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Compile Data Set for Download or QSAR

Found 244 hits with Last Name = 'szalkowski' and Initial = 'd'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glucagon receptor


(Homo sapiens (Human))
BDBM50244265
PNG
(CHEMBL480113 | trans-4-((4-tert-butylcyclohexyl)(1...)
Show SMILES CCCOc1ccc2nc(N(Cc3ccc(cc3)C(=O)Nc3nnn[nH]3)[C@H]3CC[C@@H](CC3)C(C)(C)C)n(C)c2c1 |r,wU:26.27,wD:29.34,(9.13,-42.84,;9.87,-44.19,;11.41,-44.22,;12.15,-45.57,;13.69,-45.6,;14.49,-44.28,;16.03,-44.32,;16.76,-45.67,;18.26,-46.03,;18.38,-47.56,;19.71,-48.34,;19.71,-49.88,;21.04,-50.66,;22.37,-49.89,;23.7,-50.67,;23.69,-52.21,;22.34,-52.97,;21.02,-52.19,;25.02,-52.99,;25.01,-54.53,;26.36,-52.22,;27.68,-53,;28.2,-54.45,;29.74,-54.42,;30.18,-52.94,;28.91,-52.06,;21.04,-47.58,;21.05,-46.04,;22.39,-45.28,;23.72,-46.06,;23.71,-47.6,;22.37,-48.36,;25.06,-45.3,;26.39,-44.52,;25.83,-46.64,;24.3,-43.97,;16.96,-48.15,;16.19,-49.49,;15.96,-46.98,;14.43,-46.95,)|
Show InChI InChI=1S/C30H40N8O2/c1-6-17-40-24-15-16-25-26(18-24)37(5)29(31-25)38(23-13-11-22(12-14-23)30(2,3)4)19-20-7-9-21(10-8-20)27(39)32-28-33-35-36-34-28/h7-10,15-16,18,22-23H,6,11-14,17,19H2,1-5H3,(H2,32,33,34,35,36,39)/t22-,23-
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells


Bioorg Med Chem Lett 18: 3701-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.072
BindingDB Entry DOI: 10.7270/Q26Q1X25
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50244238
PNG
(CHEMBL499372 | trans-4-(((5-(benzyloxy)-1-methyl-1...)
Show SMILES Cn1c(nc2cc(OCc3ccccc3)ccc12)N(Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)[C@H]1CC[C@@H](CC1)C(C)(C)C |r,wU:34.38,wD:37.45,(-7.9,-48.6,;-7.12,-47.26,;-5.7,-46.67,;-5.82,-45.14,;-7.32,-44.78,;-8.06,-43.43,;-9.59,-43.39,;-10.33,-42.04,;-9.53,-40.73,;-10.27,-39.37,;-9.47,-38.06,;-10.21,-36.71,;-11.75,-36.67,;-12.55,-37.99,;-11.81,-39.34,;-10.4,-44.71,;-9.66,-46.06,;-8.13,-46.09,;-4.37,-47.45,;-4.38,-48.99,;-3.05,-49.77,;-1.72,-49,;-.39,-49.78,;-.4,-51.32,;-1.74,-52.08,;-3.07,-51.3,;.93,-52.1,;.92,-53.64,;2.27,-51.33,;3.6,-52.11,;4.12,-53.56,;5.66,-53.52,;6.1,-52.05,;4.83,-51.17,;-3.04,-46.69,;-3.04,-45.15,;-1.69,-44.39,;-.36,-45.17,;-.38,-46.71,;-1.71,-47.47,;.98,-44.41,;2.3,-43.63,;1.75,-45.75,;.21,-43.08,)|
Show InChI InChI=1S/C34H40N8O2/c1-34(2,3)26-14-16-27(17-15-26)42(21-23-10-12-25(13-11-23)31(43)36-32-37-39-40-38-32)33-35-29-20-28(18-19-30(29)41(33)4)44-22-24-8-6-5-7-9-24/h5-13,18-20,26-27H,14-17,21-22H2,1-4H3,(H2,36,37,38,39,40,43)/t26-,27-
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells


Bioorg Med Chem Lett 18: 3701-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.072
BindingDB Entry DOI: 10.7270/Q26Q1X25
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50244236
PNG
(CHEMBL500315 | trans-4-(((4-tert-butylcyclohexyl)(...)
Show SMILES Cn1c(nc2cc(OC3CCCC3)ccc12)N(Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)[C@H]1CC[C@@H](CC1)C(C)(C)C |r,wU:32.36,wD:35.43,(16.18,-49.49,;16.96,-48.15,;18.38,-47.56,;18.26,-46.02,;16.76,-45.67,;16.03,-44.32,;14.49,-44.28,;13.75,-42.93,;14.55,-41.62,;16.09,-41.49,;16.44,-39.99,;15.13,-39.19,;13.96,-40.19,;13.69,-45.6,;14.43,-46.95,;15.96,-46.98,;19.71,-48.34,;19.71,-49.88,;21.04,-50.66,;22.37,-49.89,;23.69,-50.66,;23.69,-52.21,;22.34,-52.97,;21.02,-52.19,;25.02,-52.98,;25.01,-54.52,;26.36,-52.22,;27.68,-53,;28.2,-54.45,;29.74,-54.41,;30.18,-52.94,;28.91,-52.06,;21.04,-47.58,;21.05,-46.04,;22.39,-45.28,;23.72,-46.06,;23.71,-47.6,;22.37,-48.36,;25.06,-45.3,;26.39,-44.52,;25.83,-46.64,;24.3,-43.97,)|
Show InChI InChI=1S/C32H42N8O2/c1-32(2,3)23-13-15-24(16-14-23)40(20-21-9-11-22(12-10-21)29(41)34-30-35-37-38-36-30)31-33-27-19-26(17-18-28(27)39(31)4)42-25-7-5-6-8-25/h9-12,17-19,23-25H,5-8,13-16,20H2,1-4H3,(H2,34,35,36,37,38,41)/t23-,24-
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells


Bioorg Med Chem Lett 18: 3701-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.072
BindingDB Entry DOI: 10.7270/Q26Q1X25
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50358368
PNG
(CHEMBL1922834)
Show SMILES CCCOc1cc(cc2n(Cc3ccc(cc3)C(=O)Nc3nnn[nH]3)c(=Nc3ccc(OC(F)(F)F)cc3)n(C)c12)C(F)(F)F |w:26.28|
Show InChI InChI=1S/C28H24F6N8O3/c1-3-12-44-22-14-18(27(29,30)31)13-21-23(22)41(2)26(35-19-8-10-20(11-9-19)45-28(32,33)34)42(21)15-16-4-6-17(7-5-16)24(43)36-25-37-39-40-38-25/h4-11,13-14H,3,12,15H2,1-2H3,(H2,36,37,38,39,40,43)
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n/an/a 1.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells after 4 to 12 hrs by scintillation counting


Bioorg Med Chem Lett 21: 7131-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.085
BindingDB Entry DOI: 10.7270/Q2C829QP
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50358360
PNG
(CHEMBL1922708)
Show SMILES CCCCc1cc(cc2n(Cc3ccc(cc3)C(=O)Nc3nnn[nH]3)c(=Nc3ccc(OC(F)(F)F)cc3)n(C)c12)C(F)(F)F |w:26.28|
Show InChI InChI=1S/C29H26F6N8O2/c1-3-4-5-19-14-20(28(30,31)32)15-23-24(19)42(2)27(36-21-10-12-22(13-11-21)45-29(33,34)35)43(23)16-17-6-8-18(9-7-17)25(44)37-26-38-40-41-39-26/h6-15H,3-5,16H2,1-2H3,(H2,37,38,39,40,41,44)
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n/an/a 1.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells after 4 to 12 hrs by scintillation counting


