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PubMed code 17126016

Compile data set for download or QSAR
Found 69 hits of Enzyme Inhibition Constant Data   
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))
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))
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))
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))
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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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))
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))
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))
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))
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))
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))
BDBM50199502
PNG
(1-(5-((2H-tetrazol-5-yl)carbamoyl)-2,3-dihydro-1H-...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)N(C2CCc3cc(ccc23)C(=O)Nc2nnn[nH]2)c2ccc(cc2)C2CCCCC2)cc1 |w:13.12|
Show InChI InChI=1S/C31H30F3N7O3/c32-31(33,34)44-25-14-10-23(11-15-25)35-30(43)41(24-12-6-20(7-13-24)19-4-2-1-3-5-19)27-17-9-21-18-22(8-16-26(21)27)28(42)36-29-37-39-40-38-29/h6-8,10-16,18-19,27H,1-5,9,17H2,(H,35,43)(H2,36,37,38,39,40,42)
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n/an/a 22n/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))
BDBM50199490
PNG
(3-(1-(3-(3,5-bis(trifluoromethyl)phenyl)-1-((1r,4r...)
Show SMILES CC(C)(C)[C@H]1CC[C@@H](CC1)N(C1CCc2cc(ccc12)C(=O)NCCC(O)=O)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:11.11,wU:7.10,wD:4.3,(-2.57,-20.33,;-2.56,-18.79,;-1.02,-18.8,;-4.1,-18.79,;-2.55,-17.25,;-1.22,-16.48,;-1.21,-14.94,;-2.53,-14.18,;-3.88,-14.94,;-3.88,-16.48,;-2.54,-12.64,;-1.2,-11.87,;-.88,-10.37,;.98,-10.4,;1.45,-11.86,;2.79,-12.62,;2.79,-14.17,;1.46,-14.94,;.12,-14.17,;.13,-12.63,;4.13,-14.93,;4.13,-16.47,;5.46,-14.16,;6.8,-14.93,;8.13,-14.16,;9.46,-14.92,;10.79,-14.15,;9.47,-16.46,;-3.87,-11.87,;-3.87,-10.33,;-5.2,-12.64,;-6.54,-11.87,;-6.54,-10.32,;-7.88,-9.56,;-9.21,-10.33,;-9.21,-11.87,;-7.88,-12.64,;-10.55,-12.64,;-11.88,-13.4,;-9.78,-13.98,;-11.31,-11.3,;-7.89,-8.02,;-7.91,-6.47,;-6.35,-8.01,;-9.43,-8.03,)|
Show InChI InChI=1S/C32H37F6N3O4/c1-30(2,3)20-6-8-24(9-7-20)41(29(45)40-23-16-21(31(33,34)35)15-22(17-23)32(36,37)38)26-11-5-18-14-19(4-10-25(18)26)28(44)39-13-12-27(42)43/h4,10,14-17,20,24,26H,5-9,11-13H2,1-3H3,(H,39,44)(H,40,45)(H,42,43)/t20-,24-,26?
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n/an/a 28n/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 33n/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))
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 33n/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))
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 46n/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))
BDBM50199490
PNG
(3-(1-(3-(3,5-bis(trifluoromethyl)phenyl)-1-((1r,4r...)
