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Compile Data Set for Download or QSAR

Found 439 hits with Last Name = 'dai' and Initial = 'p'   
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50366495
PNG
(CHEMBL1255588)
Show SMILES CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc([C@H]2C1)c34 |r|
Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency was measured by the displacement of [3H]spiperone binding to human D2 dopaminergic receptor


Bioorg Med Chem Lett 7: 1207-1212 (1997)


Article DOI: 10.1016/S0960-894X(97)00194-7
BindingDB Entry DOI: 10.7270/Q2CJ8F0Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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3.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency was measured by the displacement of [3H]spiperone binding to human D2 dopaminergic receptor


Bioorg Med Chem Lett 7: 1207-1212 (1997)


Article DOI: 10.1016/S0960-894X(97)00194-7
BindingDB Entry DOI: 10.7270/Q2CJ8F0Z
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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3.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency was measured by the displacement of [3H]-spiperone binding to human D4 dopaminergic receptor


Bioorg Med Chem Lett 7: 1207-1212 (1997)


Article DOI: 10.1016/S0960-894X(97)00194-7
BindingDB Entry DOI: 10.7270/Q2CJ8F0Z
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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72n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency was measured by the displacement of [3H]-spiperone binding to human D4 dopaminergic receptor


Bioorg Med Chem Lett 7: 1207-1212 (1997)


Article DOI: 10.1016/S0960-894X(97)00194-7
BindingDB Entry DOI: 10.7270/Q2CJ8F0Z
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50366495
PNG
(CHEMBL1255588)
Show SMILES CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc([C@H]2C1)c34 |r|
Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m1/s1
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185n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency was measured by the displacement of [3H]-spiperone binding to human D4 dopaminergic receptor


Bioorg Med Chem Lett 7: 1207-1212 (1997)


Article DOI: 10.1016/S0960-894X(97)00194-7
BindingDB Entry DOI: 10.7270/Q2CJ8F0Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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250n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency was measured by the displacement of [3H]spiperone binding to human D2 dopaminergic receptor


Bioorg Med Chem Lett 7: 1207-1212 (1997)


Article DOI: 10.1016/S0960-894X(97)00194-7
BindingDB Entry DOI: 10.7270/Q2CJ8F0Z
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50291683
PNG
(1-(3,4-Dihydroxy-benzyl)-2-methyl-1,2,3,4-tetrahyd...)
Show SMILES CN1CCc2cc(O)c(O)cc2C1Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C17H19NO4/c1-18-5-4-11-8-16(21)17(22)9-12(11)13(18)6-10-2-3-14(19)15(20)7-10/h2-3,7-9,13,19-22H,4-6H2,1H3
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350n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency was measured by the displacement of [3H]-spiperone binding to human D4 dopaminergic receptor


Bioorg Med Chem Lett 7: 1207-1212 (1997)


Article DOI: 10.1016/S0960-894X(97)00194-7
BindingDB Entry DOI: 10.7270/Q2CJ8F0Z
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50291681
PNG
(2,3-Dihydro-1H-indol-5-ol | CHEMBL19331)
Show SMILES Oc1ccc2NCCc2c1
Show InChI InChI=1S/C8H9NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-2,5,9-10H,3-4H2
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500n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency was measured by the displacement of [3H]spiperone binding to human D2 dopaminergic receptor


Bioorg Med Chem Lett 7: 1207-1212 (1997)


Article DOI: 10.1016/S0960-894X(97)00194-7
BindingDB Entry DOI: 10.7270/Q2CJ8F0Z
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50450614
PNG
(CHEMBL2303762)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(CC3NCCc4cc(O)c(O)cc34)cc2)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C22H27NO8/c24-10-18-19(27)20(28)21(29)22(31-18)30-13-3-1-11(2-4-13)7-15-14-9-17(26)16(25)8-12(14)5-6-23-15/h1-4,8-9,15,18-29H,5-7,10H2/t15?,18-,19+,20-,21-,22+/m1/s1
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1.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 7: 1207-1212 (1997)


