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Compile Data Set for Download or QSAR

Found 279 hits with Last Name = 'liang' and Initial = 'r'   
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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n/an/a 0.5n/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))
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))
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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n/an/a 1.01n/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))
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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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))
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))
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))
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))
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))
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))
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)
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))
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))
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))
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))
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))
BDBM50393779
PNG
(CHEMBL2159352)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(ccc1C)C(F)(F)F |r|
Show InChI InChI=1S/C34H30F3N3O4/c1-20-4-12-27(34(35,36)37)18-29(20)30-19-31(26-10-9-25-17-28(44-3)13-11-24(25)16-26)40(39-30)21(2)22-5-7-23(8-6-22)33(43)38-15-14-32(41)42/h4-13,16-19,21H,14-15H2,1-3H3,(H,38,43)(H,41,42)/t21-/m0/s1
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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 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))
BDBM50199496
PNG
(3-(1-(1-((1r,4r)-4-tert-butylcyclohexyl)-3-(3,5-di...)
Show SMILES CC(C)(C)[C@H]1CC[C@@H](CC1)N(C1CCc2cc(ccc12)C(=O)NCCC(O)=O)C(=O)Nc1cc(Cl)cc(Cl)c1 |w:11.11,wU:7.10,wD:4.3,(-2.67,-6.08,;-2.66,-4.55,;-1.12,-4.56,;-4.2,-4.55,;-2.66,-3.01,;-1.32,-2.24,;-1.31,-.69,;-2.64,.07,;-3.98,-.7,;-3.99,-2.23,;-2.64,1.61,;-1.3,2.38,;-.99,3.88,;.88,3.84,;1.35,2.39,;2.68,1.62,;2.69,.08,;1.36,-.69,;.02,.07,;.03,1.61,;4.03,-.69,;4.03,-2.23,;5.36,.08,;6.69,-.68,;8.02,.09,;9.36,-.68,;10.69,.1,;9.36,-2.22,;-3.97,2.38,;-3.97,3.92,;-5.31,1.61,;-6.64,2.37,;-6.65,3.93,;-7.99,4.69,;-7.99,6.23,;-9.31,3.92,;-9.31,2.37,;-10.65,1.61,;-7.98,1.6,)|
Show InChI InChI=1S/C30H37Cl2N3O4/c1-30(2,3)20-6-8-24(9-7-20)35(29(39)34-23-16-21(31)15-22(32)17-23)26-11-5-18-14-19(4-10-25(18)26)28(38)33-13-12-27(36)37/h4,10,14-17,20,24,26H,5-9,11-13H2,1-3H3,(H,33,38)(H,34,39)(H,36,37)/t20-,24-,26?
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n/an/a 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))
BDBM50393783
PNG
(CHEMBL2159339)
Show SMILES C[C@@H](c1ccc(cc1)C(=O)NCCC(O)=O)n1nc(cc1-c1ccc2cc(ccc2c1)C(F)(F)F)-c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C32H24Cl2F3N3O3/c1-18(19-2-4-20(5-3-19)31(43)38-11-10-30(41)42)40-29(17-28(39-40)24-14-26(33)16-27(34)15-24)23-7-6-22-13-25(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 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 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))
BDBM50199496
PNG
(3-(1-(1-((1r,4r)-4-tert-butylcyclohexyl)-3-(3,5-di...)
Show SMILES CC(C)(C)[C@H]1CC[C@@H](CC1)N(C1CCc2cc(ccc12)C(=O)NCCC(O)=O)C(=O)Nc1cc(Cl)cc(Cl)c1 |w:11.11,wU:7.10,wD:4.3,(-2.67,-6.08,;-2.66,-4.55,;-1.12,-4.56,;-4.2,-4.55,;-2.66,-3.01,;-1.32,-2.24,;-1.31,-.69,;-2.64,.07,;-3.98,-.7,;-3.99,-2.23,;-2.64,1.61,;-1.3,2.38,;-.99,3.88,;.88,3.84,;1.35,2.39,;2.68,1.62,;2.69,.08,;1.36,-.69,;.02,.07,;.03,1.61,;4.03,-.69,;4.03,-2.23,;5.36,.08,;6.69,-.68,;8.02,.09,;9.36,-.68,;10.69,.1,;9.36,-2.22,;-3.97,2.38,;-3.97,3.92,;-5.31,1.61,;-6.64,2.37,;-6.65,3.93,;-7.99,4.69,;-7.99,6.23,;-9.31,3.92,;-9.31,2.37,;-10.65,1.61,;-7.98,1.6,)|
Show InChI InChI=1S/C30H37Cl2N3O4/c1-30(2,3)20-6-8-24(9-7-20)35(29(39)34-23-16-21(31)15-22(32)17-23)26-11-5-18-14-19(4-10-25(18)26)28(38)33-13-12-27(36)37/h4,10,14-17,20,24,26H,5-9,11-13H2,1-3H3,(H,33,38)(H,34,39)(H,36,37)/t20-,24-,26?