Show SMILES CC(C)(C)[C@H]1CC[C@@H](CC1)N(C1CCc2cc(ccc12)C(=O)NCCC(O)=O)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:11.11,wU:7.10,wD:4.3,(-2.57,-20.33,;-2.56,-18.79,;-1.02,-18.8,;-4.1,-18.79,;-2.55,-17.25,;-1.22,-16.48,;-1.21,-14.94,;-2.53,-14.18,;-3.88,-14.94,;-3.88,-16.48,;-2.54,-12.64,;-1.2,-11.87,;-.88,-10.37,;.98,-10.4,;1.45,-11.86,;2.79,-12.62,;2.79,-14.17,;1.46,-14.94,;.12,-14.17,;.13,-12.63,;4.13,-14.93,;4.13,-16.47,;5.46,-14.16,;6.8,-14.93,;8.13,-14.16,;9.46,-14.92,;10.79,-14.15,;9.47,-16.46,;-3.87,-11.87,;-3.87,-10.33,;-5.2,-12.64,;-6.54,-11.87,;-6.54,-10.32,;-7.88,-9.56,;-9.21,-10.33,;-9.21,-11.87,;-7.88,-12.64,;-10.55,-12.64,;-11.88,-13.4,;-9.78,-13.98,;-11.31,-11.3,;-7.89,-8.02,;-7.91,-6.47,;-6.35,-8.01,;-9.43,-8.03,)|
Show InChI InChI=1S/C32H37F6N3O4/c1-30(2,3)20-6-8-24(9-7-20)41(29(45)40-23-16-21(31(33,34)35)15-22(17-23)32(36,37)38)26-11-5-18-14-19(4-10-25(18)26)28(44)39-13-12-27(42)43/h4,10,14-17,20,24,26H,5-9,11-13H2,1-3H3,(H,39,44)(H,40,45)(H,42,43)/t20-,24-,26?
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n/an/a 46n/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))
BDBM50199503
PNG
(1-(N-((1r,4r)-4-tert-butylcyclohexyl)-4-(trifluoro...)
Show SMILES CC(C)(C)[C@H]1CC[C@@H](CC1)N(C1CCc2cc(ccc12)C(=O)Nc1nnn[nH]1)C(=O)c1ccc(OC(F)(F)F)cc1 |w:11.11,wU:7.10,wD:4.3,(22.77,-54.03,;22.78,-52.49,;24.32,-52.5,;21.24,-52.49,;22.78,-50.95,;24.11,-50.18,;24.11,-48.63,;22.77,-47.88,;21.44,-48.65,;21.44,-50.18,;22.77,-46.34,;24.1,-45.57,;24.25,-44.03,;25.75,-43.7,;26.53,-45.03,;28.02,-45.34,;28.51,-46.79,;27.48,-47.94,;25.98,-47.62,;25.5,-46.17,;30.01,-47.1,;30.5,-48.56,;31.04,-45.95,;32.55,-46.26,;33.19,-47.66,;34.72,-47.49,;35.03,-45.98,;33.69,-45.22,;21.43,-45.58,;21.42,-44.04,;20.1,-46.35,;18.76,-45.59,;17.43,-46.36,;17.43,-47.91,;16.1,-48.68,;16.09,-50.22,;16.08,-51.75,;17.63,-50.22,;14.55,-50.21,;18.76,-48.68,;20.1,-47.91,)|
Show InChI InChI=1S/C29H33F3N6O3/c1-28(2,3)20-8-10-21(11-9-20)38(26(40)17-4-12-22(13-5-17)41-29(30,31)32)24-15-7-18-16-19(6-14-23(18)24)25(39)33-27-34-36-37-35-27/h4-6,12-14,16,20-21,24H,7-11,15H2,1-3H3,(H2,33,34,35,36,37,39)/t20-,21-,24?
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n/an/a 49n/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))
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 61n/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))
BDBM50199504
PNG
(1-(5-((2H-tetrazol-5-yl)carbamoyl)-2,3-dihydro-1H-...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)N(C2CCc3cc(ccc23)C(=O)Nc2nnn[nH]2)c2ccc(OC(F)(F)F)cc2)cc1 |w:13.12|
Show InChI InChI=1S/C26H19F6N7O4/c27-25(28,29)42-18-7-3-16(4-8-18)33-24(41)39(17-5-9-19(10-6-17)43-26(30,31)32)21-12-2-14-13-15(1-11-20(14)21)22(40)34-23-35-37-38-36-23/h1,3-11,13,21H,2,12H2,(H,33,41)(H2,34,35,36,37,38,40)
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n/an/a 62n/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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n/an/a 67n/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))
BDBM50199499
PNG
(3-(1-(1-(4-cyclohexylphenyl)-3-(4-(trifluoromethox...)
