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Compile Data Set for Download or QSAR

Found 106 hits Enz. Inhib. hit(s) with all data for entry = 50040409   
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))
BDBM50393776
PNG
(CHEMBL2159349)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)cc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C33H27ClF3N3O4/c1-19(20-3-5-21(6-4-20)32(43)38-12-11-31(41)42)40-30(24-8-7-23-16-28(44-2)10-9-22(23)13-24)18-29(39-40)25-14-26(33(35,36)37)17-27(34)15-25/h3-10,13-19H,11-12H2,1-2H3,(H,38,43)(H,41,42)/t19-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells after 3 hrs by scintillation proximity assay


J Med Chem 55: 6137-48 (2012)


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


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

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells after 3 hrs by scintillation proximity assay


J Med Chem 55: 6137-48 (2012)


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


(Homo sapiens (Human))
BDBM50393780
PNG
(CHEMBL2159353)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(ccc1F)C(F)(F)F |r|
Show InChI InChI=1S/C33H27F4N3O4/c1-19(20-3-5-21(6-4-20)32(43)38-14-13-31(41)42)40-30(24-8-7-23-16-26(44-2)11-9-22(23)15-24)18-29(39-40)27-17-25(33(35,36)37)10-12-28(27)34/h3-12,15-19H,13-14H2,1-2H3,(H,38,43)(H,41,42)/t19-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells after 3 hrs by scintillation proximity assay


J Med Chem 55: 6137-48 (2012)


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


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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells after 3 hrs by scintillation proximity assay


J Med Chem 55: 6137-48 (2012)


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


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

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells after 3 hrs by scintillation proximity assay


J Med Chem 55: 6137-48 (2012)


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


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

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells after 3 hrs by scintillation proximity assay


J Med Chem 55: 6137-48 (2012)


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


(Homo sapiens (Human))
BDBM50393776
PNG
(CHEMBL2159349)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)cc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C33H27ClF3N3O4/c1-19(20-3-5-21(6-4-20)32(43)38-12-11-31(41)42)40-30(24-8-7-23-16-28(44-2)10-9-22(23)13-24)18-29(39-40)25-14-26(33(35,36)37)17-27(34)15-25/h3-10,13-19H,11-12H2,1-2H3,(H,38,43)(H,41,42)/t19-/m0/s1
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n/an/a 5.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human GCGR expressed in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 mins prior ...


J Med Chem 55: 6137-48 (2012)


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


(Homo sapiens (Human))
BDBM50360601
PNG
(CHEMBL1933349 | MK-0893)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C32H27Cl2N3O4/c1-19(20-3-5-21(6-4-20)32(40)35-12-11-31(38)39)37-30(18-29(36-37)25-14-26(33)17-27(34)15-25)24-8-7-23-16-28(41-2)10-9-22(23)13-24/h3-10,13-19H,11-12H2,1-2H3,(H,35,40)(H,38,39)/t19-/m0/s1
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n/an/a 6.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells after 3 hrs by scintillation proximity assay


J Med Chem 55: 6137-48 (2012)


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


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

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells after 3 hrs by scintillation proximity assay


J Med Chem 55: 6137-48 (2012)


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


(Homo sapiens (Human))
BDBM50393788
PNG
(CHEMBL2159347)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)ccc1Cl |r|
Show InChI InChI=1S/C32H27Cl2N3O4/c1-19(20-3-5-21(6-4-20)32(40)35-14-13-31(38)39)37-30(18-29(36-37)27-17-25(33)10-12-28(27)34)24-8-7-23-16-26(41-2)11-9-22(23)15-24/h3-12,15-19H,13-14H2,1-2H3,(H,35,40)(H,38,39)/t19-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells after 3 hrs by scintillation proximity assay


J Med Chem 55: 6137-48 (2012)


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


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

Curated by ChEMBL


Assay Description
Antagonist activity at human GCGR expressed in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 mins prior ...