Bioorg Med Chem Lett 21: 7131-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.085
BindingDB Entry DOI: 10.7270/Q2C829QP
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50244237
PNG
(CHEMBL448921 | trans-4-(((4-tert-butylcyclohexyl)(...)
Show SMILES Cn1c(nc2cc(OCC3CCCC3)ccc12)N(Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)[C@H]1CC[C@@H](CC1)C(C)(C)C |r,wU:33.37,wD:36.44,(-7.9,-48.6,;-7.12,-47.26,;-5.7,-46.67,;-5.82,-45.13,;-7.32,-44.78,;-8.06,-43.43,;-9.59,-43.39,;-10.33,-42.04,;-9.53,-40.73,;-10.27,-39.37,;-9.61,-37.98,;-10.73,-36.92,;-12.08,-37.66,;-11.8,-39.17,;-10.4,-44.71,;-9.66,-46.06,;-8.13,-46.09,;-4.37,-47.45,;-4.38,-48.99,;-3.05,-49.77,;-1.72,-49,;-.39,-49.77,;-.4,-51.32,;-1.74,-52.08,;-3.07,-51.3,;.93,-52.09,;.92,-53.63,;2.27,-51.33,;3.6,-52.11,;4.12,-53.56,;5.66,-53.52,;6.1,-52.05,;4.83,-51.17,;-3.04,-46.69,;-3.04,-45.15,;-1.69,-44.39,;-.36,-45.17,;-.38,-46.71,;-1.71,-47.47,;.98,-44.41,;2.3,-43.63,;1.75,-45.75,;.21,-43.08,)|
Show InChI InChI=1S/C33H44N8O2/c1-33(2,3)25-13-15-26(16-14-25)41(20-22-9-11-24(12-10-22)30(42)35-31-36-38-39-37-31)32-34-28-19-27(17-18-29(28)40(32)4)43-21-23-7-5-6-8-23/h9-12,17-19,23,25-26H,5-8,13-16,20-21H2,1-4H3,(H2,35,36,37,38,39,42)/t25-,26-
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells


Bioorg Med Chem Lett 18: 3701-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.072
BindingDB Entry DOI: 10.7270/Q26Q1X25
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50244235
PNG
(CHEMBL480692 | trans-4-(((4-tert-butylcyclohexyl)(...)
Show SMILES CCCOc1ccc2n(C)c(nc2c1)N(Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)[C@H]1CC[C@@H](CC1)C(C)(C)C |r,wU:30.33,wD:33.40,(15,-40.17,;14.2,-41.49,;14.94,-42.84,;14.14,-44.16,;14.88,-45.51,;14.07,-46.83,;14.81,-48.17,;16.34,-48.21,;17.35,-49.38,;16.57,-50.71,;18.77,-48.79,;18.65,-47.25,;17.15,-46.9,;16.41,-45.55,;20.1,-49.57,;20.09,-51.11,;21.42,-51.88,;22.75,-51.12,;24.08,-51.89,;24.07,-53.43,;22.73,-54.2,;21.4,-53.42,;25.4,-54.21,;25.39,-55.75,;26.74,-53.45,;28.07,-54.23,;28.59,-55.68,;30.13,-55.64,;30.57,-54.16,;29.3,-53.29,;21.43,-48.8,;21.43,-47.27,;22.78,-46.51,;24.11,-47.29,;24.09,-48.83,;22.76,-49.58,;25.45,-46.53,;26.77,-45.75,;26.22,-47.86,;24.68,-45.19,)|
Show InChI InChI=1S/C30H40N8O2/c1-6-17-40-24-15-16-26-25(18-24)31-29(37(26)5)38(23-13-11-22(12-14-23)30(2,3)4)19-20-7-9-21(10-8-20)27(39)32-28-33-35-36-34-28/h7-10,15-16,18,22-23H,6,11-14,17,19H2,1-5H3,(H2,32,33,34,35,36,39)/t22-,23-
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells


Bioorg Med Chem Lett 18: 3701-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.072
BindingDB Entry DOI: 10.7270/Q26Q1X25
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50244234
PNG
(CHEMBL518939 | trans-4-(((4-tert-butylcyclohexyl)(...)
Show SMILES CCOc1ccc2n(C)c(nc2c1)N(Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)[C@H]1CC[C@@H](CC1)C(C)(C)C |r,wU:29.32,wD:32.39,(-10.27,-39.37,;-9.53,-40.73,;-10.33,-42.04,;-9.59,-43.39,;-10.4,-44.71,;-9.66,-46.06,;-8.13,-46.09,;-7.12,-47.26,;-7.9,-48.6,;-5.7,-46.67,;-5.82,-45.14,;-7.32,-44.78,;-8.06,-43.43,;-4.37,-47.45,;-4.38,-48.99,;-3.05,-49.77,;-1.72,-49,;-.39,-49.78,;-.4,-51.32,;-1.74,-52.08,;-3.07,-51.3,;.93,-52.1,;.92,-53.64,;2.27,-51.33,;3.6,-52.11,;4.12,-53.56,;5.66,-53.52,;6.1,-52.05,;4.83,-51.17,;-3.04,-46.69,;-3.04,-45.15,;-1.69,-44.39,;-.36,-45.17,;-.38,-46.71,;-1.71,-47.47,;.98,-44.41,;2.3,-43.63,;1.75,-45.75,;.21,-43.08,)|
Show InChI InChI=1S/C29H38N8O2/c1-6-39-23-15-16-25-24(17-23)30-28(36(25)5)37(22-13-11-21(12-14-22)29(2,3)4)18-19-7-9-20(10-8-19)26(38)31-27-32-34-35-33-27/h7-10,15-17,21-22H,6,11-14,18H2,1-5H3,(H2,31,32,33,34,35,38)/t21-,22-
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells


Bioorg Med Chem Lett 18: 3701-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.072
BindingDB Entry DOI: 10.7270/Q26Q1X25
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50244199
PNG
(CHEMBL458145 | trans-4-(((4-tert-butylcyclohexyl)(...)
Show SMILES Cn1c(nc2cc(O)ccc12)N(Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)[C@H]1CC[C@@H](CC1)C(C)(C)C |r,wU:27.30,wD:30.37,(-7.23,-33.1,;-6.46,-31.77,;-5.03,-31.18,;-5.16,-29.64,;-6.66,-29.29,;-7.39,-27.94,;-8.93,-27.9,;-9.67,-26.55,;-9.73,-29.22,;-8.99,-30.57,;-7.46,-30.6,;-3.7,-31.96,;-3.71,-33.5,;-2.38,-34.28,;-1.05,-33.51,;.28,-34.28,;.27,-35.83,;-1.08,-36.59,;-2.4,-35.81,;1.6,-36.6,;1.59,-38.14,;2.94,-35.84,;4.27,-36.62,;4.79,-38.07,;6.32,-38.03,;6.76,-36.56,;5.5,-35.68,;-2.37,-31.2,;-2.37,-29.66,;-1.02,-28.9,;.31,-29.68,;.29,-31.22,;-1.04,-31.98,;1.65,-28.92,;2.97,-28.14,;2.42,-30.26,;.88,-27.59,)|
Show InChI InChI=1S/C27H34N8O2/c1-27(2,3)19-9-11-20(12-10-19)35(26-28-22-15-21(36)13-14-23(22)34(26)4)16-17-5-7-18(8-6-17)24(37)29-25-30-32-33-31-25/h5-8,13-15,19-20,36H,9-12,16H2,1-4H3,(H2,29,30,31,32,33,37)/t19-,20-
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells


Bioorg Med Chem Lett 18: 3701-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.072
BindingDB Entry DOI: 10.7270/Q26Q1X25
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50358373
PNG
(CHEMBL1922839)
Show SMILES CCCOc1cc(cc2n(Cc3ccc(cc3)C(=O)Nc3nnn[nH]3)c(=Nc3ccc(cc3)C(C)(C)C)n(C)c12)C(F)(F)F |w:26.28|
Show InChI InChI=1S/C31H33F3N8O2/c1-6-15-44-25-17-22(31(32,33)34)16-24-26(25)41(5)29(35-23-13-11-21(12-14-23)30(2,3)4)42(24)18-19-7-9-20(10-8-19)27(43)36-28-37-39-40-38-28/h7-14,16-17H,6,15,18H2,1-5H3,(H2,36,37,38,39,40,43)
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n/an/a 2.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells after 4 to 12 hrs by scintillation counting