Article DOI: 10.1016/S0960-894X(97)00194-7
BindingDB Entry DOI: 10.7270/Q2CJ8F0Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50291683
PNG
(1-(3,4-Dihydroxy-benzyl)-2-methyl-1,2,3,4-tetrahyd...)
Show SMILES CN1CCc2cc(O)c(O)cc2C1Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C17H19NO4/c1-18-5-4-11-8-16(21)17(22)9-12(11)13(18)6-10-2-3-14(19)15(20)7-10/h2-3,7-9,13,19-22H,4-6H2,1H3
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1.90E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency was measured by the displacement of [3H]spiperone binding to human D2 dopaminergic receptor


Bioorg Med Chem Lett 7: 1207-1212 (1997)


Article DOI: 10.1016/S0960-894X(97)00194-7
BindingDB Entry DOI: 10.7270/Q2CJ8F0Z
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50007296
PNG
(CHEMBL3238246)
Show SMILES CC(C)(C)CC[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1cc(Cl)cc(Cl)c1)c1ccc(cc1)C(=O)NCc1nn[nH]n1 |r,wU:6.5,15.19,wD:12.13,c:10,(14.39,-29.64,;15.92,-29.51,;16.8,-30.77,;15.33,-30.92,;16.51,-28.08,;15.58,-26.85,;16.18,-25.43,;15.24,-24.21,;15.69,-22.73,;17.14,-22.22,;14.42,-21.86,;13.2,-22.79,;13.71,-24.25,;12.17,-24.12,;11.29,-25.39,;11.95,-26.78,;13.48,-26.9,;14.36,-25.64,;11.08,-28.04,;9.54,-28.18,;11.96,-29.31,;10.19,-29.31,;14.39,-20.32,;15.7,-19.52,;15.67,-17.98,;16.98,-17.18,;14.32,-17.24,;13,-18.03,;11.65,-17.3,;13.04,-19.57,;17.71,-25.32,;18.39,-23.94,;19.92,-23.82,;20.79,-25.1,;20.12,-26.48,;18.58,-26.59,;22.32,-24.98,;23.19,-26.25,;22.99,-23.59,;24.53,-23.47,;25.2,-22.08,;26.72,-21.81,;26.92,-20.29,;25.53,-19.61,;24.47,-20.73,)|
Show InChI InChI=1S/C34H43Cl2N7O2/c1-32(2,3)14-13-27(21-7-9-22(10-8-21)30(44)37-20-28-39-41-42-40-28)43-31(45)29(23-17-25(35)19-26(36)18-23)38-34(43)15-11-24(12-16-34)33(4,5)6/h7-10,17-19,24,27H,11-16,20H2,1-6H3,(H,37,44)(H,39,40,41,42)/t24-,27-,34-/m1/s1
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PubMed
2.43E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to adenosine A3 receptor (unknown origin) by agonist displacement assay


J Med Chem 57: 2601-10 (2014)


Article DOI: 10.1021/jm401858f
BindingDB Entry DOI: 10.7270/Q20V8F9P
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50027331
PNG
(1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroisoquino...)
Show SMILES Oc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1O
Show InChI InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2
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2.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency was measured by the displacement of [3H]-spiperone binding to human D4 dopaminergic receptor


Bioorg Med Chem Lett 7: 1207-1212 (1997)


Article DOI: 10.1016/S0960-894X(97)00194-7
BindingDB Entry DOI: 10.7270/Q2CJ8F0Z
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50242856
PNG
((1R)-1-(4-hydroxybenzyl)-1,2,3,4-tetrahydroisoquin...)
Show SMILES Oc1ccc(C[C@H]2NCCc3cc(O)c(O)cc23)cc1 |r|
Show InChI InChI=1S/C16H17NO3/c18-12-3-1-10(2-4-12)7-14-13-9-16(20)15(19)8-11(13)5-6-17-14/h1-4,8-9,14,17-20H,5-7H2/t14-/m1/s1
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3.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency was measured by the displacement of [3H]-spiperone binding to human D4 dopaminergic receptor