J Med Chem 55: 6137-48 (2012)


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


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

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells after 3 hrs by scintillation proximity assay


J Med Chem 55: 6137-48 (2012)


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


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

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells after 3 hrs by scintillation proximity assay


J Med Chem 55: 6137-48 (2012)


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


(Homo sapiens (Human))
BDBM50393787
PNG
(CHEMBL2159343)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C33H29Cl2N3O4/c1-3-42-29-11-10-23-14-25(9-8-24(23)17-29)31-19-30(26-15-27(34)18-28(35)16-26)37-38(31)20(2)21-4-6-22(7-5-21)33(41)36-13-12-32(39)40/h4-11,14-20H,3,12-13H2,1-2H3,(H,36,41)(H,39,40)/t20-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells after 3 hrs by scintillation proximity assay


J Med Chem 55: 6137-48 (2012)


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


(Homo sapiens (Human))
BDBM50393779
PNG
(CHEMBL2159352)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(ccc1C)C(F)(F)F |r|
Show InChI InChI=1S/C34H30F3N3O4/c1-20-4-12-27(34(35,36)37)18-29(20)30-19-31(26-10-9-25-17-28(44-3)13-11-24(25)16-26)40(39-30)21(2)22-5-7-23(8-6-22)33(43)38-15-14-32(41)42/h4-13,16-19,21H,14-15H2,1-3H3,(H,38,43)(H,41,42)/t21-/m0/s1
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n/an/a 9.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells after 3 hrs by scintillation proximity assay


J Med Chem 55: 6137-48 (2012)


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


(Homo sapiens (Human))
BDBM50393783
PNG
(CHEMBL2159339)
Show SMILES C[C@@H](c1ccc(cc1)C(=O)NCCC(O)=O)n1nc(cc1-c1ccc2cc(ccc2c1)C(F)(F)F)-c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C32H24Cl2F3N3O3/c1-18(19-2-4-20(5-3-19)31(43)38-11-10-30(41)42)40-29(17-28(39-40)24-14-26(33)16-27(34)15-24)23-7-6-22-13-25(32(35,36)37)9-8-21(22)12-23/h2-9,12-18H,10-11H2,1H3,(H,38,43)(H,41,42)/t18-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells after 3 hrs by scintillation proximity assay


J Med Chem 55: 6137-48 (2012)


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


(Homo sapiens (Human))
BDBM50393788
PNG
(CHEMBL2159347)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)ccc1Cl |r|
Show InChI InChI=1S/C32H27Cl2N3O4/c1-19(20-3-5-21(6-4-20)32(40)35-14-13-31(38)39)37-30(18-29(36-37)27-17-25(33)10-12-28(27)34)24-8-7-23-16-26(41-2)11-9-22(23)15-24/h3-12,15-19H,13-14H2,1-2H3,(H,35,40)(H,38,39)/t19-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human GCGR expressed in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 mins prior ...


J Med Chem 55: 6137-48 (2012)


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


(Homo sapiens (Human))
BDBM50393780
PNG
(CHEMBL2159353)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(ccc1F)C(F)(F)F |r|
Show InChI InChI=1S/C33H27F4N3O4/c1-19(20-3-5-21(6-4-20)32(43)38-14-13-31(41)42)40-30(24-8-7-23-16-26(44-2)11-9-22(23)15-24)18-29(39-40)27-17-25(33(35,36)37)10-12-28(27)34/h3-12,15-19H,13-14H2,1-2H3,(H,38,43)(H,41,42)/t19-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human GCGR expressed in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 mins prior ...


J Med Chem 55: 6137-48 (2012)


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


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

Curated by ChEMBL


Assay Description
Antagonist activity at human GCGR expressed in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 mins prior ...


J Med Chem 55: 6137-48 (2012)


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


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

Curated by ChEMBL


Assay Description
Antagonist activity at human GCGR expressed in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 mins prior ...


J Med Chem 55: 6137-48 (2012)


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


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

Curated by ChEMBL


Assay Description
Antagonist activity at human GCGR expressed in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 mins prior ...


J Med Chem 55: 6137-48 (2012)


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


(Homo sapiens (Human))
BDBM50393783
PNG
(CHEMBL2159339)
Show SMILES C[C@@H](c1ccc(cc1)C(=O)NCCC(O)=O)n1nc(cc1-c1ccc2cc(ccc2c1)C(F)(F)F)-c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C32H24Cl2F3N3O3/c1-18(19-2-4-20(5-3-19)31(43)38-11-10-30(41)42)40-29(17-28(39-40)24-14-26(33)16-27(34)15-24)23-7-6-22-13-25(32(35,36)37)9-8-21(22)12-23/h2-9,12-18H,10-11H2,1H3,(H,38,43)(H,41,42)/t18-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human GCGR expressed in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 mins prior ...