Bioorg Med Chem Lett 21: 7131-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.085
BindingDB Entry DOI: 10.7270/Q2C829QP
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50358366
PNG
(CHEMBL1922714)
Show SMILES CCOc1cc(cc2n(Cc3ccc(cc3)C(=O)Nc3nnn[nH]3)c(=Nc3ccc(OC(F)(F)F)cc3)n(C)c12)C(F)(F)F |w:25.27|
Show InChI InChI=1S/C27H22F6N8O3/c1-3-43-21-13-17(26(28,29)30)12-20-22(21)40(2)25(34-18-8-10-19(11-9-18)44-27(31,32)33)41(20)14-15-4-6-16(7-5-15)23(42)35-24-36-38-39-37-24/h4-13H,3,14H2,1-2H3,(H2,35,36,37,38,39,42)
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n/an/a 2.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells after 4 to 12 hrs by scintillation counting


Bioorg Med Chem Lett 21: 7131-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.085
BindingDB Entry DOI: 10.7270/Q2C829QP
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50358370
PNG
(CHEMBL1922836)
Show SMILES CCCCOc1cc(cc2n(Cc3ccc(cc3)C(=O)Nc3nnn[nH]3)c(=Nc3ccc(OC(F)(F)F)cc3)n(C)c12)C(F)(F)F |w:27.29|
Show InChI InChI=1S/C29H26F6N8O3/c1-3-4-13-45-23-15-19(28(30,31)32)14-22-24(23)42(2)27(36-20-9-11-21(12-10-20)46-29(33,34)35)43(22)16-17-5-7-18(8-6-17)25(44)37-26-38-40-41-39-26/h5-12,14-15H,3-4,13,16H2,1-2H3,(H2,37,38,39,40,41,44)
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n/an/a 3.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells after 4 to 12 hrs by scintillation counting


Bioorg Med Chem Lett 21: 7131-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.085
BindingDB Entry DOI: 10.7270/Q2C829QP
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50358346
PNG
(CHEMBL1922696)
Show SMILES Cn1c2cc(Cl)c(Cl)cc2n(Cc2ccc(cc2)C(=O)Nc2nnn[nH]2)c1=Nc1ccc(OC(F)(F)F)cc1 |w:27.31|
Show InChI InChI=1S/C24H17Cl2F3N8O2/c1-36-19-10-17(25)18(26)11-20(19)37(23(36)30-15-6-8-16(9-7-15)39-24(27,28)29)12-13-2-4-14(5-3-13)21(38)31-22-32-34-35-33-22/h2-11H,12H2,1H3,(H2,31,32,33,34,35,38)
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells after 4 to 12 hrs by scintillation counting


Bioorg Med Chem Lett 21: 7131-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.085
BindingDB Entry DOI: 10.7270/Q2C829QP
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50244235
PNG
(CHEMBL480692 | trans-4-(((4-tert-butylcyclohexyl)(...)
Show SMILES CCCOc1ccc2n(C)c(nc2c1)N(Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)[C@H]1CC[C@@H](CC1)C(C)(C)C |r,wU:30.33,wD:33.40,(15,-40.17,;14.2,-41.49,;14.94,-42.84,;14.14,-44.16,;14.88,-45.51,;14.07,-46.83,;14.81,-48.17,;16.34,-48.21,;17.35,-49.38,;16.57,-50.71,;18.77,-48.79,;18.65,-47.25,;17.15,-46.9,;16.41,-45.55,;20.1,-49.57,;20.09,-51.11,;21.42,-51.88,;22.75,-51.12,;24.08,-51.89,;24.07,-53.43,;22.73,-54.2,;21.4,-53.42,;25.4,-54.21,;25.39,-55.75,;26.74,-53.45,;28.07,-54.23,;28.59,-55.68,;30.13,-55.64,;30.57,-54.16,;29.3,-53.29,;21.43,-48.8,;21.43,-47.27,;22.78,-46.51,;24.11,-47.29,;24.09,-48.83,;22.76,-49.58,;25.45,-46.53,;26.77,-45.75,;26.22,-47.86,;24.68,-45.19,)|
Show InChI InChI=1S/C30H40N8O2/c1-6-17-40-24-15-16-26-25(18-24)31-29(37(26)5)38(23-13-11-22(12-14-23)30(2,3)4)19-20-7-9-21(10-8-20)27(39)32-28-33-35-36-34-28/h7-10,15-16,18,22-23H,6,11-14,17,19H2,1-5H3,(H2,32,33,34,35,36,39)/t22-,23-
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against human GCGR expressed in CHO cells assessed as glucagon-induced cAMP accumulation


Bioorg Med Chem Lett 18: 3701-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.072
BindingDB Entry DOI: 10.7270/Q26Q1X25
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50244264
PNG
(CHEMBL471979 | trans-4-(((4-tert-butylcyclohexyl)(...)
Show SMILES COc1ccc2nc(N(Cc3ccc(cc3)C(=O)Nc3nnn[nH]3)[C@H]3CC[C@@H](CC3)C(C)(C)C)n(C)c2c1 |r,wU:24.25,wD:27.32,(11.41,-44.22,;12.15,-45.57,;13.69,-45.6,;14.49,-44.28,;16.03,-44.32,;16.76,-45.67,;18.26,-46.03,;18.38,-47.56,;19.72,-48.34,;19.71,-49.88,;21.04,-50.66,;22.37,-49.89,;23.7,-50.67,;23.69,-52.21,;22.34,-52.97,;21.02,-52.19,;25.02,-52.99,;25.01,-54.53,;26.36,-52.23,;27.69,-53.01,;28.2,-54.45,;29.74,-54.42,;30.18,-52.94,;28.91,-52.07,;21.04,-47.58,;21.05,-46.04,;22.39,-45.28,;23.72,-46.06,;23.71,-47.61,;22.37,-48.36,;25.06,-45.31,;26.39,-44.53,;25.84,-46.64,;24.3,-43.97,;16.96,-48.16,;16.19,-49.49,;15.96,-46.98,;14.43,-46.95,)|
Show InChI InChI=1S/C28H36N8O2/c1-28(2,3)20-10-12-21(13-11-20)36(27-29-23-15-14-22(38-5)16-24(23)35(27)4)17-18-6-8-19(9-7-18)25(37)30-26-31-33-34-32-26/h6-9,14-16,20-21H,10-13,17H2,1-5H3,(H2,30,31,32,33,34,37)/t20-,21-
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells


Bioorg Med Chem Lett 18: 3701-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.072
BindingDB Entry DOI: 10.7270/Q26Q1X25
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50244122
PNG
(CHEMBL459457 | trans-4-(((4-tert-butylcyclohexyl)(...)
Show SMILES Cn1c(nc2ccccc12)N(Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)[C@H]1CC[C@@H](CC1)C(C)(C)C |r,wU:26.29,wD:29.36,(21.92,-38.87,;22.27,-37.38,;23.7,-36.78,;23.58,-35.25,;22.08,-34.89,;21.34,-33.54,;19.8,-33.5,;19,-34.82,;19.74,-36.17,;21.27,-36.2,;25.03,-37.56,;25.02,-39.1,;26.35,-39.88,;27.68,-39.11,;29.01,-39.89,;29,-41.43,;27.66,-42.19,;26.33,-41.41,;30.33,-42.21,;30.32,-43.75,;31.67,-41.45,;33,-42.22,;33.52,-43.67,;35.06,-43.64,;35.5,-42.16,;34.23,-41.29,;26.36,-36.8,;26.36,-35.26,;27.71,-34.5,;29.04,-35.28,;29.02,-36.82,;27.69,-37.58,;30.38,-34.53,;31.7,-33.74,;31.15,-35.86,;29.61,-33.19,)|
Show InChI InChI=1S/C27H34N8O/c1-27(2,3)20-13-15-21(16-14-20)35(26-28-22-7-5-6-8-23(22)34(26)4)17-18-9-11-19(12-10-18)24(36)29-25-30-32-33-31-25/h5-12,20-21H,13-17H2,1-4H3,(H2,29,30,31,32,33,36)/t20-,21-
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells


Bioorg Med Chem Lett 18: 3701-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.072
BindingDB Entry DOI: 10.7270/Q26Q1X25
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50244233
PNG
(CHEMBL513067 | trans-4-(((4-tert-butylcyclohexyl)(...)
Show SMILES COc1ccc2n(C)c(nc2c1)N(Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)[C@H]1CC[C@@H](CC1)C(C)(C)C |r,wU:28.31,wD:31.38,(13.19,-24.98,;12.38,-26.29,;13.12,-27.64,;12.32,-28.96,;13.06,-30.31,;14.59,-30.34,;15.59,-31.52,;14.82,-32.85,;17.02,-30.92,;16.89,-29.39,;15.39,-29.03,;14.66,-27.68,;18.35,-31.7,;18.34,-33.24,;19.67,-34.02,;21,-33.25,;22.33,-34.03,;22.32,-35.57,;20.97,-36.33,;19.65,-35.55,;23.65,-36.35,;23.64,-37.89,;24.99,-35.59,;26.32,-36.37,;26.83,-37.81,;28.37,-37.78,;28.81,-36.3,;27.55,-35.43,;19.68,-30.94,;19.68,-29.4,;21.03,-28.64,;22.36,-29.42,;22.34,-30.96,;21.01,-31.72,;23.7,-28.67,;25.02,-27.89,;24.47,-30,;22.93,-27.33,)|
Show InChI InChI=1S/C28H36N8O2/c1-28(2,3)20-10-12-21(13-11-20)36(27-29-23-16-22(38-5)14-15-24(23)35(27)4)17-18-6-8-19(9-7-18)25(37)30-26-31-33-34-32-26/h6-9,14-16,20-21H,10-13,17H2,1-5H3,(H2,30,31,32,33,34,37)/t20-,21-
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells


Bioorg Med Chem Lett 18: 3701-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.072
BindingDB Entry DOI: 10.7270/Q26Q1X25
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50358362
PNG
(CHEMBL1922710)
Show SMILES CCc1cc(cc2n(Cc3ccc(cc3)C(=O)Nc3nnn[nH]3)c(=Nc3ccc(cc3)C(C)(C)C)n(C)c12)C(F)(F)F |w:24.26|
Show InChI InChI=1S/C30H31F3N8O/c1-6-19-15-22(30(31,32)33)16-24-25(19)40(5)28(34-23-13-11-21(12-14-23)29(2,3)4)41(24)17-18-7-9-20(10-8-18)26(42)35-27-36-38-39-37-27/h7-16H,6,17H2,1-5H3,(H2,35,36,37,38,39,42)
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n/an/a 4.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells after 4 to 12 hrs by scintillation counting


Bioorg Med Chem Lett 21: 7131-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.085
BindingDB Entry DOI: 10.7270/Q2C829QP
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50358810
PNG
(CHEMBL1922938)
Show SMILES CCCCC[C@@H](Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)c1cc2cc(OC(F)(F)F)ccc2n1-c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C34H32F6N2O5/c1-2-3-4-6-23(17-21-9-11-22(12-10-21)32(46)41-16-15-30(43)44)31(45)29-19-24-18-27(47-34(38,39)40)13-14-28(24)42(29)26-8-5-7-25(20-26)33(35,36)37/h5,7-14,18-20,23H,2-4,6,15-17H2,1H3,(H,41,46)(H,43,44)/t23-/m0/s1
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n/an/a 5.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon from human glucagon receptor expressed in CHO cells after 4 to 12 hrs by scintillation proximity assay


Bioorg Med Chem Lett 21: 7124-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.105
BindingDB Entry DOI: 10.7270/Q2HT2PRF
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50358374
PNG
(CHEMBL1922840)
Show SMILES CCCOc1cc(cc2n(Cc3ccc(cc3)C(=O)Nc3nnn[nH]3)c(=Nc3ccc(cc3)C(F)(F)F)n(C)c12)C(F)(F)F |w:26.28|
Show InChI InChI=1S/C28H24F6N8O2/c1-3-12-44-22-14-19(28(32,33)34)13-21-23(22)41(2)26(35-20-10-8-18(9-11-20)27(29,30)31)42(21)15-16-4-6-17(7-5-16)24(43)36-25-37-39-40-38-25/h4-11,13-14H,3,12,15H2,1-2H3,(H2,36,37,38,39,40,43)
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n/an/a 6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells after 4 to 12 hrs by scintillation counting


Bioorg Med Chem Lett 21: 7131-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.085
BindingDB Entry DOI: 10.7270/Q2C829QP
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50244266
PNG
(CHEMBL472154 | trans-4-(((4-tert-butylcyclohexyl)(...)
Show SMILES Cn1c(nc2cc(F)ccc12)N(Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)[C@H]1CC[C@@H](CC1)C(C)(C)C |r,wU:27.30,wD:30.37,(16.19,-49.49,;16.96,-48.16,;18.38,-47.56,;18.26,-46.03,;16.76,-45.67,;16.03,-44.32,;14.49,-44.28,;13.75,-42.93,;13.69,-45.6,;14.43,-46.95,;15.96,-46.98,;19.72,-48.34,;19.71,-49.88,;21.04,-50.66,;22.37,-49.89,;23.7,-50.67,;23.69,-52.21,;22.34,-52.97,;21.02,-52.19,;25.02,-52.99,;25.01,-54.53,;26.36,-52.23,;27.69,-53.01,;28.2,-54.45,;29.74,-54.42,;30.18,-52.94,;28.91,-52.07,;21.04,-47.58,;21.05,-46.04,;22.39,-45.28,;23.72,-46.06,;23.71,-47.61,;22.37,-48.36,;25.06,-45.31,;26.39,-44.53,;25.84,-46.64,;24.3,-43.97,)|
Show InChI InChI=1S/C27H33FN8O/c1-27(2,3)19-9-12-21(13-10-19)36(26-29-22-15-20(28)11-14-23(22)35(26)4)16-17-5-7-18(8-6-17)24(37)30-25-31-33-34-32-25/h5-8,11,14-15,19,21H,9-10,12-13,16H2,1-4H3,(H2,30,31,32,33,34,37)/t19-,21-
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n/an/a 6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells


Bioorg Med Chem Lett 18: 3701-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.072
BindingDB Entry DOI: 10.7270/Q26Q1X25
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50244300
PNG
(CHEMBL470955 | trans-4-(((4-tert-butylcyclohexyl)(...)
Show SMILES Cc1cc2nc(N(Cc3ccc(cc3)C(=O)Nc3nnn[nH]3)[C@H]3CC[C@@H](CC3)C(C)(C)C)n(C)c2cc1C |r,wU:22.23,wD:25.30,(13.75,-42.93,;14.49,-44.28,;16.03,-44.32,;16.76,-45.67,;18.26,-46.03,;18.38,-47.56,;19.71,-48.34,;19.71,-49.88,;21.04,-50.66,;22.37,-49.89,;23.7,-50.67,;23.69,-52.21,;22.34,-52.97,;21.02,-52.19,;25.02,-52.99,;25.01,-54.53,;26.36,-52.23,;27.68,-53,;28.2,-54.45,;29.74,-54.42,;30.18,-52.94,;28.91,-52.07,;21.04,-47.58,;21.05,-46.04,;22.39,-45.28,;23.72,-46.06,;23.71,-47.6,;22.37,-48.36,;25.06,-45.31,;26.39,-44.52,;25.83,-46.64,;24.3,-43.97,;16.96,-48.16,;16.19,-49.49,;15.96,-46.98,;14.43,-46.95,;13.69,-45.6,;12.15,-45.57,)|
Show InChI InChI=1S/C29H38N8O/c1-18-15-24-25(16-19(18)2)36(6)28(30-24)37(23-13-11-22(12-14-23)29(3,4)5)17-20-7-9-21(10-8-20)26(38)31-27-32-34-35-33-27/h7-10,15-16,22-23H,11-14,17H2,1-6H3,(H2,31,32,33,34,35,38)/t22-,23-
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n/an/a 6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells


Bioorg Med Chem Lett 18: 3701-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.072
BindingDB Entry DOI: 10.7270/Q26Q1X25
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50358375
PNG
(CHEMBL1922841)
Show SMILES CCCOc1cc(cc2n(Cc3ccc(cc3)C(=O)Nc3nnn[nH]3)c(=Nc3cccc(OC(F)(F)F)c3)n(C)c12)C(F)(F)F |w:26.28|
Show InChI InChI=1S/C28H24F6N8O3/c1-3-11-44-22-13-18(27(29,30)31)12-21-23(22)41(2)26(35-19-5-4-6-20(14-19)45-28(32,33)34)42(21)15-16-7-9-17(10-8-16)24(43)36-25-37-39-40-38-25/h4-10,12-14H,3,11,15H2,1-2H3,(H2,36,37,38,39,40,43)
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n/an/a 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells after 4 to 12 hrs by scintillation counting


Bioorg Med Chem Lett 21: 7131-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.085
BindingDB Entry DOI: 10.7270/Q2C829QP
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50244238
PNG
(CHEMBL499372 | trans-4-(((5-(benzyloxy)-1-methyl-1...)
Show SMILES Cn1c(nc2cc(OCc3ccccc3)ccc12)N(Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)[C@H]1CC[C@@H](CC1)C(C)(C)C |r,wU:34.38,wD:37.45,(-7.9,-48.6,;-7.12,-47.26,;-5.7,-46.67,;-5.82,-45.14,;-7.32,-44.78,;-8.06,-43.43,;-9.59,-43.39,;-10.33,-42.04,;-9.53,-40.73,;-10.27,-39.37,;-9.47,-38.06,;-10.21,-36.71,;-11.75,-36.67,;-12.55,-37.99,;-11.81,-39.34,;-10.4,-44.71,;-9.66,-46.06,;-8.13,-46.09,;-4.37,-47.45,;-4.38,-48.99,;-3.05,-49.77,;-1.72,-49,;-.39,-49.78,;-.4,-51.32,;-1.74,-52.08,;-3.07,-51.3,;.93,-52.1,;.92,-53.64,;2.27,-51.33,;3.6,-52.11,;4.12,-53.56,;5.66,-53.52,;6.1,-52.05,;4.83,-51.17,;-3.04,-46.69,;-3.04,-45.15,;-1.69,-44.39,;-.36,-45.17,;-.38,-46.71,;-1.71,-47.47,;.98,-44.41,;2.3,-43.63,;1.75,-45.75,;.21,-43.08,)|
Show InChI InChI=1S/C34H40N8O2/c1-34(2,3)26-14-16-27(17-15-26)42(21-23-10-12-25(13-11-23)31(43)36-32-37-39-40-38-32)33-35-29-20-28(18-19-30(29)41(33)4)44-22-24-8-6-5-7-9-24/h5-13,18-20,26-27H,14-17,21-22H2,1-4H3,(H2,36,37,38,39,40,43)/t26-,27-
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n/an/a 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against human GCGR expressed in CHO cells assessed as glucagon-induced cAMP accumulation


Bioorg Med Chem Lett 18: 3701-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.072
BindingDB Entry DOI: 10.7270/Q26Q1X25
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50244298
PNG
(CHEMBL472325 | trans-4-(((5-bromo-1-methyl-1H-benz...)
Show SMILES Cn1c(nc2cc(Br)ccc12)N(Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)[C@H]1CC[C@@H](CC1)C(C)(C)C |r,wU:27.30,wD:30.37,(-7.9,-48.6,;-7.13,-47.27,;-5.7,-46.67,;-5.82,-45.14,;-7.32,-44.78,;-8.06,-43.44,;-9.59,-43.4,;-10.33,-42.04,;-10.4,-44.72,;-9.66,-46.06,;-8.13,-46.1,;-4.37,-47.45,;-4.38,-48.99,;-3.05,-49.77,;-1.72,-49,;-.39,-49.78,;-.4,-51.32,;-1.74,-52.08,;-3.07,-51.3,;.93,-52.1,;.92,-53.64,;2.27,-51.34,;3.6,-52.12,;4.12,-53.57,;5.66,-53.53,;6.1,-52.05,;4.83,-51.18,;-3.04,-46.69,;-3.04,-45.15,;-1.69,-44.39,;-.36,-45.18,;-.38,-46.72,;-1.71,-47.47,;.98,-44.42,;2.3,-43.64,;1.75,-45.75,;.21,-43.08,)|
Show InChI InChI=1S/C27H33BrN8O/c1-27(2,3)19-9-12-21(13-10-19)36(26-29-22-15-20(28)11-14-23(22)35(26)4)16-17-5-7-18(8-6-17)24(37)30-25-31-33-34-32-25/h5-8,11,14-15,19,21H,9-10,12-13,16H2,1-4H3,(H2,30,31,32,33,34,37)/t19-,21-
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n/an/a 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells


Bioorg Med Chem Lett 18: 3701-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.072
BindingDB Entry DOI: 10.7270/Q26Q1X25
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50358367
PNG
(CHEMBL1922715)
Show SMILES CCOc1cc(Cl)cc2n(Cc3ccc(cc3)C(=O)Nc3nnn[nH]3)c(=Nc3ccc(OC(F)(F)F)cc3)n(C)c12 |w:26.28|
Show InChI InChI=1S/C26H22ClF3N8O3/c1-3-40-21-13-17(27)12-20-22(21)37(2)25(31-18-8-10-19(11-9-18)41-26(28,29)30)38(20)14-15-4-6-16(7-5-15)23(39)32-24-33-35-36-34-24/h4-13H,3,14H2,1-2H3,(H2,32,33,34,35,36,39)
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n/an/a 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells after 4 to 12 hrs by scintillation counting


Bioorg Med Chem Lett 21: 7131-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.085
BindingDB Entry DOI: 10.7270/Q2C829QP
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50358371
PNG
(CHEMBL1922837)
Show SMILES CCCCOc1cc(Cl)cc2n(Cc3ccc(cc3)C(=O)Nc3nnn[nH]3)c(=Nc3ccc(OC(F)(F)F)cc3)n(C)c12 |w:28.30|
Show InChI InChI=1S/C28H26ClF3N8O3/c1-3-4-13-42-23-15-19(29)14-22-24(23)39(2)27(33-20-9-11-21(12-10-20)43-28(30,31)32)40(22)16-17-5-7-18(8-6-17)25(41)34-26-35-37-38-36-26/h5-12,14-15H,3-4,13,16H2,1-2H3,(H2,34,35,36,37,38,41)
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n/an/a 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells after 4 to 12 hrs by scintillation counting


Bioorg Med Chem Lett 21: 7131-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.085
BindingDB Entry DOI: 10.7270/Q2C829QP
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50358360
PNG
(CHEMBL1922708)
Show SMILES CCCCc1cc(cc2n(Cc3ccc(cc3)C(=O)Nc3nnn[nH]3)c(=Nc3ccc(OC(F)(F)F)cc3)n(C)c12)C(F)(F)F |w:26.28|
Show InChI InChI=1S/C29H26F6N8O2/c1-3-4-5-19-14-20(28(30,31)32)15-23-24(19)42(2)27(36-21-10-12-22(13-11-21)45-29(33,34)35)43(23)16-17-6-8-18(9-7-17)25(44)37-26-38-40-41-39-26/h6-15H,3-5,16H2,1-2H3,(H2,37,38,39,40,41,44)
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n/an/a 7.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human GCGR expressed in CHO cells assessed as inhibition of glucagon-induced [125I]cAMP accumulation after 30 mins by scintill...


