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Compile Data Set for Download or QSAR

Found 1448 hits with Last Name = 'candelore' and Initial = 'mr'   
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))
BDBM50199491
PNG
(1-(6-((2H-tetrazol-5-yl)carbamoyl)-1,2,3,4-tetrahy...)
Show SMILES CC(C)(C)[C@H]1CC[C@@H](CC1)N(C1CCCc2cc(ccc12)C(=O)Nc1nnn[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |w:11.11,wU:7.10,wD:4.3,(22,-37.36,;22.01,-35.83,;23.55,-35.83,;20.47,-35.82,;22.01,-34.29,;23.35,-33.52,;23.35,-31.97,;22.03,-31.21,;20.68,-31.98,;20.68,-33.51,;22.03,-29.67,;23.36,-28.89,;23.35,-27.35,;24.7,-26.58,;26.04,-27.35,;26.03,-28.9,;27.35,-29.65,;27.35,-31.2,;26.02,-31.97,;24.69,-31.2,;24.69,-29.67,;28.69,-31.97,;28.69,-33.51,;30.02,-31.2,;31.36,-31.96,;31.53,-33.49,;33.04,-33.81,;33.8,-32.47,;32.77,-31.33,;20.69,-28.9,;20.69,-27.36,;19.36,-29.67,;18.03,-28.9,;16.68,-29.68,;15.35,-28.9,;15.35,-27.36,;14.02,-26.59,;14.02,-25.05,;14,-23.51,;15.56,-25.04,;12.48,-25.06,;16.68,-26.59,;18.02,-27.35,)|
Show InChI InChI=1S/C30H36F3N7O3/c1-29(2,3)20-8-12-22(13-9-20)40(28(42)34-21-10-14-23(15-11-21)43-30(31,32)33)25-6-4-5-18-17-19(7-16-24(18)25)26(41)35-27-36-38-39-37-27/h7,10-11,14-17,20,22,25H,4-6,8-9,12-13H2,1-3H3,(H,34,42)(H2,35,36,37,38,39,41)/t20-,22-,25?
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Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 587-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.014
BindingDB Entry DOI: 10.7270/Q2N58M0Q
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50199497
PNG
(1-(7-((2H-tetrazol-5-yl)carbamoyl)-3,4-dihydro-2H-...)
Show SMILES CC(C)(C)[C@H]1CC[C@@H](CC1)N(C1CCOc2cc(ccc12)C(=O)Nc1nnn[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |w:11.11,wU:7.10,wD:4.3,(22.57,-53.2,;22.58,-51.66,;24.12,-51.67,;21.04,-51.66,;22.58,-50.12,;23.92,-49.35,;23.92,-47.81,;22.6,-47.05,;21.25,-47.81,;21.25,-49.35,;22.6,-45.51,;23.93,-44.73,;23.93,-43.18,;25.27,-42.41,;26.61,-43.19,;26.6,-44.74,;27.92,-45.49,;27.93,-47.04,;26.59,-47.81,;25.26,-47.04,;25.27,-45.5,;29.26,-47.8,;29.27,-49.34,;30.6,-47.03,;31.93,-47.8,;32.1,-49.33,;33.61,-49.64,;34.38,-48.31,;33.34,-47.17,;21.27,-44.74,;21.26,-43.2,;19.93,-45.51,;18.6,-44.74,;17.26,-45.51,;15.92,-44.74,;15.93,-43.2,;14.59,-42.43,;14.59,-40.89,;14.58,-39.35,;16.13,-40.88,;13.05,-40.9,;17.25,-42.43,;18.59,-43.19,)|
Show InChI InChI=1S/C29H34F3N7O4/c1-28(2,3)18-5-9-20(10-6-18)39(27(41)33-19-7-11-21(12-8-19)43-29(30,31)32)23-14-15-42-24-16-17(4-13-22(23)24)25(40)34-26-35-37-38-36-26/h4,7-8,11-13,16,18,20,23H,5-6,9-10,14-15H2,1-3H3,(H,33,41)(H2,34,35,36,37,38,40)/t18-,20-,23?
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Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 587-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.014
BindingDB Entry DOI: 10.7270/Q2N58M0Q
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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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))
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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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))