Show SMILES OC(=O)CCNC(=O)c1ccc2C(CCc2c1)N(C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(cc1)C1CCCCC1 |w:12.18|
Show InChI InChI=1S/C33H34F3N3O5/c34-33(35,36)44-27-14-10-25(11-15-27)38-32(43)39(26-12-6-22(7-13-26)21-4-2-1-3-5-21)29-17-9-23-20-24(8-16-28(23)29)31(42)37-19-18-30(40)41/h6-8,10-16,20-21,29H,1-5,9,17-19H2,(H,37,42)(H,38,43)(H,40,41)
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n/an/a 68n/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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n/an/a 76n/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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n/an/a 76n/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))
BDBM50199502
PNG
(1-(5-((2H-tetrazol-5-yl)carbamoyl)-2,3-dihydro-1H-...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)N(C2CCc3cc(ccc23)C(=O)Nc2nnn[nH]2)c2ccc(cc2)C2CCCCC2)cc1 |w:13.12|
Show InChI InChI=1S/C31H30F3N7O3/c32-31(33,34)44-25-14-10-23(11-15-25)35-30(43)41(24-12-6-20(7-13-24)19-4-2-1-3-5-19)27-17-9-21-18-22(8-16-26(21)27)28(42)36-29-37-39-40-38-29/h6-8,10-16,18-19,27H,1-5,9,17H2,(H,35,43)(H2,36,37,38,39,40,42)
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n/an/a 85n/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
Gastric inhibitory polypeptide 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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n/an/a 117n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human GIP 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
Gastric inhibitory polypeptide 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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n/an/a 118n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human GIP 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))
BDBM50199501
PNG
(3-(1-(N-((1r,4r)-4-tert-butylcyclohexyl)-4-(triflu...)
Show SMILES CC(C)(C)[C@H]1CC[C@@H](CC1)N(C1CCc2cc(ccc12)C(=O)NCCC(O)=O)C(=O)c1ccc(OC(F)(F)F)cc1 |w:11.11,wU:7.10,wD:4.3,(-1.59,-53.39,;-1.58,-51.85,;-.04,-51.86,;-3.12,-51.85,;-1.58,-50.31,;-.25,-49.54,;-.25,-47.99,;-1.58,-47.24,;-2.92,-48.01,;-2.91,-49.54,;-1.59,-45.7,;-.26,-44.92,;-.11,-43.38,;1.4,-43.06,;2.17,-44.39,;3.67,-44.7,;4.15,-46.15,;3.12,-47.3,;1.62,-46.98,;1.15,-45.53,;5.66,-46.46,;5.69,-48,;6.98,-45.67,;8.33,-46.42,;9.65,-45.63,;11,-46.38,;12.32,-45.59,;11.02,-47.92,;-2.93,-44.94,;-2.94,-43.4,;-4.26,-45.71,;-5.6,-44.95,;-6.92,-45.72,;-6.93,-47.27,;-8.26,-48.03,;-8.26,-49.57,;-8.27,-51.11,;-6.72,-49.58,;-9.8,-49.57,;-5.6,-48.04,;-4.25,-47.26,)|
Show InChI InChI=1S/C31H37F3N2O5/c1-30(2,3)22-8-10-23(11-9-22)36(29(40)19-4-12-24(13-5-19)41-31(32,33)34)26-15-7-20-18-21(6-14-25(20)26)28(39)35-17-16-27(37)38/h4-6,12-14,18,22-23,26H,7-11,15-17H2,1-3H3,(H,35,39)(H,37,38)/t22-,23-,26?