J Med Chem 55: 6137-48 (2012)


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


(Homo sapiens (Human))
BDBM50393791
PNG
(CHEMBL2159345)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)C(F)(F)F |r|
Show InChI InChI=1S/C27H24F3N3O4/c1-16(17-3-5-18(6-4-17)26(36)31-12-11-25(34)35)33-23(15-24(32-33)27(28,29)30)21-8-7-20-14-22(37-2)10-9-19(20)13-21/h3-10,13-16H,11-12H2,1-2H3,(H,31,36)(H,34,35)/t16-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells after 3 hrs by scintillation proximity assay


J Med Chem 55: 6137-48 (2012)


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


(Homo sapiens (Human))
BDBM50393777
PNG
(CHEMBL2159350)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)cc(OC)c1 |r|
Show InChI InChI=1S/C33H30ClN3O5/c1-20(21-4-6-22(7-5-21)33(40)35-13-12-32(38)39)37-31(19-30(36-37)26-15-27(34)18-29(17-26)42-3)25-9-8-24-16-28(41-2)11-10-23(24)14-25/h4-11,14-20H,12-13H2,1-3H3,(H,35,40)(H,38,39)/t20-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells after 3 hrs by scintillation proximity assay


J Med Chem 55: 6137-48 (2012)


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


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

Curated by ChEMBL


Assay Description
Antagonist activity at human GCGR expressed in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 mins prior ...


J Med Chem 55: 6137-48 (2012)


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


(Homo sapiens (Human))
BDBM50393774
PNG
(CHEMBL2159335)
Show SMILES CCCOc1ccc(cc1Cl)-c1cc(nn1C(C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C30H28Cl3N3O4/c1-3-12-40-28-9-8-21(15-25(28)33)27-17-26(22-13-23(31)16-24(32)14-22)35-36(27)18(2)19-4-6-20(7-5-19)30(39)34-11-10-29(37)38/h4-9,13-18H,3,10-12H2,1-2H3,(H,34,39)(H,37,38)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells after 3 hrs by scintillation proximity assay


J Med Chem 55: 6137-48 (2012)


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


(Homo sapiens (Human))
BDBM50360601
PNG
(CHEMBL1933349 | MK-0893)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C32H27Cl2N3O4/c1-19(20-3-5-21(6-4-20)32(40)35-12-11-31(38)39)37-30(18-29(36-37)25-14-26(33)17-27(34)15-25)24-8-7-23-16-28(41-2)10-9-22(23)13-24/h3-10,13-19H,11-12H2,1-2H3,(H,35,40)(H,38,39)/t19-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human GCGR expressed in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 mins prior ...


J Med Chem 55: 6137-48 (2012)


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


(Homo sapiens (Human))
BDBM50393768
PNG
(CHEMBL2159329)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc(nn1Cc1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C31H25Cl2N3O4/c1-40-27-9-8-21-12-23(7-6-22(21)15-27)29-17-28(24-13-25(32)16-26(33)14-24)35-36(29)18-19-2-4-20(5-3-19)31(39)34-11-10-30(37)38/h2-9,12-17H,10-11,18H2,1H3,(H,34,39)(H,37,38)
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n/an/a 16n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells after 3 hrs by scintillation proximity assay


J Med Chem 55: 6137-48 (2012)


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


(Homo sapiens (Human))
BDBM50393782
PNG
(CHEMBL2159338)
Show SMILES C[C@H](c1ccc(cc1)C(=O)NCCC(O)=O)n1nc(cc1-c1ccc2cc(OC(F)(F)F)ccc2c1)-c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C32H24Cl2F3N3O4/c1-18(19-2-4-20(5-3-19)31(43)38-11-10-30(41)42)40-29(17-28(39-40)24-13-25(33)16-26(34)14-24)23-7-6-22-15-27(44-32(35,36)37)9-8-21(22)12-23/h2-9,12-18H,10-11H2,1H3,(H,38,43)(H,41,42)/t18-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells after 3 hrs by scintillation proximity assay


J Med Chem 55: 6137-48 (2012)


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


(Homo sapiens (Human))
BDBM50393787
PNG
(CHEMBL2159343)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C33H29Cl2N3O4/c1-3-42-29-11-10-23-14-25(9-8-24(23)17-29)31-19-30(26-15-27(34)18-28(35)16-26)37-38(31)20(2)21-4-6-22(7-5-21)33(41)36-13-12-32(39)40/h4-11,14-20H,3,12-13H2,1-2H3,(H,36,41)(H,39,40)/t20-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human GCGR expressed in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 mins prior ...