BDBM50199487
PNG
(1-(5-((2H-tetrazol-5-yl)carbamoyl)-2,3-dihydro-1H-...)
Show SMILES CC(C)(C)[C@@H]1CC[C@@H](CC1)N(C1CCc2cc(ccc12)C(=O)Nc1nnn[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |w:11.11,wD:4.3,7.10,(23.95,-19.68,;23.96,-18.14,;25.5,-18.15,;22.42,-18.14,;23.96,-16.6,;22.63,-15.83,;22.63,-14.29,;23.98,-13.53,;25.3,-14.29,;25.3,-15.83,;23.98,-11.99,;25.31,-11.22,;25.63,-9.72,;27.49,-9.75,;27.97,-11.21,;29.3,-11.97,;29.31,-13.52,;27.97,-14.29,;26.64,-13.52,;26.65,-11.98,;30.64,-14.28,;30.64,-15.82,;31.97,-13.51,;33.31,-14.28,;33.47,-15.81,;34.98,-16.12,;35.75,-14.79,;34.71,-13.65,;22.64,-11.22,;22.64,-9.68,;21.31,-11.99,;19.98,-11.22,;18.63,-11.99,;17.3,-11.22,;17.3,-9.68,;15.97,-8.91,;15.97,-7.37,;15.96,-5.83,;17.51,-7.36,;14.43,-7.38,;18.63,-8.91,;19.97,-9.67,)|
Show InChI InChI=1S/C29H34F3N7O3/c1-28(2,3)19-6-10-21(11-7-19)39(27(41)33-20-8-12-22(13-9-20)42-29(30,31)32)24-15-5-17-16-18(4-14-23(17)24)25(40)34-26-35-37-38-36-26/h4,8-9,12-14,16,19,21,24H,5-7,10-11,15H2,1-3H3,(H,33,41)(H2,34,35,36,37,38,40)/t19-,21+,24?
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Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 587-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.014
BindingDB Entry DOI: 10.7270/Q2N58M0Q
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50199486
PNG
(3-(1-(N-((1r,4r)-4-tert-butylcyclohexyl)-2-(4-(tri...)
Show SMILES CC(C)(C)[C@H]1CC[C@@H](CC1)N(C1CCc2cc(ccc12)C(=O)NCCC(O)=O)C(=O)Cc1ccc(OC(F)(F)F)cc1 |w:11.11,wU:7.10,wD:4.3,(-1.44,-41.26,;-1.43,-39.72,;.11,-39.73,;-2.97,-39.72,;-1.42,-38.18,;-.09,-37.41,;-.08,-35.87,;-1.4,-35.1,;-2.75,-35.87,;-2.75,-37.4,;-1.41,-33.56,;-.07,-32.8,;.25,-31.29,;2.11,-31.33,;2.58,-32.79,;3.92,-33.55,;3.92,-35.09,;2.59,-35.87,;1.25,-35.1,;1.26,-33.56,;5.26,-35.86,;5.26,-37.4,;6.59,-35.09,;7.92,-35.86,;9.26,-35.08,;10.59,-35.85,;11.92,-35.08,;10.6,-37.39,;-2.74,-32.79,;-2.74,-31.25,;-4.07,-33.57,;-5.41,-32.8,;-6.75,-33.57,;-8.08,-32.8,;-8.08,-31.25,;-9.41,-30.48,;-9.41,-28.94,;-9.43,-27.4,;-7.87,-28.94,;-10.95,-28.95,;-6.75,-30.48,;-5.41,-31.25,)|
Show InChI InChI=1S/C32H39F3N2O5/c1-31(2,3)23-8-10-24(11-9-23)37(28(38)18-20-4-12-25(13-5-20)42-32(33,34)35)27-15-7-21-19-22(6-14-26(21)27)30(41)36-17-16-29(39)40/h4-6,12-14,19,23-24,27H,7-11,15-18H2,1-3H3,(H,36,41)(H,39,40)/t23-,24-,27?
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n/an/a 1.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 587-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.014
BindingDB Entry DOI: 10.7270/Q2N58M0Q
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50393776
PNG
(CHEMBL2159349)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)cc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C33H27ClF3N3O4/c1-19(20-3-5-21(6-4-20)32(43)38-12-11-31(41)42)40-30(24-8-7-23-16-28(44-2)10-9-22(23)13-24)18-29(39-40)25-14-26(33(35,36)37)17-27(34)15-25/h3-10,13-19H,11-12H2,1-2H3,(H,38,43)(H,41,42)/t19-/m0/s1
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n/an/a 1.90n/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 3 hrs by scintillation proximity assay