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n/an/a 130n/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
Gastric inhibitory polypeptide 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 132n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human GIP 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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n/an/a 148n/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))
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 148n/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
Gastric inhibitory polypeptide 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 171n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human GIP 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
Gastric inhibitory polypeptide 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 178n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human GIP 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))
BDBM50199499
PNG
(3-(1-(1-(4-cyclohexylphenyl)-3-(4-(trifluoromethox...)
Show SMILES OC(=O)CCNC(=O)c1ccc2C(CCc2c1)N(C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(cc1)C1CCCCC1 |w:12.18|
Show InChI InChI=1S/C33H34F3N3O5/c34-33(35,36)44-27-14-10-25(11-15-27)38-32(43)39(26-12-6-22(7-13-26)21-4-2-1-3-5-21)29-17-9-23-20-24(8-16-28(23)29)31(42)37-19-18-30(40)41/h6-8,10-16,20-21,29H,1-5,9,17-19H2,(H,37,42)(H,38,43)(H,40,41)
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n/an/a 189n/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))
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 216n/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))
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 216n/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
Gastric inhibitory polypeptide 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 217n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human GIP 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))
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 218n/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))
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 218n/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
Gastric inhibitory polypeptide 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 286n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human GIP 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
Gastric inhibitory polypeptide 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 296n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human GIP 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))
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 340n/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))
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 340n/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))
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 359n/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))
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 359n/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
Gastric inhibitory polypeptide 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 435n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human GIP 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))
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 500n/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
Gastric inhibitory polypeptide 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 603n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human GIP 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
Gastric inhibitory polypeptide receptor


(Homo sapiens (Human))
BDBM50199503
PNG
(1-(N-((1r,4r)-4-tert-butylcyclohexyl)-4-(trifluoro...)
Show SMILES CC(C)(C)[C@H]1CC[C@@H](CC1)N(C1CCc2cc(ccc12)C(=O)Nc1nnn[nH]1)C(=O)c1ccc(OC(F)(F)F)cc1 |w:11.11,wU:7.10,wD:4.3,(22.77,-54.03,;22.78,-52.49,;24.32,-52.5,;21.24,-52.49,;22.78,-50.95,;24.11,-50.18,;24.11,-48.63,;22.77,-47.88,;21.44,-48.65,;21.44,-50.18,;22.77,-46.34,;24.1,-45.57,;24.25,-44.03,;25.75,-43.7,;26.53,-45.03,;28.02,-45.34,;28.51,-46.79,;27.48,-47.94,;25.98,-47.62,;25.5,-46.17,;30.01,-47.1,;30.5,-48.56,;31.04,-45.95,;32.55,-46.26,;33.19,-47.66,;34.72,-47.49,;35.03,-45.98,;33.69,-45.22,;21.43,-45.58,;21.42,-44.04,;20.1,-46.35,;18.76,-45.59,;17.43,-46.36,;17.43,-47.91,;16.1,-48.68,;16.09,-50.22,;16.08,-51.75,;17.63,-50.22,;14.55,-50.21,;18.76,-48.68,;20.1,-47.91,)|
Show InChI InChI=1S/C29H33F3N6O3/c1-28(2,3)20-8-10-21(11-9-20)38(26(40)17-4-12-22(13-5-17)41-29(30,31)32)24-15-7-18-16-19(6-14-23(18)24)25(39)33-27-34-36-37-35-27/h4-6,12-14,16,20-21,24H,7-11,15H2,1-3H3,(H2,33,34,35,36,37,39)/t20-,21-,24?
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n/an/a 610n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human GIP 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))
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 795n/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))
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 795n/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))
BDBM50199505
PNG
(3-(1-(1,3-bis(4-(trifluoromethoxy)phenyl)ureido)-2...)