J Med Chem 55: 6137-48 (2012)


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


(Homo sapiens (Human))
BDBM50393779
PNG
(CHEMBL2159352)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(ccc1C)C(F)(F)F |r|
Show InChI InChI=1S/C34H30F3N3O4/c1-20-4-12-27(34(35,36)37)18-29(20)30-19-31(26-10-9-25-17-28(44-3)13-11-24(25)16-26)40(39-30)21(2)22-5-7-23(8-6-22)33(43)38-15-14-32(41)42/h4-13,16-19,21H,14-15H2,1-3H3,(H,38,43)(H,41,42)/t21-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human GCGR expressed in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 mins prior ...


J Med Chem 55: 6137-48 (2012)


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


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

Curated by ChEMBL


Assay Description
Antagonist activity at human GCGR expressed in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 mins prior ...


J Med Chem 55: 6137-48 (2012)


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


(Homo sapiens (Human))
BDBM50393782
PNG
(CHEMBL2159338)
Show SMILES C[C@H](c1ccc(cc1)C(=O)NCCC(O)=O)n1nc(cc1-c1ccc2cc(OC(F)(F)F)ccc2c1)-c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C32H24Cl2F3N3O4/c1-18(19-2-4-20(5-3-19)31(43)38-11-10-30(41)42)40-29(17-28(39-40)24-13-25(33)16-26(34)14-24)23-7-6-22-15-27(44-32(35,36)37)9-8-21(22)12-23/h2-9,12-18H,10-11H2,1H3,(H,38,43)(H,41,42)/t18-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human GCGR expressed in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 mins prior ...


J Med Chem 55: 6137-48 (2012)


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


(Homo sapiens (Human))
BDBM50393766
PNG
(CHEMBL2159327)
Show SMILES CCCOc1ccc(cc1Cl)-c1cc(nn1Cc1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C29H26Cl3N3O4/c1-2-11-39-27-8-7-20(14-24(27)32)26-16-25(21-12-22(30)15-23(31)13-21)34-35(26)17-18-3-5-19(6-4-18)29(38)33-10-9-28(36)37/h3-8,12-16H,2,9-11,17H2,1H3,(H,33,38)(H,36,37)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells after 3 hrs by scintillation proximity assay


J Med Chem 55: 6137-48 (2012)


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


(Homo sapiens (Human))
BDBM50393769
PNG
(CHEMBL2159330)
Show SMILES OC(=O)CCNC(=O)c1ccc(Cn2nc(cc2-c2ccc3c(OC(F)(F)F)cccc3c2)-c2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C31H22Cl2F3N3O4/c32-23-13-22(14-24(33)15-23)26-16-27(21-8-9-25-20(12-21)2-1-3-28(25)43-31(34,35)36)39(38-26)17-18-4-6-19(7-5-18)30(42)37-11-10-29(40)41/h1-9,12-16H,10-11,17H2,(H,37,42)(H,40,41)
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n/an/a 41n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells after 3 hrs by scintillation proximity assay


J Med Chem 55: 6137-48 (2012)


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


(Homo sapiens (Human))
BDBM50393778
PNG
(CHEMBL2159351)
Show SMILES CCCOc1cc(Cl)cc(c1)-c1cc(-c2ccc3cc(OC)ccc3c2)n(n1)[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O |r|
Show InChI InChI=1S/C35H34ClN3O5/c1-4-15-44-31-19-28(17-29(36)20-31)32-21-33(27-10-9-26-18-30(43-3)12-11-25(26)16-27)39(38-32)22(2)23-5-7-24(8-6-23)35(42)37-14-13-34(40)41/h5-12,16-22H,4,13-15H2,1-3H3,(H,37,42)(H,40,41)/t22-/m0/s1
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n/an/a 47n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human GCGR expressed in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 mins prior ...


J Med Chem 55: 6137-48 (2012)


Article DOI: 10.1021/jm300579z
BindingDB Entry DOI: 10.7270/Q2X63P2C
More data for this
Ligand-Target Pair
Glucagon receptor [1-477]


(Macaca mulatta)
BDBM50360601
PNG
(CHEMBL1933349 | MK-0893)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C32H27Cl2N3O4/c1-19(20-3-5-21(6-4-20)32(40)35-12-11-31(38)39)37-30(18-29(36-37)25-14-26(33)17-27(34)15-25)24-8-7-23-16-28(41-2)10-9-22(23)13-24/h3-10,13-19H,11-12H2,1-2H3,(H,35,40)(H,38,39)/t19-/m0/s1
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n/an/a 56n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rhesus monkey GCGR expressed in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 min...


