-12-15-30(16-13-22)18-25(38)37(23-8-10-24(11-9-23)43-31(32,33)34)28(42)36(30)19-20-4-6-21(7-5-20)27(41)35-17-14-26(39)40/h4-11,22H,12-19H2,1-3H3,(H,35,41)(H,39,40) | PDB
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| n/a | n/a | 1.69E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against glucagon-induced cAMP accumulation in human glucagon receptor transfected CHO cells |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171840
(4-[9-tert-Butyl-2,4-dioxo-3-(4-trifluoromethoxy-ph...)Show SMILES CC(C)(C)C1CCC2(CC1)CC(=O)N(C(=O)N2Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)c1ccc(OC(F)(F)F)cc1 |(-4.76,-4.79,;-3.68,-3.69,;-4.76,-2.6,;-2.58,-4.79,;-2.57,-2.61,;-1.35,-.92,;.17,-1.85,;2.4,-1.57,;1.1,-2.85,;-.37,-2.32,;2.41,-.03,;3.74,.74,;3.74,2.28,;5.07,-.03,;5.07,-1.57,;6.4,-2.34,;3.73,-2.34,;3.73,-3.88,;5.06,-4.65,;5.06,-6.19,;6.39,-6.96,;7.73,-6.19,;7.73,-4.65,;6.39,-3.88,;9.06,-6.96,;9.06,-8.5,;10.39,-6.19,;11.74,-6.96,;13.14,-6.32,;14.17,-7.47,;13.42,-8.8,;11.91,-8.48,;6.42,.72,;7.73,-.05,;9.08,.72,;9.08,2.26,;10.41,3.03,;11.74,2.24,;13.07,1.49,;12.51,3.59,;10.97,.93,;7.75,3.03,;6.42,2.26,)| Show InChI InChI=1S/C29H32F3N7O4/c1-27(2,3)20-12-14-28(15-13-20)16-23(40)39(21-8-10-22(11-9-21)43-29(30,31)32)26(42)38(28)17-18-4-6-19(7-5-18)24(41)33-25-34-36-37-35-25/h4-11,20H,12-17H2,1-3H3,(H2,33,34,35,36,37,41) | PDB
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| n/a | n/a | 1.97E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against glucagon-induced cAMP accumulation in human glucagon receptor transfected CHO cells |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171835
(4-[9-tert-Butyl-2-oxo-3-(4-trifluoromethoxy-phenyl...)Show SMILES CC(C)(C)C1CCC2(CC1)CCN(C(=O)N2Cc1ccc(cc1)C(=O)NCc1nnn[nH]1)c1ccc(OC(F)(F)F)cc1 |(-4.31,-6.3,;-3.21,-5.21,;-4.31,-4.11,;-2.11,-6.3,;-2.11,-4.13,;-.89,-2.43,;.63,-3.36,;2.85,-3.08,;1.56,-4.36,;.1,-3.82,;2.87,-1.54,;4.21,-.78,;5.54,-1.55,;5.53,-3.08,;6.86,-3.86,;4.18,-3.86,;4.18,-5.4,;5.51,-6.16,;5.51,-7.7,;6.84,-8.47,;8.19,-7.7,;8.19,-6.16,;6.84,-5.39,;9.52,-8.47,;9.52,-10.01,;10.85,-7.7,;12.18,-8.47,;12.2,-10.01,;10.97,-10.92,;11.47,-12.38,;13.01,-12.36,;13.46,-10.89,;6.86,-.79,;8.19,-1.56,;9.52,-.8,;9.54,.74,;10.88,1.51,;12.21,.72,;13.53,-.03,;12.97,2.08,;11.43,-.59,;8.19,1.52,;6.86,.75,)| Show InChI InChI=1S/C30H36F3N7O3/c1-28(2,3)22-12-14-29(15-13-22)16-17-39(23-8-10-24(11-9-23)43-30(31,32)33)27(42)40(29)19-20-4-6-21(7-5-20)26(41)34-18-25-35-37-38-36-25/h4-11,22H,12-19H2,1-3H3,(H,34,41)(H,35,36,37,38) | PDB
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| n/a | n/a | 1.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against glucagon-induced cAMP accumulation in human glucagon receptor transfected CHO cells |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50171837