Show SMILES OC(=O)CCNC(=O)c1ccc2C(CCc2c1)N(C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1 |w:12.18|
Show InChI InChI=1S/C28H23F6N3O6/c29-27(30,31)42-20-7-3-18(4-8-20)36-26(41)37(19-5-9-21(10-6-19)43-28(32,33)34)23-12-2-16-15-17(1-11-22(16)23)25(40)35-14-13-24(38)39/h1,3-11,15,23H,2,12-14H2,(H,35,40)(H,36,41)(H,38,39)
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n/an/a 820n/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))
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 1.01E+3n/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))
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 1.01E+3n/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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n/an/a 1.05E+3n/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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n/an/a 1.05E+3n/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
Gastric inhibitory polypeptide 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 1.28E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human GIP 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))
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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n/an/a 1.45E+3n/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))
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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n/an/a 1.45E+3n/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))
BDBM50199503
PNG
(1-(N-((1r,4r)-4-tert-butylcyclohexyl)-4-(trifluoro...)
Show SMILES CC(C)(C)[C@H]1CC[C@@H](CC1)N(C1CCc2cc(ccc12)C(=O)Nc1nnn[nH]1)C(=O)c1ccc(OC(F)(F)F)cc1 |w:11.11,wU:7.10,wD:4.3,(22.77,-54.03,;22.78,-52.49,;24.32,-52.5,;21.24,-52.49,;22.78,-50.95,;24.11,-50.18,;24.11,-48.63,;22.77,-47.88,;21.44,-48.65,;21.44,-50.18,;22.77,-46.34,;24.1,-45.57,;24.25,-44.03,;25.75,-43.7,;26.53,-45.03,;28.02,-45.34,;28.51,-46.79,;27.48,-47.94,;25.98,-47.62,;25.5,-46.17,;30.01,-47.1,;30.5,-48.56,;31.04,-45.95,;32.55,-46.26,;33.19,-47.66,;34.72,-47.49,;35.03,-45.98,;33.69,-45.22,;21.43,-45.58,;21.42,-44.04,;20.1,-46.35,;18.76,-45.59,;17.43,-46.36,;17.43,-47.91,;16.1,-48.68,;16.09,-50.22,;16.08,-51.75,;17.63,-50.22,;14.55,-50.21,;18.76,-48.68,;20.1,-47.91,)|
Show InChI InChI=1S/C29H33F3N6O3/c1-28(2,3)20-8-10-21(11-9-20)38(26(40)17-4-12-22(13-5-17)41-29(30,31)32)24-15-7-18-16-19(6-14-23(18)24)25(39)33-27-34-36-37-35-27/h4-6,12-14,16,20-21,24H,7-11,15H2,1-3H3,(H2,33,34,35,36,37,39)/t20-,21-,24?
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n/an/a 1.47E+3n/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
Gastric inhibitory polypeptide receptor


(Homo sapiens (Human))
BDBM50199490
PNG
(3-(1-(3-(3,5-bis(trifluoromethyl)phenyl)-1-((1r,4r...)
Show SMILES CC(C)(C)[C@H]1CC[C@@H](CC1)N(C1CCc2cc(ccc12)C(=O)NCCC(O)=O)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:11.11,wU:7.10,wD:4.3,(-2.57,-20.33,;-2.56,-18.79,;-1.02,-18.8,;-4.1,-18.79,;-2.55,-17.25,;-1.22,-16.48,;-1.21,-14.94,;-2.53,-14.18,;-3.88,-14.94,;-3.88,-16.48,;-2.54,-12.64,;-1.2,-11.87,;-.88,-10.37,;.98,-10.4,;1.45,-11.86,;2.79,-12.62,;2.79,-14.17,;1.46,-14.94,;.12,-14.17,;.13,-12.63,;4.13,-14.93,;4.13,-16.47,;5.46,-14.16,;6.8,-14.93,;8.13,-14.16,;9.46,-14.92,;10.79,-14.15,;9.47,-16.46,;-3.87,-11.87,;-3.87,-10.33,;-5.2,-12.64,;-6.54,-11.87,;-6.54,-10.32,;-7.88,-9.56,;-9.21,-10.33,;-9.21,-11.87,;-7.88,-12.64,;-10.55,-12.64,;-11.88,-13.4,;-9.78,-13.98,;-11.31,-11.3,;-7.89,-8.02,;-7.91,-6.47,;-6.35,-8.01,;-9.43,-8.03,)|
Show InChI InChI=1S/C32H37F6N3O4/c1-30(2,3)20-6-8-24(9-7-20)41(29(45)40-23-16-21(31(33,34)35)15-22(17-23)32(36,37)38)26-11-5-18-14-19(4-10-25(18)26)28(44)39-13-12-27(42)43/h4,10,14-17,20,24,26H,5-9,11-13H2,1-3H3,(H,39,44)(H,40,45)(H,42,43)/t20-,24-,26?