J Med Chem 55: 6137-48 (2012)


Article DOI: 10.1021/jm300579z
BindingDB Entry DOI: 10.7270/Q2X63P2C
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))
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 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))
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))
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))
BDBM50199492
PNG
(1-(5-((2H-tetrazol-5-yl)carbamoyl)-2,3-dihydro-1H-...)
Show SMILES CC(C)(C)[C@H]1CC[C@@H](CC1)N(C1CCc2cc(ccc12)C(=O)Nc1nnn[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |w:11.11,wU:7.10,wD:4.3,(22.92,-7.75,;22.93,-6.22,;24.47,-6.22,;21.39,-6.21,;22.93,-4.68,;24.27,-3.91,;24.28,-2.36,;22.95,-1.6,;21.61,-2.37,;21.6,-3.9,;22.95,-.06,;24.29,.71,;24.6,2.21,;26.46,2.18,;26.94,.72,;28.27,-.04,;28.28,-1.59,;26.94,-2.36,;25.61,-1.59,;25.62,-.06,;29.61,-2.36,;29.62,-3.9,;30.95,-1.59,;32.28,-2.35,;32.45,-3.88,;33.95,-4.2,;34.72,-2.86,;33.69,-1.72,;21.62,.71,;21.62,2.25,;20.28,-.06,;18.95,.71,;17.61,-.07,;16.28,.71,;16.28,2.25,;14.94,3.02,;14.94,4.56,;14.93,6.1,;16.48,4.57,;13.4,4.55,;17.6,3.02,;18.94,2.26,)|
Show InChI InChI=1S/C29H34F3N7O3/c1-28(2,3)19-6-10-21(11-7-19)39(27(41)33-20-8-12-22(13-9-20)42-29(30,31)32)24-15-5-17-16-18(4-14-23(17)24)25(40)34-26-35-37-38-36-26/h4,8-9,12-14,16,19,21,24H,5-7,10-11,15H2,1-3H3,(H,33,41)(H2,34,35,36,37,38,40)/t19-,21-,24?
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n/an/a 2.31n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 587-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.014
BindingDB Entry DOI: 10.7270/Q2N58M0Q
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50393781
PNG
(CHEMBL2159337)
Show SMILES C[C@@H](c1ccc(cc1)C(=O)NCCC(O)=O)n1nc(cc1-c1ccc2cc(OC(F)(F)F)ccc2c1)-c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C32H24Cl2F3N3O4/c1-18(19-2-4-20(5-3-19)31(43)38-11-10-30(41)42)40-29(17-28(39-40)24-13-25(33)16-26(34)14-24)23-7-6-22-15-27(44-32(35,36)37)9-8-21(22)12-23/h2-9,12-18H,10-11H2,1H3,(H,38,43)(H,41,42)/t18-/m0/s1
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n/an/a 2.5n/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 3 hrs by scintillation proximity assay


J Med Chem 55: 6137-48 (2012)


Article DOI: 10.1021/jm300579z
BindingDB Entry DOI: 10.7270/Q2X63P2C
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50171818
PNG
(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)
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n/an/a 3.20n/an/an/an/an/an/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))
BDBM50334486
PNG
(CHEMBL1643951 | trans-4-((1-(4-tert-butylcyclohexy...)
Show SMILES CC(C)(C)[C@H]1CC[C@@H](CC1)N(Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |r,wU:7.10,wD:4.3,(26.38,-4.09,;27.72,-3.32,;29.05,-4.09,;27.7,-4.85,;27.72,-1.78,;29.05,-1.01,;29.05,.54,;27.72,1.29,;26.38,.53,;26.38,-1.01,;27.71,2.83,;26.38,3.6,;25.05,2.82,;25.05,1.27,;23.71,.5,;22.38,1.27,;22.38,2.82,;23.71,3.59,;21.05,.5,;21.04,-1.04,;19.71,1.27,;18.38,.5,;16.98,1.14,;15.95,-.01,;16.72,-1.34,;18.23,-1.02,;29.04,3.61,;29.04,5.15,;30.38,2.84,;31.71,3.62,;33.04,2.85,;34.37,3.62,;34.37,5.16,;35.7,5.94,;37.03,5.18,;38.36,5.96,;37.04,3.64,;38.36,4.41,;33.02,5.93,;31.7,5.15,)|
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)/t19-,21-
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n/an/a 3.20n/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