(4-(8-tert-Butyl-3-isopropyl-2-oxo-1,3-diaza-spiro[...)Show SMILES CC(C)N1CC2(CCC(CC2)C(C)(C)C)N(Cc2ccc(cc2)C(=O)Nc2nnn[nH]2)C1=O |(10.86,-.63,;9.34,-.46,;8.71,.93,;8.43,-1.7,;6.9,-1.7,;6.44,-3.16,;4.21,-3.44,;2.7,-2.51,;1.49,-4.21,;3.7,-3.91,;5.14,-4.44,;.4,-5.28,;-.69,-4.18,;1.49,-6.37,;-.69,-6.37,;7.66,-4.07,;7.66,-5.6,;8.99,-6.37,;8.99,-7.9,;10.31,-8.66,;11.66,-7.9,;11.66,-6.34,;10.31,-5.58,;12.98,-8.66,;12.98,-10.19,;14.3,-7.87,;15.62,-8.64,;15.81,-10.17,;17.29,-10.47,;18.06,-9.15,;17.04,-8.01,;8.92,-3.16,;10.36,-3.65,)| Show InChI InChI=1S/C24H35N7O2/c1-16(2)30-15-24(12-10-19(11-13-24)23(3,4)5)31(22(30)33)14-17-6-8-18(9-7-17)20(32)25-21-26-28-29-27-21/h6-9,16,19H,10-15H2,1-5H3,(H2,25,26,27,28,29,32) | PDB
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| n/a | n/a | 2.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against glucagon-induced cAMP accumulation in human glucagon receptor transfected CHO cells |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Glucagon-like peptide 1 receptor
(Homo sapiens (Human)) | BDBM50171819
(4-[9-tert-Butyl-2-oxo-3-(4-trifluoromethoxy-phenyl...)Show SMILES CC(C)(C)C1CCC2(CC1)CCN(C(=O)N2Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)c1ccc(OC(F)(F)F)cc1 |(-2.46,-2.45,;-3.55,-1.37,;-4.65,-2.45,;-4.65,-.28,;-2.46,-.29,;-.25,.02,;1.21,-.52,;2.5,.76,;.28,.48,;-1.23,1.41,;2.51,2.3,;3.85,3.05,;5.17,2.28,;5.17,.76,;6.5,-.02,;3.82,-.02,;3.82,-1.56,;5.15,-2.33,;5.15,-3.86,;6.48,-4.63,;7.82,-3.86,;7.82,-2.31,;6.48,-1.54,;9.15,-4.63,;9.15,-6.17,;10.48,-3.85,;11.81,-4.62,;13.22,-3.99,;14.25,-5.13,;13.48,-6.45,;11.98,-6.14,;6.5,3.04,;6.5,4.58,;7.83,5.34,;9.17,4.58,;10.5,5.33,;11.83,4.55,;11.05,3.23,;13.16,3.79,;12.59,5.9,;9.15,3.03,;7.83,2.27,)| Show InChI InChI=1S/C29H34F3N7O3/c1-27(2,3)21-12-14-28(15-13-21)16-17-38(22-8-10-23(11-9-22)42-29(30,31)32)26(41)39(28)18-19-4-6-20(7-5-19)24(40)33-25-34-36-37-35-25/h4-11,21H,12-18H2,1-3H3,(H2,33,34,35,36,37,40) | PDB
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| n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human glucagon-like peptide 1 receptor (hGLP1) mediated cAMP accumulation |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50171819
(4-[9-tert-Butyl-2-oxo-3-(4-trifluoromethoxy-phenyl...)Show SMILES CC(C)(C)C1CCC2(CC1)CCN(C(=O)N2Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)c1ccc(OC(F)(F)F)cc1 |(-2.46,-2.45,;-3.55,-1.37,;-4.65,-2.45,;-4.65,-.28,;-2.46,-.29,;-.25,.02,;1.21,-.52,;2.5,.76,;.28,.48,;-1.23,1.41,;2.51,2.3,;3.85,3.05,;5.17,2.28,;5.17,.76,;6.5,-.02,;3.82,-.02,;3.82,-1.56,;5.15,-2.33,;5.15,-3.86,;6.48,-4.63,;7.82,-3.86,;7.82,-2.31,;6.48,-1.54,;9.15,-4.63,;9.15,-6.17,;10.48,-3.85,;11.81,-4.62,;13.22,-3.99,;14.25,-5.13,;13.48,-6.45,;11.98,-6.14,;6.5,3.04,;6.5,4.58,;7.83,5.34,;9.17,4.58,;10.5,5.33,;11.83,4.55,;11.05,3.23,;13.16,3.79,;12.59,5.9,;9.15,3.03,;7.83,2.27,)| Show InChI InChI=1S/C29H34F3N7O3/c1-27(2,3)21-12-14-28(15-13-21)16-17-38(22-8-10-23(11-9-22)42-29(30,31)32)26(41)39(28)18-19-4-6-20(7-5-19)24(40)33-25-34-36-37-35-25/h4-11,21H,12-18H2,1-3H3,(H2,33,34,35,36,37,40) | PDB
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| n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Potassium channel hERG |
Bioorg Med Chem Lett 15: 4564-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F |
More data for this
Ligand-Target Pair | |
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