Bioorg Med Chem Lett 7: 1207-1212 (1997)


Article DOI: 10.1016/S0960-894X(97)00194-7
BindingDB Entry DOI: 10.7270/Q2CJ8F0Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50027331
PNG
(1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroisoquino...)
Show SMILES Oc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1O
Show InChI InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2
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3.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency was measured by the displacement of [3H]spiperone binding to human D2 dopaminergic receptor


Bioorg Med Chem Lett 7: 1207-1212 (1997)


Article DOI: 10.1016/S0960-894X(97)00194-7
BindingDB Entry DOI: 10.7270/Q2CJ8F0Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50242856
PNG
((1R)-1-(4-hydroxybenzyl)-1,2,3,4-tetrahydroisoquin...)
Show SMILES Oc1ccc(C[C@H]2NCCc3cc(O)c(O)cc23)cc1 |r|
Show InChI InChI=1S/C16H17NO3/c18-12-3-1-10(2-4-12)7-14-13-9-16(20)15(19)8-11(13)5-6-17-14/h1-4,8-9,14,17-20H,5-7H2/t14-/m1/s1
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3.90E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency was measured by the displacement of [3H]spiperone binding to human D2 dopaminergic receptor


Bioorg Med Chem Lett 7: 1207-1212 (1997)


Article DOI: 10.1016/S0960-894X(97)00194-7
BindingDB Entry DOI: 10.7270/Q2CJ8F0Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50291684
PNG
(1-Methyl-1,2,3,4-tetrahydro-isoquinoline-6,7-diol ...)
Show SMILES CC1NCCc2cc(O)c(O)cc12
Show InChI InChI=1S/C10H13NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-6,11-13H,2-3H2,1H3
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5.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency was measured by the displacement of [3H]spiperone binding to human D2 dopaminergic receptor


Bioorg Med Chem Lett 7: 1207-1212 (1997)


Article DOI: 10.1016/S0960-894X(97)00194-7
BindingDB Entry DOI: 10.7270/Q2CJ8F0Z
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50291684
PNG
(1-Methyl-1,2,3,4-tetrahydro-isoquinoline-6,7-diol ...)
Show SMILES CC1NCCc2cc(O)c(O)cc12
Show InChI InChI=1S/C10H13NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-6,11-13H,2-3H2,1H3
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6.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency was measured by the displacement of [3H]-spiperone binding to human D4 dopaminergic receptor


Bioorg Med Chem Lett 7: 1207-1212 (1997)


Article DOI: 10.1016/S0960-894X(97)00194-7
BindingDB Entry DOI: 10.7270/Q2CJ8F0Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50291681
PNG
(2,3-Dihydro-1H-indol-5-ol | CHEMBL19331)
Show SMILES Oc1ccc2NCCc2c1
Show InChI InChI=1S/C8H9NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-2,5,9-10H,3-4H2
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9.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency was measured by the displacement of [3H]spiperone binding to human D2 dopaminergic receptor


Bioorg Med Chem Lett 7: 1207-1212 (1997)


Article DOI: 10.1016/S0960-894X(97)00194-7
BindingDB Entry DOI: 10.7270/Q2CJ8F0Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50450614
PNG
(CHEMBL2303762)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(CC3NCCc4cc(O)c(O)cc34)cc2)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C22H27NO8/c24-10-18-19(27)20(28)21(29)22(31-18)30-13-3-1-11(2-4-13)7-15-14-9-17(26)16(25)8-12(14)5-6-23-15/h1-4,8-9,15,18-29H,5-7,10H2/t15?,18-,19+,20-,21-,22+/m1/s1
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1.14E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency was measured by the displacement of [3H]-spiperone binding to human D4 dopaminergic receptor


Bioorg Med Chem Lett 7: 1207-1212 (1997)


Article DOI: 10.1016/S0960-894X(97)00194-7
BindingDB Entry DOI: 10.7270/Q2CJ8F0Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM29135
PNG
(CHEMBL11608 | cid_5610 | p-Tyramine | tyramine)
Show SMILES NCCc1ccc(O)cc1
Show InChI InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2
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>1.70E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency was measured by the displacement of [3H]spiperone binding to human D2 dopaminergic receptor