Bioorg Med Chem Lett 21: 76-81 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.074
BindingDB Entry DOI: 10.7270/Q2R211PW
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50199488
PNG
(3-(1-(1-((1r,4r)-4-tert-butylcyclohexyl)-3-(4-(tri...)
Show SMILES CC(C)(C)[C@H]1CC[C@@H](CC1)N(C1CCCc2cc(ccc12)C(=O)NCCC(O)=O)C(=O)Nc1ccc(OC(F)(F)F)cc1 |w:11.11,wU:7.10,wD:4.3,(-1.2,-37.43,;-1.19,-35.89,;.35,-35.9,;-2.73,-35.89,;-1.18,-34.35,;.15,-33.59,;.16,-32.04,;-1.17,-31.28,;-2.51,-32.04,;-2.51,-33.58,;-1.17,-29.74,;.16,-28.96,;.16,-27.42,;1.5,-26.65,;2.84,-27.42,;2.83,-28.97,;4.15,-29.72,;4.16,-31.27,;2.83,-32.04,;1.49,-31.27,;1.5,-29.74,;5.5,-32.04,;5.5,-33.58,;6.83,-31.26,;8.16,-32.03,;9.5,-31.26,;10.83,-32.02,;12.16,-31.25,;10.83,-33.56,;-2.5,-28.97,;-2.5,-27.43,;-3.83,-29.74,;-5.17,-28.97,;-6.51,-29.74,;-7.84,-28.97,;-7.84,-27.43,;-9.17,-26.66,;-9.18,-25.12,;-9.19,-23.58,;-7.64,-25.11,;-10.71,-25.13,;-6.51,-26.66,;-5.17,-27.42,)|
Show InChI InChI=1S/C32H40F3N3O5/c1-31(2,3)22-8-12-24(13-9-22)38(30(42)37-23-10-14-25(15-11-23)43-32(33,34)35)27-6-4-5-20-19-21(7-16-26(20)27)29(41)36-18-17-28(39)40/h7,10-11,14-16,19,22,24,27H,4-6,8-9,12-13,17-18H2,1-3H3,(H,36,41)(H,37,42)(H,39,40)/t22-,24-,27?
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n/an/a 3.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 587-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.014
BindingDB Entry DOI: 10.7270/Q2N58M0Q
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50199494
PNG
(3-(1-(1-(cis-4-tert-butylcyclohexyl)-3-(4-(trifluo...)
Show SMILES CC(C)(C)[C@@H]1CC[C@@H](CC1)N(C1CCc2cc(ccc12)C(=O)NCCC(O)=O)C(=O)Nc1ccc(OC(F)(F)F)cc1 |w:11.11,wD:4.3,7.10,(-1.63,-20.96,;-1.62,-19.43,;-.08,-19.43,;-3.16,-19.42,;-1.61,-17.89,;-2.94,-17.11,;-2.94,-15.58,;-1.59,-14.81,;-.27,-15.57,;-.28,-17.12,;-1.59,-13.27,;-.26,-12.5,;.06,-11,;1.92,-11.03,;2.39,-12.49,;3.73,-13.25,;3.73,-14.8,;2.4,-15.57,;1.07,-14.8,;1.07,-13.27,;5.07,-15.57,;5.07,-17.11,;6.4,-14.8,;7.74,-15.56,;9.07,-14.79,;10.4,-15.56,;11.74,-14.78,;10.41,-17.1,;-2.93,-12.5,;-2.93,-10.96,;-4.26,-13.27,;-5.6,-12.5,;-6.94,-13.28,;-8.27,-12.5,;-8.27,-10.96,;-9.6,-10.19,;-9.6,-8.65,;-9.62,-7.11,;-8.06,-8.64,;-11.14,-8.66,;-6.94,-10.19,;-5.6,-10.95,)|
Show InChI InChI=1S/C31H38F3N3O5/c1-30(2,3)21-6-10-23(11-7-21)37(29(41)36-22-8-12-24(13-9-22)42-31(32,33)34)26-15-5-19-18-20(4-14-25(19)26)28(40)35-17-16-27(38)39/h4,8-9,12-14,18,21,23,26H,5-7,10-11,15-17H2,1-3H3,(H,35,40)(H,36,41)(H,38,39)/t21-,23+,26?
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n/an/a 3.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 587-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.014
BindingDB Entry DOI: 10.7270/Q2N58M0Q
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))
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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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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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
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))
BDBM50393780
PNG
(CHEMBL2159353)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(ccc1F)C(F)(F)F |r|
Show InChI InChI=1S/C33H27F4N3O4/c1-19(20-3-5-21(6-4-20)32(43)38-14-13-31(41)42)40-30(24-8-7-23-16-26(44-2)11-9-22(23)15-24)18-29(39-40)27-17-25(33(35,36)37)10-12-28(27)34/h3-12,15-19H,13-14H2,1-2H3,(H,38,43)(H,41,42)/t19-/m0/s1
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n/an/a 4.10n/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 3 hrs by scintillation proximity assay


J Med Chem 55: 6137-48 (2012)


Article DOI: 10.1021/jm300579z
BindingDB Entry DOI: 10.7270/Q2X63P2C
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50199498
PNG
(3-(1-(1-((1r,4r)-4-tert-butylcyclohexyl)-3-(4-(tri...)
Show SMILES CC(C)(C)[C@H]1CC[C@@H](CC1)N(C1CCc2cc(ccc12)C(=O)NCCC(O)=O)C(=O)Nc1ccc(OC(F)(F)F)cc1 |w:11.11,wU:7.10,wD:4.3,(-2.01,-7.56,;-2,-6.03,;-.46,-6.04,;-3.54,-6.03,;-2,-4.49,;-.66,-3.72,;-.65,-2.17,;-1.98,-1.41,;-3.33,-2.18,;-3.33,-3.71,;-1.98,.13,;-.64,.9,;-.33,2.4,;1.53,2.36,;2.01,.91,;3.34,.15,;3.35,-1.4,;2.01,-2.17,;.68,-1.41,;.69,.13,;4.68,-2.17,;4.69,-3.71,;6.02,-1.4,;7.35,-2.16,;8.68,-1.39,;10.02,-2.16,;11.35,-1.39,;10.02,-3.7,;-3.31,.9,;-3.32,2.44,;-4.65,.13,;-5.98,.89,;-7.32,.12,;-8.65,.89,;-8.65,2.44,;-9.99,3.21,;-9.99,4.75,;-10,6.29,;-8.45,4.75,;-11.53,4.74,;-7.33,3.21,;-5.99,2.45,)|
Show InChI InChI=1S/C31H38F3N3O5/c1-30(2,3)21-6-10-23(11-7-21)37(29(41)36-22-8-12-24(13-9-22)42-31(32,33)34)26-15-5-19-18-20(4-14-25(19)26)28(40)35-17-16-27(38)39/h4,8-9,12-14,18,21,23,26H,5-7,10-11,15-17H2,1-3H3,(H,35,40)(H,36,41)(H,38,39)/t21-,23-,26?
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n/an/a 4.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 587-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.014
BindingDB Entry DOI: 10.7270/Q2N58M0Q
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50393786
PNG
(CHEMBL2159342)
Show SMILES CC(C)c1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C34H31Cl2N3O3/c1-20(2)24-8-9-26-15-27(11-10-25(26)14-24)32-19-31(28-16-29(35)18-30(36)17-28)38-39(32)21(3)22-4-6-23(7-5-22)34(42)37-13-12-33(40)41/h4-11,14-21H,12-13H2,1-3H3,(H,37,42)(H,40,41)/t21-/m0/s1
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n/an/a 4.30n/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 3 hrs by scintillation proximity assay