Bioorg Med Chem Lett 21: 7131-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.085
BindingDB Entry DOI: 10.7270/Q2C829QP
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50358378
PNG
(CHEMBL1922844)
Show SMILES CCCOc1cc(cc2n(Cc3ccc(cc3)C(=O)Nc3nnn[nH]3)c(=Nc3ccc(F)c(c3)C(F)(F)F)n(C)c12)C(F)(F)F |w:26.28|
Show InChI InChI=1S/C28H23F7N8O2/c1-3-10-45-22-12-17(27(30,31)32)11-21-23(22)42(2)26(36-18-8-9-20(29)19(13-18)28(33,34)35)43(21)14-15-4-6-16(7-5-15)24(44)37-25-38-40-41-39-25/h4-9,11-13H,3,10,14H2,1-2H3,(H2,37,38,39,40,41,44)
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n/an/a 7.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells after 4 to 12 hrs by scintillation counting


Bioorg Med Chem Lett 21: 7131-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.085
BindingDB Entry DOI: 10.7270/Q2C829QP
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50244265
PNG
(CHEMBL480113 | trans-4-((4-tert-butylcyclohexyl)(1...)
Show SMILES CCCOc1ccc2nc(N(Cc3ccc(cc3)C(=O)Nc3nnn[nH]3)[C@H]3CC[C@@H](CC3)C(C)(C)C)n(C)c2c1 |r,wU:26.27,wD:29.34,(9.13,-42.84,;9.87,-44.19,;11.41,-44.22,;12.15,-45.57,;13.69,-45.6,;14.49,-44.28,;16.03,-44.32,;16.76,-45.67,;18.26,-46.03,;18.38,-47.56,;19.71,-48.34,;19.71,-49.88,;21.04,-50.66,;22.37,-49.89,;23.7,-50.67,;23.69,-52.21,;22.34,-52.97,;21.02,-52.19,;25.02,-52.99,;25.01,-54.53,;26.36,-52.22,;27.68,-53,;28.2,-54.45,;29.74,-54.42,;30.18,-52.94,;28.91,-52.06,;21.04,-47.58,;21.05,-46.04,;22.39,-45.28,;23.72,-46.06,;23.71,-47.6,;22.37,-48.36,;25.06,-45.3,;26.39,-44.52,;25.83,-46.64,;24.3,-43.97,;16.96,-48.15,;16.19,-49.49,;15.96,-46.98,;14.43,-46.95,)|
Show InChI InChI=1S/C30H40N8O2/c1-6-17-40-24-15-16-25-26(18-24)37(5)29(31-25)38(23-13-11-22(12-14-23)30(2,3)4)19-20-7-9-21(10-8-20)27(39)32-28-33-35-36-34-28/h7-10,15-16,18,22-23H,6,11-14,17,19H2,1-5H3,(H2,32,33,34,35,36,39)/t22-,23-
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n/an/a 8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against human GCGR expressed in CHO cells assessed as glucagon-induced cAMP accumulation


Bioorg Med Chem Lett 18: 3701-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.072
BindingDB Entry DOI: 10.7270/Q26Q1X25
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50358369
PNG
(CHEMBL1922835)
Show SMILES CCCOc1cc(Cl)cc2n(Cc3ccc(cc3)C(=O)Nc3nnn[nH]3)c(=Nc3ccc(OC(F)(F)F)cc3)n(C)c12 |w:27.29|
Show InChI InChI=1S/C27H24ClF3N8O3/c1-3-12-41-22-14-18(28)13-21-23(22)38(2)26(32-19-8-10-20(11-9-19)42-27(29,30)31)39(21)15-16-4-6-17(7-5-16)24(40)33-25-34-36-37-35-25/h4-11,13-14H,3,12,15H2,1-2H3,(H2,33,34,35,36,37,40)
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n/an/a 8.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells after 4 to 12 hrs by scintillation counting


Bioorg Med Chem Lett 21: 7131-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.085
BindingDB Entry DOI: 10.7270/Q2C829QP
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50358364
PNG
(CHEMBL1922712)
Show SMILES COc1cc(cc2n(Cc3ccc(cc3)C(=O)Nc3nnn[nH]3)c(=Nc3ccc(OC(F)(F)F)cc3)n(C)c12)C(F)(F)F |w:24.26|
Show InChI InChI=1S/C26H20F6N8O3/c1-39-21-19(11-16(25(27,28)29)12-20(21)42-2)40(24(39)33-17-7-9-18(10-8-17)43-26(30,31)32)13-14-3-5-15(6-4-14)22(41)34-23-35-37-38-36-23/h3-12H,13H2,1-2H3,(H2,34,35,36,37,38,41)
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n/an/a 8.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells after 4 to 12 hrs by scintillation counting


Bioorg Med Chem Lett 21: 7131-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.085
BindingDB Entry DOI: 10.7270/Q2C829QP
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50244236
PNG
(CHEMBL500315 | trans-4-(((4-tert-butylcyclohexyl)(...)
Show SMILES Cn1c(nc2cc(OC3CCCC3)ccc12)N(Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)[C@H]1CC[C@@H](CC1)C(C)(C)C |r,wU:32.36,wD:35.43,(16.18,-49.49,;16.96,-48.15,;18.38,-47.56,;18.26,-46.02,;16.76,-45.67,;16.03,-44.32,;14.49,-44.28,;13.75,-42.93,;14.55,-41.62,;16.09,-41.49,;16.44,-39.99,;15.13,-39.19,;13.96,-40.19,;13.69,-45.6,;14.43,-46.95,;15.96,-46.98,;19.71,-48.34,;19.71,-49.88,;21.04,-50.66,;22.37,-49.89,;23.69,-50.66,;23.69,-52.21,;22.34,-52.97,;21.02,-52.19,;25.02,-52.98,;25.01,-54.52,;26.36,-52.22,;27.68,-53,;28.2,-54.45,;29.74,-54.41,;30.18,-52.94,;28.91,-52.06,;21.04,-47.58,;21.05,-46.04,;22.39,-45.28,;23.72,-46.06,;23.71,-47.6,;22.37,-48.36,;25.06,-45.3,;26.39,-44.52,;25.83,-46.64,;24.3,-43.97,)|
Show InChI InChI=1S/C32H42N8O2/c1-32(2,3)23-13-15-24(16-14-23)40(20-21-9-11-22(12-10-21)29(41)34-30-35-37-38-36-30)31-33-27-19-26(17-18-28(27)39(31)4)42-25-7-5-6-8-25/h9-12,17-19,23-25H,5-8,13-16,20H2,1-4H3,(H2,34,35,36,37,38,41)/t23-,24-
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n/an/a 9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against human GCGR expressed in CHO cells assessed as glucagon-induced cAMP accumulation


Bioorg Med Chem Lett 18: 3701-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.072
BindingDB Entry DOI: 10.7270/Q26Q1X25
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50244337
PNG
(CHEMBL511964 | trans-4-(((4-tert-butylcyclohexyl)(...)
Show SMILES Cn1c(nc2cc(Cl)c(Cl)cc12)N(Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)[C@H]1CC[C@@H](CC1)C(C)(C)C |r,wU:28.31,wD:31.38,(37.8,-49.39,;38.58,-48.06,;40,-47.47,;39.88,-45.93,;38.38,-45.58,;37.65,-44.23,;36.11,-44.19,;35.37,-42.84,;35.31,-45.51,;33.77,-45.47,;36.05,-46.85,;37.58,-46.89,;41.33,-48.24,;41.33,-49.78,;42.66,-50.56,;43.99,-49.79,;45.31,-50.57,;45.31,-52.11,;43.96,-52.87,;42.64,-52.09,;46.64,-52.89,;46.63,-54.43,;47.97,-52.13,;49.3,-52.91,;49.82,-54.36,;51.36,-54.32,;51.8,-52.84,;50.53,-51.97,;42.66,-47.48,;42.67,-45.94,;44.01,-45.19,;45.34,-45.97,;45.32,-47.51,;43.99,-48.26,;46.68,-45.21,;48,-44.43,;47.45,-46.54,;45.92,-43.87,)|
Show InChI InChI=1S/C27H32Cl2N8O/c1-27(2,3)18-9-11-19(12-10-18)37(26-30-22-13-20(28)21(29)14-23(22)36(26)4)15-16-5-7-17(8-6-16)24(38)31-25-32-34-35-33-25/h5-8,13-14,18-19H,9-12,15H2,1-4H3,(H2,31,32,33,34,35,38)/t18-,19-
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n/an/a 9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells


Bioorg Med Chem Lett 18: 3701-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.072
BindingDB Entry DOI: 10.7270/Q26Q1X25
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50244198
PNG
(4-(((4-cyclohexylphenyl)(1-methyl-1H-benzo[d]imida...)
Show SMILES Cn1c(nc2ccccc12)N(Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C29H30N8O/c1-36-26-10-6-5-9-25(26)30-29(36)37(24-17-15-22(16-18-24)21-7-3-2-4-8-21)19-20-11-13-23(14-12-20)27(38)31-28-32-34-35-33-28/h5-6,9-18,21H,2-4,7-8,19H2,1H3,(H2,31,32,33,34,35,38)
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n/an/a 9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells


Bioorg Med Chem Lett 18: 3701-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.072
BindingDB Entry DOI: 10.7270/Q26Q1X25
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50358803
PNG
(CHEMBL1922930)
Show SMILES CCC[C@@H](Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)c1cc2cc(Cl)ccc2n1-c1cccc(n1)C(F)(F)F |r|
Show InChI InChI=1S/C30H27ClF3N3O4/c1-2-4-20(15-18-7-9-19(10-8-18)29(41)35-14-13-27(38)39)28(40)24-17-21-16-22(31)11-12-23(21)37(24)26-6-3-5-25(36-26)30(32,33)34/h3,5-12,16-17,20H,2,4,13-15H2,1H3,(H,35,41)(H,38,39)/t20-/m0/s1
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n/an/a 9.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon from human glucagon receptor expressed in CHO cells after 4 to 12 hrs by scintillation proximity assay


Bioorg Med Chem Lett 21: 7124-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.105
BindingDB Entry DOI: 10.7270/Q2HT2PRF
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50358372
PNG
(CHEMBL1922838)
Show SMILES CC(C)Oc1cc(Cl)cc2n(Cc3ccc(cc3)C(=O)Nc3nnn[nH]3)c(=Nc3ccc(OC(F)(F)F)cc3)n(C)c12 |w:27.29|
Show InChI InChI=1S/C27H24ClF3N8O3/c1-15(2)41-22-13-18(28)12-21-23(22)38(3)26(32-19-8-10-20(11-9-19)42-27(29,30)31)39(21)14-16-4-6-17(7-5-16)24(40)33-25-34-36-37-35-25/h4-13,15H,14H2,1-3H3,(H2,33,34,35,36,37,40)
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n/an/a 9.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells after 4 to 12 hrs by scintillation counting


Bioorg Med Chem Lett 21: 7131-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.085
BindingDB Entry DOI: 10.7270/Q2C829QP
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50358804
PNG
(CHEMBL1922933)
Show SMILES CCCCC[C@@H](Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)c1cc2cc(Cl)ccc2n1-c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C33H32ClF3N2O4/c1-2-3-4-6-23(17-21-9-11-22(12-10-21)32(43)38-16-15-30(40)41)31(42)29-19-24-18-26(34)13-14-28(24)39(29)27-8-5-7-25(20-27)33(35,36)37/h5,7-14,18-20,23H,2-4,6,15-17H2,1H3,(H,38,43)(H,40,41)/t23-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon from human glucagon receptor expressed in CHO cells after 4 to 12 hrs by scintillation proximity assay


Bioorg Med Chem Lett 21: 7124-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.105
BindingDB Entry DOI: 10.7270/Q2HT2PRF
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50358808
PNG
(CHEMBL1922936)
Show SMILES CCCCC[C@@H](Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)c1cc2cc(F)ccc2n1-c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C33H32F4N2O4/c1-2-3-4-6-23(17-21-9-11-22(12-10-21)32(43)38-16-15-30(40)41)31(42)29-19-24-18-26(34)13-14-28(24)39(29)27-8-5-7-25(20-27)33(35,36)37/h5,7-14,18-20,23H,2-4,6,15-17H2,1H3,(H,38,43)(H,40,41)/t23-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon from human glucagon receptor expressed in CHO cells after 4 to 12 hrs by scintillation proximity assay


Bioorg Med Chem Lett 21: 7124-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.105
BindingDB Entry DOI: 10.7270/Q2HT2PRF
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50244080
PNG
(CHEMBL509900 | trans-4-((4-tert-butylcyclohexyl)(5...)
Show SMILES Cc1ccc2nc([nH]c2c1)N(Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)[C@H]1CC[C@@H](CC1)C(C)(C)C |r,wU:26.29,wD:29.36,(16.94,-17.66,;17.68,-19.01,;16.88,-20.33,;17.62,-21.67,;19.15,-21.71,;20.15,-22.88,;21.58,-22.29,;21.45,-20.75,;19.95,-20.4,;19.22,-19.05,;22.91,-23.07,;22.9,-24.61,;24.23,-25.38,;25.56,-24.62,;26.89,-25.39,;26.88,-26.93,;25.53,-27.7,;24.21,-26.92,;28.21,-27.71,;28.2,-29.25,;29.55,-26.95,;30.88,-27.73,;31.39,-29.18,;32.93,-29.14,;33.37,-27.67,;32.1,-26.79,;24.23,-22.3,;24.24,-20.77,;25.58,-20.01,;26.91,-20.79,;26.9,-22.33,;25.56,-23.09,;28.25,-20.03,;29.58,-19.25,;29.03,-21.36,;27.49,-18.7,)|
Show InChI InChI=1S/C27H34N8O/c1-17-5-14-22-23(15-17)29-26(28-22)35(21-12-10-20(11-13-21)27(2,3)4)16-18-6-8-19(9-7-18)24(36)30-25-31-33-34-32-25/h5-9,14-15,20-21H,10-13,16H2,1-4H3,(H,28,29)(H2,30,31,32,33,34,36)/t20-,21-
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells


Bioorg Med Chem Lett 18: 3701-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.072
BindingDB Entry DOI: 10.7270/Q26Q1X25
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50244299
PNG
(CHEMBL480501 | trans-4-(((4-tert-butylcyclohexyl)(...)
Show SMILES Cn1c(nc2cc(ccc12)C(F)(F)F)N(Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)[C@H]1CC[C@@H](CC1)C(C)(C)C |r,wU:30.33,wD:33.40,(-5.67,-48.6,;-4.89,-47.26,;-3.47,-46.67,;-3.59,-45.14,;-5.09,-44.78,;-5.82,-43.43,;-7.36,-43.39,;-8.16,-44.71,;-7.42,-46.06,;-5.89,-46.09,;-8.1,-42.04,;-8.88,-40.7,;-6.76,-41.28,;-9.43,-42.81,;-2.14,-47.45,;-2.14,-48.99,;-.81,-49.77,;.52,-49,;1.84,-49.78,;1.84,-51.32,;.49,-52.08,;-.83,-51.3,;3.17,-52.1,;3.16,-53.64,;4.5,-51.33,;5.83,-52.11,;6.35,-53.56,;7.89,-53.52,;8.33,-52.05,;7.06,-51.17,;-.81,-46.69,;-.8,-45.15,;.54,-44.39,;1.87,-45.17,;1.85,-46.71,;.52,-47.47,;3.21,-44.41,;4.53,-43.63,;3.98,-45.75,;2.45,-43.08,)|
Show InChI InChI=1S/C28H33F3N8O/c1-27(2,3)19-9-12-21(13-10-19)39(26-32-22-15-20(28(29,30)31)11-14-23(22)38(26)4)16-17-5-7-18(8-6-17)24(40)33-25-34-36-37-35-25/h5-8,11,14-15,19,21H,9-10,12-13,16H2,1-4H3,(H2,33,34,35,36,37,40)/t19-,21-
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells


Bioorg Med Chem Lett 18: 3701-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.072
BindingDB Entry DOI: 10.7270/Q26Q1X25
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50358359
PNG
(CHEMBL1922707)
Show SMILES CCc1cc(cc2n(Cc3ccc(cc3)C(=O)Nc3nnn[nH]3)c(=Nc3ccc(OC(F)(F)F)cc3)n(C)c12)C(F)(F)F |w:24.26|
Show InChI InChI=1S/C27H22F6N8O2/c1-3-16-12-18(26(28,29)30)13-21-22(16)40(2)25(34-19-8-10-20(11-9-19)43-27(31,32)33)41(21)14-15-4-6-17(7-5-15)23(42)35-24-36-38-39-37-24/h4-13H,3,14H2,1-2H3,(H2,35,36,37,38,39,42)
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells after 4 to 12 hrs by scintillation counting


Bioorg Med Chem Lett 21: 7131-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.085
BindingDB Entry DOI: 10.7270/Q2C829QP
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50358812
PNG
(CHEMBL1922940)
Show SMILES CCCCC[C@@H](Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)c1cc2cc(C)ccc2n1-c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C34H35F3N2O4/c1-3-4-5-7-25(19-23-11-13-24(14-12-23)33(43)38-17-16-31(40)41)32(42)30-20-26-18-22(2)10-15-29(26)39(30)28-9-6-8-27(21-28)34(35,36)37/h6,8-15,18,20-21,25H,3-5,7,16-17,19H2,1-2H3,(H,38,43)(H,40,41)/t25-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon from human glucagon receptor expressed in CHO cells after 4 to 12 hrs by scintillation proximity assay


Bioorg Med Chem Lett 21: 7124-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.105
BindingDB Entry DOI: 10.7270/Q2HT2PRF
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50358365
PNG
(CHEMBL1922713)
Show SMILES COc1cc(Cl)cc2n(Cc3ccc(cc3)C(=O)Nc3nnn[nH]3)c(=Nc3ccc(OC(F)(F)F)cc3)n(C)c12 |w:25.27|
Show InChI InChI=1S/C25H20ClF3N8O3/c1-36-21-19(11-16(26)12-20(21)39-2)37(24(36)30-17-7-9-18(10-8-17)40-25(27,28)29)13-14-3-5-15(6-4-14)22(38)31-23-32-34-35-33-23/h3-12H,13H2,1-2H3,(H2,31,32,33,34,35,38)
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n/an/a 12n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells after 4 to 12 hrs by scintillation counting


Bioorg Med Chem Lett 21: 7131-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.085
BindingDB Entry DOI: 10.7270/Q2C829QP
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50358825
PNG
(CHEMBL1922926)
Show SMILES CCCC(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C31H27Cl2F3N2O4/c1-2-3-20(14-18-4-6-19(7-5-18)30(42)37-13-12-28(39)40)29(41)27-16-21-15-22(32)8-11-26(21)38(27)23-9-10-25(33)24(17-23)31(34,35)36/h4-11,15-17,20H,2-3,12-14H2,1H3,(H,37,42)(H,39,40)
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n/an/a 12n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon from human glucagon receptor expressed in CHO cells after 4 to 12 hrs by scintillation proximity assay


Bioorg Med Chem Lett 21: 7124-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.105
BindingDB Entry DOI: 10.7270/Q2HT2PRF
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50358804
PNG
(CHEMBL1922933)
Show SMILES CCCCC[C@@H](Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)c1cc2cc(Cl)ccc2n1-c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C33H32ClF3N2O4/c1-2-3-4-6-23(17-21-9-11-22(12-10-21)32(43)38-16-15-30(40)41)31(42)29-19-24-18-26(34)13-14-28(24)39(29)27-8-5-7-25(20-27)33(35,36)37/h5,7-14,18-20,23H,2-4,6,15-17H2,1H3,(H,38,43)(H,40,41)/t23-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human glucagon receptor expressed in CHO cells assessed as inhibition of forskolin/glucagon-induced cAMP production preincubat...


Bioorg Med Chem Lett 21: 7124-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.105
BindingDB Entry DOI: 10.7270/Q2HT2PRF
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50358353
PNG
(CHEMBL1922702)
Show SMILES Cn1c2ccc(cc2n(Cc2ccc(cc2)C(=O)Nc2nnn[nH]2)c1=Nc1ccc(OC(F)(F)F)cc1)C(F)(F)F |w:25.29|
Show InChI InChI=1S/C25H18F6N8O2/c1-38-19-11-6-16(24(26,27)28)12-20(19)39(23(38)32-17-7-9-18(10-8-17)41-25(29,30)31)13-14-2-4-15(5-3-14)21(40)33-22-34-36-37-35-22/h2-12H,13H2,1H3,(H2,33,34,35,36,37,40)
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells after 4 to 12 hrs by scintillation counting


Bioorg Med Chem Lett 21: 7131-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.085
BindingDB Entry DOI: 10.7270/Q2C829QP
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50358373
PNG
(CHEMBL1922839)
Show SMILES CCCOc1cc(cc2n(Cc3ccc(cc3)C(=O)Nc3nnn[nH]3)c(=Nc3ccc(cc3)C(C)(C)C)n(C)c12)C(F)(F)F |w:26.28|
Show InChI InChI=1S/C31H33F3N8O2/c1-6-15-44-25-17-22(31(32,33)34)16-24-26(25)41(5)29(35-23-13-11-21(12-14-23)30(2,3)4)42(24)18-19-7-9-20(10-8-19)27(43)36-28-37-39-40-38-28/h7-14,16-17H,6,15,18H2,1-5H3,(H2,36,37,38,39,40,43)
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human GCGR expressed in CHO cells assessed as inhibition of glucagon-induced [125I]cAMP accumulation after 30 mins by scintill...


Bioorg Med Chem Lett 21: 7131-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.085
BindingDB Entry DOI: 10.7270/Q2C829QP
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50244079
PNG
(4-(((3-chloro-4-(4-chlorophenoxy)phenyl)(5-methyl-...)
Show SMILES Cc1ccc2nc([nH]c2c1)N(Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)c1ccc(Oc2ccc(Cl)cc2)c(Cl)c1
Show InChI InChI=1S/C29H22Cl2N8O2/c1-17-2-12-24-25(14-17)33-29(32-24)39(16-18-3-5-19(6-4-18)27(40)34-28-35-37-38-36-28)21-9-13-26(23(31)15-21)41-22-10-7-20(30)8-11-22/h2-15H,16H2,1H3,(H,32,33)(H2,34,35,36,37,38,40)
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells


Bioorg Med Chem Lett 18: 3701-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.072
BindingDB Entry DOI: 10.7270/Q26Q1X25
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50358349
PNG
(CHEMBL1922698)
Show SMILES CCCn1c2cc(Cl)c(Cl)cc2n(Cc2ccc(cc2)C(=O)Nc2nnn[nH]2)c1=Nc1ccc(OC(F)(F)F)cc1 |w:29.33|
Show InChI InChI=1S/C26H21Cl2F3N8O2/c1-2-11-38-21-12-19(27)20(28)13-22(21)39(25(38)32-17-7-9-18(10-8-17)41-26(29,30)31)14-15-3-5-16(6-4-15)23(40)33-24-34-36-37-35-24/h3-10,12-13H,2,11,14H2,1H3,(H2,33,34,35,36,37,40)
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n/an/a 14n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells after 4 to 12 hrs by scintillation counting


Bioorg Med Chem Lett 21: 7131-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.085
BindingDB Entry DOI: 10.7270/Q2C829QP
More data for this
Ligand-Target Pair
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