Bioorg Med Chem Lett 7: 1207-1212 (1997)


Article DOI: 10.1016/S0960-894X(97)00194-7
BindingDB Entry DOI: 10.7270/Q2CJ8F0Z
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM29135
PNG
(CHEMBL11608 | cid_5610 | p-Tyramine | tyramine)
Show SMILES NCCc1ccc(O)cc1
Show InChI InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2
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>3.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency was measured by the displacement of [3H]-spiperone binding to human D4 dopaminergic receptor


Bioorg Med Chem Lett 7: 1207-1212 (1997)


Article DOI: 10.1016/S0960-894X(97)00194-7
BindingDB Entry DOI: 10.7270/Q2CJ8F0Z
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50007219
PNG
(CHEMBL3238214)
Show SMILES CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(C(=O)N2[C@H](CCC(F)(F)F)c1ccc(cc1)C(=O)NCc1nn[nH]n1)c1cc(Cl)cc(Cl)c1 |r,wU:4.3,15.17,wD:7.6,c:11,(50.24,-37.05,;51.42,-38.04,;49.98,-38.57,;51.16,-39.56,;52.86,-37.5,;53.12,-35.99,;54.57,-35.46,;55.76,-36.44,;55.5,-37.96,;54.05,-38.49,;56.17,-34.96,;57.72,-34.9,;58.25,-36.35,;59.73,-36.77,;57.04,-37.3,;57.09,-38.84,;55.77,-39.62,;55.79,-41.16,;54.46,-41.95,;54.48,-43.49,;53.12,-41.19,;53.12,-42.7,;58.42,-39.62,;58.4,-41.17,;59.72,-41.95,;61.07,-41.2,;61.09,-39.66,;59.76,-38.88,;62.39,-41.99,;62.37,-43.53,;63.73,-41.24,;65.05,-42.02,;66.4,-41.27,;67.79,-41.9,;68.84,-40.77,;68.08,-39.43,;66.57,-39.73,;58.49,-33.57,;57.73,-32.24,;58.51,-30.91,;57.74,-29.57,;60.05,-30.91,;60.81,-32.25,;62.35,-32.26,;60.04,-33.59,)|
Show InChI InChI=1S/C31H34Cl2F3N7O2/c1-29(2,3)21-8-11-30(12-9-21)38-26(20-14-22(32)16-23(33)15-20)28(45)43(30)24(10-13-31(34,35)36)18-4-6-19(7-5-18)27(44)37-17-25-39-41-42-40-25/h4-7,14-16,21,24H,8-13,17H2,1-3H3,(H,37,44)(H,39,40,41,42)/t21-,24-,30-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon from recombinant human GCGR expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 57: 2601-10 (2014)


Article DOI: 10.1021/jm401858f
BindingDB Entry DOI: 10.7270/Q20V8F9P
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50007389
PNG
(CHEMBL3237900)
Show SMILES C[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1cc(F)cc(Cl)c1)c1ccc(cc1)C(=O)NCCC(O)=O |r,wU:10.14,1.0,wD:7.8,c:5,(20.39,-28.33,;21.71,-27.55,;21.66,-26.01,;22.87,-25.06,;24.35,-25.48,;22.34,-23.62,;20.79,-23.68,;20.38,-25.15,;19.19,-24.17,;17.74,-24.7,;17.48,-26.22,;18.67,-27.2,;20.12,-26.67,;16.04,-26.75,;14.86,-25.76,;14.6,-27.28,;15.78,-28.27,;23.11,-22.29,;24.66,-22.3,;25.43,-20.97,;26.97,-20.98,;24.67,-19.63,;23.13,-19.62,;22.36,-18.28,;22.35,-20.95,;23.04,-28.33,;23.01,-29.88,;24.34,-30.66,;25.69,-29.91,;25.71,-28.37,;24.38,-27.59,;27.01,-30.7,;26.99,-32.24,;28.35,-29.95,;29.67,-30.73,;31.02,-29.98,;32.34,-30.76,;33.68,-30,;32.32,-32.3,)|
Show InChI InChI=1S/C30H35ClFN3O4/c1-18(19-5-7-20(8-6-19)27(38)33-14-11-25(36)37)35-28(39)26(21-15-23(31)17-24(32)16-21)34-30(35)12-9-22(10-13-30)29(2,3)4/h5-8,15-18,22H,9-14H2,1-4H3,(H,33,38)(H,36,37)/t18-,22-,30-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon from recombinant human GCGR expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 57: 2601-10 (2014)