J Med Chem 55: 6137-48 (2012)


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


(Homo sapiens (Human))
BDBM50393767
PNG
(CHEMBL2159328)
Show SMILES OC(=O)CCNC(=O)c1ccc(Cn2nc(cc2-c2ccc3ccccc3c2)-c2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C30H23Cl2N3O3/c31-25-14-24(15-26(32)16-25)27-17-28(23-10-9-20-3-1-2-4-22(20)13-23)35(34-27)18-19-5-7-21(8-6-19)30(38)33-12-11-29(36)37/h1-10,13-17H,11-12,18H2,(H,33,38)(H,36,37)
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n/an/a 59n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human GCGR expressed in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 mins prior ...


J Med Chem 55: 6137-48 (2012)


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


(Homo sapiens (Human))
BDBM50393767
PNG
(CHEMBL2159328)
Show SMILES OC(=O)CCNC(=O)c1ccc(Cn2nc(cc2-c2ccc3ccccc3c2)-c2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C30H23Cl2N3O3/c31-25-14-24(15-26(32)16-25)27-17-28(23-10-9-20-3-1-2-4-22(20)13-23)35(34-27)18-19-5-7-21(8-6-19)30(38)33-12-11-29(36)37/h1-10,13-17H,11-12,18H2,(H,33,38)(H,36,37)
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n/an/a 61n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells after 3 hrs by scintillation proximity assay


J Med Chem 55: 6137-48 (2012)


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


(Homo sapiens (Human))
BDBM50393791
PNG
(CHEMBL2159345)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)C(F)(F)F |r|
Show InChI InChI=1S/C27H24F3N3O4/c1-16(17-3-5-18(6-4-17)26(36)31-12-11-25(34)35)33-23(15-24(32-33)27(28,29)30)21-8-7-20-14-22(37-2)10-9-19(20)13-21/h3-10,13-16H,11-12H2,1-2H3,(H,31,36)(H,34,35)/t16-/m0/s1
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n/an/a 63n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human GCGR expressed in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 mins prior ...


J Med Chem 55: 6137-48 (2012)


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


(Homo sapiens (Human))
BDBM50393771
PNG
(CHEMBL2159332)
Show SMILES OC(=O)CCNC(=O)c1ccc(Cn2nc(cc2-c2ccc3ccc(OC(F)(F)F)cc3c2)-c2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C31H22Cl2F3N3O4/c32-24-12-23(13-25(33)15-24)27-16-28(21-6-5-19-7-8-26(14-22(19)11-21)43-31(34,35)36)39(38-27)17-18-1-3-20(4-2-18)30(42)37-10-9-29(40)41/h1-8,11-16H,9-10,17H2,(H,37,42)(H,40,41)
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n/an/a 64n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells after 3 hrs by scintillation proximity assay


J Med Chem 55: 6137-48 (2012)


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


(Homo sapiens (Human))
BDBM50393774
PNG
(CHEMBL2159335)
Show SMILES CCCOc1ccc(cc1Cl)-c1cc(nn1C(C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C30H28Cl3N3O4/c1-3-12-40-28-9-8-21(15-25(28)33)27-17-26(22-13-23(31)16-24(32)14-22)35-36(27)18(2)19-4-6-20(7-5-19)30(39)34-11-10-29(37)38/h4-9,13-18H,3,10-12H2,1-2H3,(H,34,39)(H,37,38)
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n/an/a 65n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human GCGR expressed in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 mins prior ...


J Med Chem 55: 6137-48 (2012)


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


(Homo sapiens (Human))
BDBM50393777
PNG
(CHEMBL2159350)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)cc(OC)c1 |r|
Show InChI InChI=1S/C33H30ClN3O5/c1-20(21-4-6-22(7-5-21)33(40)35-13-12-32(38)39)37-31(19-30(36-37)26-15-27(34)18-29(17-26)42-3)25-9-8-24-16-28(41-2)11-10-23(24)14-25/h4-11,14-20H,12-13H2,1-3H3,(H,35,40)(H,38,39)/t20-/m0/s1
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n/an/a 68n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human GCGR expressed in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 mins prior ...


J Med Chem 55: 6137-48 (2012)


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


(Homo sapiens (Human))
BDBM50393773
PNG
(CHEMBL2159334)
Show SMILES CC(c1ccc(cc1)C(=O)NCCC(O)=O)n1nc(cc1-c1ccc(OC(F)(F)F)cc1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-16(17-2-4-19(5-3-17)27(39)34-11-10-26(37)38)36-25(18-6-8-23(9-7-18)40-28(31,32)33)15-24(35-36)20-12-21(29)14-22(30)13-20/h2-9,12-16H,10-11H2,1H3,(H,34,39)(H,37,38)
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n/an/a 78n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human GCGR expressed in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 mins prior ...