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n/an/a 11n/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))
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
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))
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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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))
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 12n/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))
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 12n/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 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 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))
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 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 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))
BDBM50393783
PNG
(CHEMBL2159339)
Show SMILES C[C@@H](c1ccc(cc1)C(=O)NCCC(O)=O)n1nc(cc1-c1ccc2cc(ccc2c1)C(F)(F)F)-c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C32H24Cl2F3N3O3/c1-18(19-2-4-20(5-3-19)31(43)38-11-10-30(41)42)40-29(17-28(39-40)24-14-26(33)16-27(34)15-24)23-7-6-22-13-25(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 14n/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))
BDBM50393777
PNG
(CHEMBL2159350)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)cc(OC)c1 |r|
Show InChI InChI=1S/C33H30ClN3O5/c1-20(21-4-6-22(7-5-21)33(40)35-13-12-32(38)39)37-31(19-30(36-37)26-15-27(34)18-29(17-26)42-3)25-9-8-24-16-28(41-2)11-10-23(24)14-25/h4-11,14-20H,12-13H2,1-3H3,(H,35,40)(H,38,39)/t20-/m0/s1
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n/an/a 15n/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))
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 15n/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))
BDBM50393791
PNG
(CHEMBL2159345)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)C(F)(F)F |r|
Show InChI InChI=1S/C27H24F3N3O4/c1-16(17-3-5-18(6-4-17)26(36)31-12-11-25(34)35)33-23(15-24(32-33)27(28,29)30)21-8-7-20-14-22(37-2)10-9-19(20)13-21/h3-10,13-16H,11-12H2,1-2H3,(H,31,36)(H,34,35)/t16-/m0/s1
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n/an/a 15n/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))
BDBM50393774
PNG
(CHEMBL2159335)
Show SMILES CCCOc1ccc(cc1Cl)-c1cc(nn1C(C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C30H28Cl3N3O4/c1-3-12-40-28-9-8-21(15-25(28)33)27-17-26(22-13-23(31)16-24(32)14-22)35-36(27)18(2)19-4-6-20(7-5-19)30(39)34-11-10-29(37)38/h4-9,13-18H,3,10-12H2,1-2H3,(H,34,39)(H,37,38)
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n/an/a 16n/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))
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 16n/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
3D
3D Structure (crystal)
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 16n/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))
BDBM50393768
PNG
(CHEMBL2159329)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc(nn1Cc1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C31H25Cl2N3O4/c1-40-27-9-8-21-12-23(7-6-22(21)15-27)29-17-28(24-13-25(32)16-26(33)14-24)35-36(29)18-19-2-4-20(5-3-19)31(39)34-11-10-30(37)38/h2-9,12-17H,10-11,18H2,1H3,(H,34,39)(H,37,38)
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n/an/a 16n/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))
BDBM50393782
PNG
(CHEMBL2159338)
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-/m1/s1
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n/an/a 17n/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))
BDBM50161488
PNG
(CHEMBL439289 | Des-His1[Glu9]glucagon-NH2)
Show SMILES CN[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O