Article DOI: 10.1021/jm401858f
BindingDB Entry DOI: 10.7270/Q20V8F9P
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50007230
PNG
(CHEMBL3238220)
Show SMILES CC(C)(C)CC[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(=O)NCc1nn[nH]n1 |r,wU:15.19,6.5,wD:12.13,c:10,(32.97,-30.73,;32.95,-29.19,;31.61,-28.44,;31.61,-29.95,;34.28,-28.41,;34.26,-26.87,;35.58,-26.08,;35.53,-24.55,;36.74,-23.6,;38.22,-24.01,;36.21,-22.15,;34.66,-22.21,;34.25,-23.69,;33.06,-22.7,;31.61,-23.23,;31.35,-24.75,;32.54,-25.74,;33.99,-25.2,;29.91,-25.28,;28.73,-24.3,;28.46,-25.82,;29.65,-26.8,;36.98,-20.82,;38.53,-20.83,;39.3,-19.5,;38.54,-18.16,;37,-18.15,;36.22,-19.48,;39.32,-16.83,;40.86,-16.84,;38.56,-15.49,;40.08,-15.48,;36.91,-26.87,;36.88,-28.41,;38.21,-29.2,;39.56,-28.45,;39.58,-26.91,;38.25,-26.12,;40.88,-29.24,;40.86,-30.78,;42.22,-28.48,;43.54,-29.27,;44.89,-28.51,;46.28,-29.15,;47.33,-28.02,;46.57,-26.68,;45.06,-26.98,)|
Show InChI InChI=1S/C35H44F3N7O2/c1-32(2,3)18-17-27(22-7-9-24(10-8-22)30(46)39-21-28-41-43-44-42-28)45-31(47)29(23-11-13-26(14-12-23)35(36,37)38)40-34(45)19-15-25(16-20-34)33(4,5)6/h7-14,25,27H,15-21H2,1-6H3,(H,39,46)(H,41,42,43,44)/t25-,27-,34-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon from recombinant human GCGR expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 57: 2601-10 (2014)


Article DOI: 10.1021/jm401858f
BindingDB Entry DOI: 10.7270/Q20V8F9P
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50007224
PNG
(CHEMBL3238216)
Show SMILES CC(C)(C)CC[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1cc(F)cc(Cl)c1)c1ccc(cc1)C(=O)NCc1nn[nH]n1 |r,wU:15.19,6.5,wD:12.13,c:10,(7.31,-14.38,;7.3,-12.84,;5.95,-12.09,;5.96,-13.59,;8.62,-12.05,;8.6,-10.51,;9.93,-9.73,;9.87,-8.19,;11.08,-7.24,;12.56,-7.66,;10.55,-5.79,;9.01,-5.85,;8.59,-7.33,;7.4,-6.35,;5.96,-6.88,;5.7,-8.4,;6.88,-9.38,;8.33,-8.85,;4.26,-8.93,;3.07,-7.94,;2.81,-9.46,;3.99,-10.45,;11.33,-4.46,;12.87,-4.48,;13.64,-3.15,;15.18,-3.15,;12.88,-1.8,;11.34,-1.8,;10.57,-.46,;10.56,-3.13,;11.25,-10.51,;11.23,-12.06,;12.55,-12.84,;13.9,-12.09,;13.92,-10.55,;12.6,-9.77,;15.22,-12.88,;15.2,-14.42,;16.56,-12.13,;17.89,-12.91,;19.23,-12.16,;20.63,-12.8,;21.67,-11.66,;20.91,-10.32,;19.4,-10.62,)|
Show InChI InChI=1S/C34H43ClFN7O2/c1-32(2,3)14-13-27(21-7-9-22(10-8-21)30(44)37-20-28-39-41-42-40-28)43-31(45)29(23-17-25(35)19-26(36)18-23)38-34(43)15-11-24(12-16-34)33(4,5)6/h7-10,17-19,24,27H,11-16,20H2,1-6H3,(H,37,44)(H,39,40,41,42)/t24-,27-,34-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon from recombinant human GCGR expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 57: 2601-10 (2014)