J Med Chem 55: 6137-48 (2012)


Article DOI: 10.1021/jm300579z
BindingDB Entry DOI: 10.7270/Q2X63P2C
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50393785
PNG
(CHEMBL2159341)
Show SMILES C[C@@H](c1ccc(cc1)C(=O)NCCC(O)=O)n1nc(cc1-c1ccc2cc(C)ccc2c1)-c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C32H27Cl2N3O3/c1-19-3-4-24-14-25(10-9-23(24)13-19)30-18-29(26-15-27(33)17-28(34)16-26)36-37(30)20(2)21-5-7-22(8-6-21)32(40)35-12-11-31(38)39/h3-10,13-18,20H,11-12H2,1-2H3,(H,35,40)(H,38,39)/t20-/m0/s1
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n/an/a 4.60n/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 3 hrs by scintillation proximity assay


J Med Chem 55: 6137-48 (2012)


Article DOI: 10.1021/jm300579z
BindingDB Entry DOI: 10.7270/Q2X63P2C
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50199489
PNG
(3-(4-(1-((1r,4r)-4-tert-butylcyclohexyl)-3-(4-(tri...)
Show SMILES CC(C)(C)[C@H]1CC[C@@H](CC1)N(C1CCOc2cc(ccc12)C(=O)NCCC(O)=O)C(=O)Nc1ccc(OC(F)(F)F)cc1 |w:11.11,wU:7.10,wD:4.3,(.09,-52.81,;.1,-51.28,;1.64,-51.28,;-1.44,-51.28,;.1,-49.74,;1.44,-48.97,;1.44,-47.42,;.12,-46.66,;-1.23,-47.43,;-1.23,-48.96,;.12,-45.12,;1.45,-44.34,;1.44,-42.8,;2.79,-42.03,;4.13,-42.81,;4.12,-44.35,;5.44,-45.1,;5.44,-46.65,;4.11,-47.42,;2.78,-46.66,;2.78,-45.12,;6.78,-47.42,;6.78,-48.96,;8.11,-46.65,;9.45,-47.41,;10.78,-46.64,;12.11,-47.41,;13.45,-46.63,;12.12,-48.95,;-1.22,-44.35,;-1.22,-42.81,;-2.55,-45.12,;-3.89,-44.35,;-5.23,-45.13,;-6.56,-44.36,;-6.56,-42.81,;-7.89,-42.04,;-7.89,-40.5,;-7.91,-38.96,;-6.35,-40.5,;-9.43,-40.51,;-5.23,-42.04,;-3.89,-42.8,)|
Show InChI InChI=1S/C31H38F3N3O6/c1-30(2,3)20-5-9-22(10-6-20)37(29(41)36-21-7-11-23(12-8-21)43-31(32,33)34)25-15-17-42-26-18-19(4-13-24(25)26)28(40)35-16-14-27(38)39/h4,7-8,11-13,18,20,22,25H,5-6,9-10,14-17H2,1-3H3,(H,35,40)(H,36,41)(H,38,39)/t20-,22-,25?
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n/an/a 4.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 587-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.014
BindingDB Entry DOI: 10.7270/Q2N58M0Q
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50199493
PNG
(1-(N-((1r,4r)-4-tert-butylcyclohexyl)-2-(4-(triflu...)
Show SMILES CC(C)(C)[C@H]1CC[C@@H](CC1)N(C1CCc2cc(ccc12)C(=O)Nc1nnn[nH]1)C(=O)Cc1ccc(OC(F)(F)F)cc1 |w:11.11,wU:7.10,wD:4.3,(23.62,-41.57,;23.63,-40.04,;25.17,-40.04,;22.09,-40.03,;23.64,-38.5,;24.97,-37.73,;24.98,-36.18,;23.65,-35.42,;22.31,-36.19,;22.3,-37.72,;23.65,-33.88,;24.99,-33.11,;25.31,-31.61,;27.17,-31.64,;27.64,-33.1,;28.97,-33.86,;28.98,-35.41,;27.65,-36.18,;26.31,-35.41,;26.32,-33.88,;30.32,-36.18,;30.32,-37.72,;31.65,-35.41,;32.98,-36.17,;33.15,-37.7,;34.65,-38.02,;35.42,-36.68,;34.39,-35.54,;22.32,-33.11,;22.32,-31.57,;20.99,-33.88,;19.65,-33.11,;18.31,-33.89,;16.98,-33.11,;16.98,-31.57,;15.65,-30.8,;15.64,-29.26,;15.63,-27.72,;17.18,-29.25,;14.1,-29.27,;18.3,-30.8,;19.64,-31.56,)|