Show InChI InChI=1S/C155H230N44O48S/c1-74(2)55-100(137(231)180-98(50-54-248-12)135(229)188-107(63-117(160)212)146(240)198-123(78(8)204)126(161)220)183-141(235)106(61-85-66-170-90-30-20-19-29-89(85)90)187-133(227)96(44-48-116(159)211)181-151(245)122(76(5)6)197-144(238)104(57-81-25-15-13-16-26-81)186-142(236)108(64-120(216)217)189-132(226)95(43-47-115(158)210)174-127(221)77(7)173-129(223)92(32-23-52-168-154(162)163)175-130(224)93(33-24-53-169-155(164)165)177-148(242)112(71-202)194-143(237)109(65-121(218)219)190-138(232)101(56-75(3)4)182-139(233)102(59-83-34-38-87(207)39-35-83)184-131(225)91(31-21-22-51-156)176-147(241)111(70-201)193-140(234)103(60-84-36-40-88(208)41-37-84)185-134(228)97(45-49-119(214)215)179-150(244)113(72-203)195-153(247)125(80(10)206)199-145(239)105(58-82-27-17-14-18-28-82)191-152(246)124(79(9)205)196-118(213)68-171-128(222)94(42-46-114(157)209)178-149(243)110(69-200)192-136(230)99(166-11)62-86-67-167-73-172-86/h13-20,25-30,34-41,66-67,73-80,91-113,122-125,166,170,200-208H,21-24,31-33,42-65,68-72,156H2,1-12H3,(H2,157,209)(H2,158,210)(H2,159,211)(H2,160,212)(H2,161,220)(H,167,172)(H,171,222)(H,173,223)(H,174,221)(H,175,224)(H,176,241)(H,177,242)(H,178,243)(H,179,244)(H,180,231)(H,181,245)(H,182,233)(H,183,235)(H,184,225)(H,185,228)(H,186,236)(H,187,227)(H,188,229)(H,189,226)(H,190,232)(H,191,246)(H,192,230)(H,193,234)(H,194,237)(H,195,247)(H,196,213)(H,197,238)(H,198,240)(H,199,239)(H,214,215)(H,216,217)(H,218,219)(H4,162,163,168)(H4,164,165,169)/t77-,78+,79+,80+,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,122-,123-,124-,125-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of glucagon induced cAMP accumulation in human glucagon receptor transfected CHO cells


Bioorg Med Chem Lett 15: 1401-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.003
BindingDB Entry DOI: 10.7270/Q2Z037NV
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50161488
PNG
(CHEMBL439289 | Des-His1[Glu9]glucagon-NH2)
Show SMILES CN[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O
Show InChI InChI=1S/C155H230N44O48S/c1-74(2)55-100(137(231)180-98(50-54-248-12)135(229)188-107(63-117(160)212)146(240)198-123(78(8)204)126(161)220)183-141(235)106(61-85-66-170-90-30-20-19-29-89(85)90)187-133(227)96(44-48-116(159)211)181-151(245)122(76(5)6)197-144(238)104(57-81-25-15-13-16-26-81)186-142(236)108(64-120(216)217)189-132(226)95(43-47-115(158)210)174-127(221)77(7)173-129(223)92(32-23-52-168-154(162)163)175-130(224)93(33-24-53-169-155(164)165)177-148(242)112(71-202)194-143(237)109(65-121(218)219)190-138(232)101(56-75(3)4)182-139(233)102(59-83-34-38-87(207)39-35-83)184-131(225)91(31-21-22-51-156)176-147(241)111(70-201)193-140(234)103(60-84-36-40-88(208)41-37-84)185-134(228)97(45-49-119(214)215)179-150(244)113(72-203)195-153(247)125(80(10)206)199-145(239)105(58-82-27-17-14-18-28-82)191-152(246)124(79(9)205)196-118(213)68-171-128(222)94(42-46-114(157)209)178-149(243)110(69-200)192-136(230)99(166-11)62-86-67-167-73-172-86/h13-20,25-30,34-41,66-67,73-80,91-113,122-125,166,170,200-208H,21-24,31-33,42-65,68-72,156H2,1-12H3,(H2,157,209)(H2,158,210)(H2,159,211)(H2,160,212)(H2,161,220)(H,167,172)(H,171,222)(H,173,223)(H,174,221)(H,175,224)(H,176,241)(H,177,242)(H,178,243)(H,179,244)(H,180,231)(H,181,245)(H,182,233)(H,183,235)(H,184,225)(H,185,228)(H,186,236)(H,187,227)(H,188,229)(H,189,226)(H,190,232)(H,191,246)(H,192,230)(H,193,234)(H,194,237)(H,195,247)(H,196,213)(H,197,238)(H,198,240)(H,199,239)(H,214,215)(H,216,217)(H,218,219)(H4,162,163,168)(H4,164,165,169)/t77-,78+,79+,80+,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,122-,123-,124-,125-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration towards binding of [125I]-glucagon to the human glucagon receptor expressed in CHO cells


Bioorg Med Chem Lett 15: 1401-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.003
BindingDB Entry DOI: 10.7270/Q2Z037NV
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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n/an/a 18n/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
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50323394
PNG
(5-(2,3,5-trifluorophenyl)-1,4,5,6-tetrahydrocyclop...)
Show SMILES OC(=O)c1n[nH]c2CC(Cc12)c1cc(F)cc(F)c1F
Show InChI InChI=1S/C13H9F3N2O2/c14-6-3-7(11(16)9(15)4-6)5-1-8-10(2-5)17-18-12(8)13(19)20/h3-5H,1-2H2,(H,17,18)(H,19,20)
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n/an/a 20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR10a receptor


Bioorg Med Chem Lett 20: 4472-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.041
BindingDB Entry DOI: 10.7270/Q2B858B5
More data for this
Ligand-Target Pair
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