Article DOI: 10.1021/jm401858f
BindingDB Entry DOI: 10.7270/Q20V8F9P
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50007233
PNG
(CHEMBL3238223)
Show SMILES CC(C)(C)CC[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C(=O)NCc1nn[nH]n1 |r,wU:15.19,6.5,wD:12.13,c:10,(29.88,-44.48,;29.86,-42.94,;28.52,-42.19,;28.53,-43.7,;31.19,-42.16,;31.17,-40.62,;32.49,-39.83,;32.44,-38.3,;33.65,-37.35,;35.13,-37.76,;33.12,-35.9,;31.58,-35.96,;31.16,-37.44,;29.97,-36.45,;28.53,-36.98,;28.26,-38.5,;29.45,-39.49,;30.9,-38.95,;26.83,-39.03,;25.64,-38.05,;25.38,-39.57,;26.56,-40.55,;33.9,-34.57,;33.13,-33.23,;33.91,-31.9,;35.45,-31.91,;36.21,-33.25,;35.44,-34.58,;37.75,-33.26,;38.51,-34.6,;38.53,-31.93,;39.29,-33.26,;33.82,-40.62,;33.8,-42.16,;35.12,-42.95,;36.47,-42.2,;36.49,-40.66,;35.16,-39.87,;37.79,-42.99,;37.77,-44.53,;39.13,-42.23,;40.46,-43.02,;41.8,-42.26,;43.2,-42.9,;44.24,-41.77,;43.48,-40.43,;41.97,-40.73,)|
Show InChI InChI=1S/C35H44F3N7O2/c1-32(2,3)17-16-27(22-10-12-23(13-11-22)30(46)39-21-28-41-43-44-42-28)45-31(47)29(24-8-7-9-26(20-24)35(36,37)38)40-34(45)18-14-25(15-19-34)33(4,5)6/h7-13,20,25,27H,14-19,21H2,1-6H3,(H,39,46)(H,41,42,43,44)/t25-,27-,34-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon from recombinant human GCGR expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 57: 2601-10 (2014)


Article DOI: 10.1021/jm401858f
BindingDB Entry DOI: 10.7270/Q20V8F9P
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50007231
PNG
(CHEMBL3238221)
Show SMILES CC(C)(C)CC[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1ccc(F)cc1)c1ccc(cc1)C(=O)NCc1nn[nH]n1 |r,wU:15.19,6.5,wD:12.13,c:10,(52.44,-30.45,;52.42,-28.91,;51.08,-28.16,;51.08,-29.67,;53.74,-28.13,;53.72,-26.59,;55.05,-25.8,;54.99,-24.27,;56.21,-23.32,;57.68,-23.73,;55.67,-21.87,;54.13,-21.93,;53.71,-23.41,;52.53,-22.42,;51.08,-22.95,;50.82,-24.47,;52,-25.46,;53.45,-24.92,;49.38,-25,;48.19,-24.02,;47.93,-25.54,;49.12,-26.52,;56.45,-20.54,;57.99,-20.55,;58.77,-19.22,;58.01,-17.88,;58.78,-16.55,;56.46,-17.87,;55.69,-19.2,;56.37,-26.59,;56.35,-28.13,;57.68,-28.92,;59.02,-28.17,;59.04,-26.63,;57.72,-25.84,;60.35,-28.96,;60.33,-30.5,;61.69,-28.2,;63.01,-28.99,;64.35,-28.23,;65.75,-28.87,;66.79,-27.74,;66.04,-26.4,;64.53,-26.7,)|
Show InChI InChI=1S/C34H44FN7O2/c1-32(2,3)18-17-27(22-7-9-24(10-8-22)30(43)36-21-28-38-40-41-39-28)42-31(44)29(23-11-13-26(35)14-12-23)37-34(42)19-15-25(16-20-34)33(4,5)6/h7-14,25,27H,15-21H2,1-6H3,(H,36,43)(H,38,39,40,41)/t25-,27-,34-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon from recombinant human GCGR expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 57: 2601-10 (2014)