Show InChI InChI=1S/C30H35F3N6O3/c1-29(2,3)21-8-10-22(11-9-21)39(26(40)16-18-4-12-23(13-5-18)42-30(31,32)33)25-15-7-19-17-20(6-14-24(19)25)27(41)34-28-35-37-38-36-28/h4-6,12-14,17,21-22,25H,7-11,15-16H2,1-3H3,(H2,34,35,36,37,38,41)/t21-,22-,25?
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Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 587-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.014
BindingDB Entry DOI: 10.7270/Q2N58M0Q
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50199495
PNG
(1-(5-((2H-tetrazol-5-yl)carbamoyl)-2,3-dihydro-1H-...)
Show SMILES CC(C)(C)[C@H]1CC[C@@H](CC1)N(C1CCc2cc(ccc12)C(=O)Nc1nnn[nH]1)C(=O)Nc1cc(Cl)cc(Cl)c1 |w:11.11,wU:7.10,wD:4.3,(23.03,-6.29,;23.04,-4.75,;24.58,-4.76,;21.5,-4.75,;23.05,-3.21,;24.38,-2.44,;24.39,-.9,;23.06,-.14,;21.72,-.9,;21.71,-2.44,;23.06,1.4,;24.4,2.17,;24.72,3.67,;26.58,3.64,;27.05,2.18,;28.38,1.42,;28.39,-.13,;27.06,-.9,;25.72,-.13,;25.73,1.41,;29.73,-.9,;29.73,-2.44,;31.06,-.12,;32.39,-.89,;32.56,-2.42,;34.06,-2.74,;34.83,-1.4,;33.8,-.26,;21.73,2.17,;21.73,3.71,;20.4,1.4,;19.06,2.17,;19.05,3.72,;17.71,4.48,;17.71,6.02,;16.39,3.71,;16.39,2.17,;15.05,1.4,;17.72,1.4,)|
Show InChI InChI=1S/C28H33Cl2N7O2/c1-28(2,3)18-6-8-22(9-7-18)37(27(39)31-21-14-19(29)13-20(30)15-21)24-11-5-16-12-17(4-10-23(16)24)25(38)32-26-33-35-36-34-26/h4,10,12-15,18,22,24H,5-9,11H2,1-3H3,(H,31,39)(H2,32,33,34,35,36,38)/t18-,22-,24?
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n/an/a 4.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 587-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.014
BindingDB Entry DOI: 10.7270/Q2N58M0Q
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50393775
PNG
(CHEMBL2159348)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C32H27Cl2N3O4/c1-19(20-3-5-21(6-4-20)32(40)35-14-13-31(38)39)37-30(18-29(36-37)24-10-12-27(33)28(34)17-24)25-8-7-23-16-26(41-2)11-9-22(23)15-25/h3-12,15-19H,13-14H2,1-2H3,(H,35,40)(H,38,39)/t19-/m0/s1
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n/an/a 5.20n/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 3 hrs by scintillation proximity assay


J Med Chem 55: 6137-48 (2012)


Article DOI: 10.1021/jm300579z
BindingDB Entry DOI: 10.7270/Q2X63P2C
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50393776
PNG
(CHEMBL2159349)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)cc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C33H27ClF3N3O4/c1-19(20-3-5-21(6-4-20)32(43)38-12-11-31(41)42)40-30(24-8-7-23-16-28(44-2)10-9-22(23)13-24)18-29(39-40)25-14-26(33(35,36)37)17-27(34)15-25/h3-10,13-19H,11-12H2,1-2H3,(H,38,43)(H,41,42)/t19-/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
Antagonist activity at human GCGR expressed in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 mins prior ...


J Med Chem 55: 6137-48 (2012)