J Med Chem 55: 6137-48 (2012)


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


(Homo sapiens (Human))
BDBM50393792
PNG
(CHEMBL2159346)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)C(C)(C)C |r|
Show InChI InChI=1S/C30H33N3O4/c1-19(20-6-8-21(9-7-20)29(36)31-15-14-28(34)35)33-26(18-27(32-33)30(2,3)4)24-11-10-23-17-25(37-5)13-12-22(23)16-24/h6-13,16-19H,14-15H2,1-5H3,(H,31,36)(H,34,35)/t19-/m0/s1
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n/an/a 82n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells after 3 hrs by scintillation proximity assay


J Med Chem 55: 6137-48 (2012)


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


(Homo sapiens (Human))
BDBM50334481
PNG
(3-(4-((3-(3,5-dichlorophenyl)-5-(4-(trifluorometho...)
Show SMILES OC(=O)CCNC(=O)c1ccc(Cn2nc(cc2-c2ccc(OC(F)(F)F)cc2)-c2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C27H20Cl2F3N3O4/c28-20-11-19(12-21(29)13-20)23-14-24(17-5-7-22(8-6-17)39-27(30,31)32)35(34-23)15-16-1-3-18(4-2-16)26(38)33-10-9-25(36)37/h1-8,11-14H,9-10,15H2,(H,33,38)(H,36,37)
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n/an/a 86n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells after 3 hrs by scintillation proximity assay


J Med Chem 55: 6137-48 (2012)


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


(Homo sapiens (Human))
BDBM50393768
PNG
(CHEMBL2159329)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc(nn1Cc1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C31H25Cl2N3O4/c1-40-27-9-8-21-12-23(7-6-22(21)15-27)29-17-28(24-13-25(32)16-26(33)14-24)35-36(29)18-19-2-4-20(5-3-19)31(39)34-11-10-30(37)38/h2-9,12-17H,10-11,18H2,1H3,(H,34,39)(H,37,38)
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n/an/a 91n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human GCGR expressed in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 mins prior ...


J Med Chem 55: 6137-48 (2012)


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


(Homo sapiens (Human))
BDBM50393773
PNG
(CHEMBL2159334)
Show SMILES CC(c1ccc(cc1)C(=O)NCCC(O)=O)n1nc(cc1-c1ccc(OC(F)(F)F)cc1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-16(17-2-4-19(5-3-17)27(39)34-11-10-26(37)38)36-25(18-6-8-23(9-7-18)40-28(31,32)33)15-24(35-36)20-12-21(29)14-22(30)13-20/h2-9,12-16H,10-11H2,1H3,(H,34,39)(H,37,38)
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n/an/a 100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells after 3 hrs by scintillation proximity assay


J Med Chem 55: 6137-48 (2012)


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


(Homo sapiens (Human))
BDBM50393766
PNG
(CHEMBL2159327)
Show SMILES CCCOc1ccc(cc1Cl)-c1cc(nn1Cc1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C29H26Cl3N3O4/c1-2-11-39-27-8-7-20(14-24(27)32)26-16-25(21-12-22(30)15-23(31)13-21)34-35(26)17-18-3-5-19(6-4-18)29(38)33-10-9-28(36)37/h3-8,12-16H,2,9-11,17H2,1H3,(H,33,38)(H,36,37)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human GCGR expressed in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 mins prior ...


J Med Chem 55: 6137-48 (2012)


Article DOI: 10.1021/jm300579z
BindingDB Entry DOI: 10.7270/Q2X63P2C
More data for this
Ligand-Target Pair
Uncharacterized protein [173-650]


(Canis familiaris)
BDBM50360601
PNG
(CHEMBL1933349 | MK-0893)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C32H27Cl2N3O4/c1-19(20-3-5-21(6-4-20)32(40)35-12-11-31(38)39)37-30(18-29(36-37)25-14-26(33)17-27(34)15-25)24-8-7-23-16-28(41-2)10-9-22(23)13-24/h3-10,13-19H,11-12H2,1-2H3,(H,35,40)(H,38,39)/t19-/m0/s1
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n/an/a 105n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at dog GCGR expressed in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 mins prior to...


J Med Chem 55: 6137-48 (2012)


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