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n/an/a 2.02E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human GIP 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))
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 2.17E+3n/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))
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 2.17E+3n/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))
BDBM50199501
PNG
(3-(1-(N-((1r,4r)-4-tert-butylcyclohexyl)-4-(triflu...)
Show SMILES CC(C)(C)[C@H]1CC[C@@H](CC1)N(C1CCc2cc(ccc12)C(=O)NCCC(O)=O)C(=O)c1ccc(OC(F)(F)F)cc1 |w:11.11,wU:7.10,wD:4.3,(-1.59,-53.39,;-1.58,-51.85,;-.04,-51.86,;-3.12,-51.85,;-1.58,-50.31,;-.25,-49.54,;-.25,-47.99,;-1.58,-47.24,;-2.92,-48.01,;-2.91,-49.54,;-1.59,-45.7,;-.26,-44.92,;-.11,-43.38,;1.4,-43.06,;2.17,-44.39,;3.67,-44.7,;4.15,-46.15,;3.12,-47.3,;1.62,-46.98,;1.15,-45.53,;5.66,-46.46,;5.69,-48,;6.98,-45.67,;8.33,-46.42,;9.65,-45.63,;11,-46.38,;12.32,-45.59,;11.02,-47.92,;-2.93,-44.94,;-2.94,-43.4,;-4.26,-45.71,;-5.6,-44.95,;-6.92,-45.72,;-6.93,-47.27,;-8.26,-48.03,;-8.26,-49.57,;-8.27,-51.11,;-6.72,-49.58,;-9.8,-49.57,;-5.6,-48.04,;-4.25,-47.26,)|
Show InChI InChI=1S/C31H37F3N2O5/c1-30(2,3)22-8-10-23(11-9-22)36(29(40)19-4-12-24(13-5-19)41-31(32,33)34)26-15-7-20-18-21(6-14-25(20)26)28(39)35-17-16-27(37)38/h4-6,12-14,18,22-23,26H,7-11,15-17H2,1-3H3,(H,35,39)(H,37,38)/t22-,23-,26?
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n/an/a 2.78E+3n/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))
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 2.88E+3n/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))
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 2.89E+3n/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))
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 3.38E+3n/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 3.38E+3n/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))
BDBM50199504
PNG
(1-(5-((2H-tetrazol-5-yl)carbamoyl)-2,3-dihydro-1H-...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)N(C2CCc3cc(ccc23)C(=O)Nc2nnn[nH]2)c2ccc(OC(F)(F)F)cc2)cc1 |w:13.12|
Show InChI InChI=1S/C26H19F6N7O4/c27-25(28,29)42-18-7-3-16(4-8-18)33-24(41)39(17-5-9-19(10-6-17)43-26(30,31)32)21-12-2-14-13-15(1-11-20(14)21)22(40)34-23-35-37-38-36-23/h1,3-11,13,21H,2,12H2,(H,33,41)(H2,34,35,36,37,38,40)
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n/an/a 3.43E+3n/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
Gastric inhibitory polypeptide 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 3.53E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human GIP 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
Gastric inhibitory polypeptide 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 4.26E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human GIP 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
* indicates data uncertainty>20%