Article DOI: 10.1021/jm300579z
BindingDB Entry DOI: 10.7270/Q2X63P2C
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50199495
PNG
(1-(5-((2H-tetrazol-5-yl)carbamoyl)-2,3-dihydro-1H-...)
Show SMILES CC(C)(C)[C@H]1CC[C@@H](CC1)N(C1CCc2cc(ccc12)C(=O)Nc1nnn[nH]1)C(=O)Nc1cc(Cl)cc(Cl)c1 |w:11.11,wU:7.10,wD:4.3,(23.03,-6.29,;23.04,-4.75,;24.58,-4.76,;21.5,-4.75,;23.05,-3.21,;24.38,-2.44,;24.39,-.9,;23.06,-.14,;21.72,-.9,;21.71,-2.44,;23.06,1.4,;24.4,2.17,;24.72,3.67,;26.58,3.64,;27.05,2.18,;28.38,1.42,;28.39,-.13,;27.06,-.9,;25.72,-.13,;25.73,1.41,;29.73,-.9,;29.73,-2.44,;31.06,-.12,;32.39,-.89,;32.56,-2.42,;34.06,-2.74,;34.83,-1.4,;33.8,-.26,;21.73,2.17,;21.73,3.71,;20.4,1.4,;19.06,2.17,;19.05,3.72,;17.71,4.48,;17.71,6.02,;16.39,3.71,;16.39,2.17,;15.05,1.4,;17.72,1.4,)|
Show InChI InChI=1S/C28H33Cl2N7O2/c1-28(2,3)18-6-8-22(9-7-18)37(27(39)31-21-14-19(29)13-20(30)15-21)24-11-5-16-12-17(4-10-23(16)24)25(38)32-26-33-35-36-34-26/h4,10,12-15,18,22,24H,5-9,11H2,1-3H3,(H,31,39)(H2,32,33,34,35,36,38)/t18-,22-,24?
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n/an/a 5.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human glucagon receptor transfected in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation


Bioorg Med Chem Lett 17: 587-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.014
BindingDB Entry DOI: 10.7270/Q2N58M0Q
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))
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
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50019355
PNG
(1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...)
Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(OC)c1OC
Show InChI InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3
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n/an/a 6.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against CHO cells expressing the cloned human beta2 adrenergic receptor (AR) in the presence of [1...


Bioorg Med Chem Lett 10: 2283-6 (2001)


BindingDB Entry DOI: 10.7270/Q2F47NCG
More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50019355
PNG
(1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...)
Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(OC)c1OC
Show InChI InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3
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n/an/a 6.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against human beta1 adrenergic receptor (AR)


Bioorg Med Chem Lett 10: 2283-6 (2001)


BindingDB Entry DOI: 10.7270/Q2F47NCG
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50360601
PNG
(CHEMBL1933349)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C32H27Cl2N3O4/c1-19(20-3-5-21(6-4-20)32(40)35-12-11-31(38)39)37-30(18-29(36-37)25-14-26(33)17-27(34)15-25)24-8-7-23-16-28(41-2)10-9-22(23)13-24/h3-10,13-19H,11-12H2,1-2H3,(H,35,40)(H,38,39)/t19-/m0/s1
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n/an/a 6.60n/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 3 hrs by scintillation proximity assay


J Med Chem 55: 6137-48 (2012)


Article DOI: 10.1021/jm300579z
BindingDB Entry DOI: 10.7270/Q2X63P2C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50070125
PNG
(CHEMBL276659 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C24H26N2O4/c27-21-10-12-23(13-11-21)30-17-22(28)16-25-15-14-18-6-8-20(9-7-18)26-24(29)19-4-2-1-3-5-19/h1-13,22,25,27-28H,14-17H2,(H,26,29)/t22-/m0/s1
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n/an/a 6.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50393778
PNG
(CHEMBL2159351)
Show SMILES CCCOc1cc(Cl)cc(c1)-c1cc(-c2ccc3cc(OC)ccc3c2)n(n1)[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O |r|
Show InChI InChI=1S/C35H34ClN3O5/c1-4-15-44-31-19-28(17-29(36)20-31)32-21-33(27-10-9-26-18-30(43-3)12-11-25(26)16-27)39(38-32)22(2)23-5-7-24(8-6-23)35(42)37-14-13-34(40)41/h5-12,16-22H,4,13-15H2,1-3H3,(H,37,42)(H,40,41)/t22-/m0/s1
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n/an/a 6.90n/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 3 hrs by scintillation proximity assay


J Med Chem 55: 6137-48 (2012)


Article DOI: 10.1021/jm300579z
BindingDB Entry DOI: 10.7270/Q2X63P2C
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))
BDBM50393788
PNG
(CHEMBL2159347)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)ccc1Cl |r|
Show InChI InChI=1S/C32H27Cl2N3O4/c1-19(20-3-5-21(6-4-20)32(40)35-14-13-31(38)39)37-30(18-29(36-37)27-17-25(33)10-12-28(27)34)24-8-7-23-16-26(41-2)11-9-22(23)15-24/h3-12,15-19H,13-14H2,1-2H3,(H,35,40)(H,38,39)/t19-/m0/s1
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n/an/a 7.5n/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 3 hrs by scintillation proximity assay


J Med Chem 55: 6137-48 (2012)


Article DOI: 10.1021/jm300579z
BindingDB Entry DOI: 10.7270/Q2X63P2C
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50393785
PNG
(CHEMBL2159341)
Show SMILES C[C@@H](c1ccc(cc1)C(=O)NCCC(O)=O)n1nc(cc1-c1ccc2cc(C)ccc2c1)-c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C32H27Cl2N3O3/c1-19-3-4-24-14-25(10-9-23(24)13-19)30-18-29(26-15-27(33)17-28(34)16-26)36-37(30)20(2)21-5-7-22(8-6-21)32(40)35-12-11-31(38)39/h3-10,13-18,20H,11-12H2,1-2H3,(H,35,40)(H,38,39)/t20-/m0/s1
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n/an/a 7.5n/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 cAMP accumulation preincubated for 30 mins prior ...


J Med Chem 55: 6137-48 (2012)


Article DOI: 10.1021/jm300579z
BindingDB Entry DOI: 10.7270/Q2X63P2C
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50393784
PNG
(CHEMBL2159340)
Show SMILES C[C@@H](c1ccc(cc1)C(=O)NCCC(O)=O)n1nc(cc1-c1ccc2cc(Cl)ccc2c1)-c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C31H24Cl3N3O3/c1-18(19-2-4-20(5-3-19)31(40)35-11-10-30(38)39)37-29(17-28(36-37)24-14-26(33)16-27(34)15-24)23-7-6-22-13-25(32)9-8-21(22)12-23/h2-9,12-18H,10-11H2,1H3,(H,35,40)(H,38,39)/t18-/m0/s1
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n/an/a 7.5n/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 3 hrs by scintillation proximity assay


J Med Chem 55: 6137-48 (2012)


Article DOI: 10.1021/jm300579z
BindingDB Entry DOI: 10.7270/Q2X63P2C
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50199500
PNG
(1-(5-((2H-tetrazol-5-yl)carbamoyl)-2,3-dihydro-1H-...)
Show SMILES CC(C)(C)[C@H]1CC[C@@H](CC1)N(C1CCc2cc(ccc12)C(=O)Nc1nnn[nH]1)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:11.11,wU:7.10,wD:4.3,(23.02,-20.02,;23.03,-18.49,;24.57,-18.49,;21.49,-18.48,;23.04,-16.95,;24.37,-16.18,;24.38,-14.63,;23.06,-13.87,;21.71,-14.64,;21.71,-16.17,;23.05,-12.33,;24.39,-11.56,;24.71,-10.06,;26.57,-10.09,;27.04,-11.55,;28.38,-12.31,;28.38,-13.86,;27.05,-14.63,;25.71,-13.86,;25.72,-12.33,;29.72,-14.63,;29.72,-16.17,;31.05,-13.85,;32.38,-14.62,;32.55,-16.15,;34.06,-16.47,;34.82,-15.13,;33.79,-13.99,;21.72,-11.56,;21.72,-10.02,;20.39,-12.33,;19.05,-11.56,;19.05,-10.01,;17.71,-9.25,;16.38,-10.02,;16.38,-11.56,;17.71,-12.33,;15.04,-12.33,;13.71,-13.09,;14.28,-11,;15.81,-13.67,;17.7,-7.71,;17.68,-6.16,;19.24,-7.7,;16.16,-7.73,)|
Show InChI InChI=1S/C30H33F6N7O2/c1-28(2,3)18-6-8-22(9-7-18)43(27(45)37-21-14-19(29(31,32)33)13-20(15-21)30(34,35)36)24-11-5-16-12-17(4-10-23(16)24)25(44)38-26-39-41-42-40-26/h4,10,12-15,18,22,24H,5-9,11H2,1-3H3,(H,37,45)(H2,38,39,40,41,42,44)/t18-,22-,24?
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n/an/a 7.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 587-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.014
BindingDB Entry DOI: 10.7270/Q2N58M0Q
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))
BDBM50393787
PNG
(CHEMBL2159343)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C33H29Cl2N3O4/c1-3-42-29-11-10-23-14-25(9-8-24(23)17-29)31-19-30(26-15-27(34)18-28(35)16-26)37-38(31)20(2)21-4-6-22(7-5-21)33(41)36-13-12-32(39)40/h4-11,14-20H,3,12-13H2,1-2H3,(H,36,41)(H,39,40)/t20-/m0/s1
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n/an/a 8.10n/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 3 hrs by scintillation proximity assay


J Med Chem 55: 6137-48 (2012)


Article DOI: 10.1021/jm300579z
BindingDB Entry DOI: 10.7270/Q2X63P2C
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50393770
PNG
(CHEMBL2159331)
Show SMILES OC(=O)CCNC(=O)c1ccc(Cn2nc(cc2-c2ccc3cc(OC(F)(F)F)ccc3c2)-c2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C31H22Cl2F3N3O4/c32-24-12-23(13-25(33)15-24)27-16-28(22-6-5-21-14-26(43-31(34,35)36)8-7-20(21)11-22)39(38-27)17-18-1-3-19(4-2-18)30(42)37-10-9-29(40)41/h1-8,11-16H,9-10,17H2,(H,37,42)(H,40,41)
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n/an/a 8.10n/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 3 hrs by scintillation proximity assay


J Med Chem 55: 6137-48 (2012)


Article DOI: 10.1021/jm300579z
BindingDB Entry DOI: 10.7270/Q2X63P2C
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
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