Article DOI: 10.1021/jm401858f
BindingDB Entry DOI: 10.7270/Q20V8F9P
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50007232
PNG
(CHEMBL3238222)
Show SMILES CC(C)(C)CC[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1ccc(F)c(F)c1)c1ccc(cc1)C(=O)NCc1nn[nH]n1 |r,wU:15.19,6.5,wD:12.13,c:10,(5.5,-43.18,;5.48,-41.64,;4.14,-40.89,;4.15,-42.4,;6.81,-40.86,;6.79,-39.32,;8.11,-38.53,;8.06,-37,;9.27,-36.05,;10.75,-36.46,;8.74,-34.6,;7.19,-34.66,;6.78,-36.14,;5.59,-35.15,;4.14,-35.68,;3.88,-37.2,;5.07,-38.19,;6.52,-37.65,;2.44,-37.73,;1.26,-36.75,;1,-38.27,;2.18,-39.25,;9.51,-33.27,;8.75,-31.93,;9.53,-30.6,;11.07,-30.61,;11.85,-29.28,;11.83,-31.95,;13.37,-31.96,;11.06,-33.28,;9.44,-39.32,;9.42,-40.86,;10.74,-41.65,;12.09,-40.9,;12.11,-39.36,;10.78,-38.57,;13.41,-41.69,;13.39,-43.23,;14.75,-40.93,;16.08,-41.72,;17.42,-40.96,;18.81,-41.6,;19.86,-40.47,;19.1,-39.13,;17.59,-39.43,)|
Show InChI InChI=1S/C34H43F2N7O2/c1-32(2,3)16-15-27(21-7-9-22(10-8-21)30(44)37-20-28-39-41-42-40-28)43-31(45)29(23-11-12-25(35)26(36)19-23)38-34(43)17-13-24(14-18-34)33(4,5)6/h7-12,19,24,27H,13-18,20H2,1-6H3,(H,37,44)(H,39,40,41,42)/t24-,27-,34-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon from recombinant human GCGR expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 57: 2601-10 (2014)


Article DOI: 10.1021/jm401858f
BindingDB Entry DOI: 10.7270/Q20V8F9P
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50007226
PNG
(CHEMBL3238218)
Show SMILES CC(C)(C)CC[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1cccc(Cl)c1)c1ccc(cc1)C(=O)NCc1nn[nH]n1 |r,wU:15.19,6.5,wD:12.13,c:10,(54.79,-14.62,;54.77,-13.08,;53.43,-12.33,;53.44,-13.84,;56.1,-12.29,;56.08,-10.75,;57.4,-9.97,;57.35,-8.43,;58.56,-7.48,;60.04,-7.9,;58.03,-6.03,;56.49,-6.09,;56.07,-7.57,;54.88,-6.59,;53.44,-7.12,;53.17,-8.64,;54.36,-9.62,;55.81,-9.09,;51.74,-9.17,;50.55,-8.18,;50.29,-9.7,;51.47,-10.69,;58.81,-4.7,;60.35,-4.72,;61.12,-3.39,;60.36,-2.04,;58.82,-2.04,;58.05,-.7,;58.04,-3.37,;58.73,-10.75,;58.71,-12.3,;60.03,-13.08,;61.38,-12.33,;61.4,-10.79,;60.07,-10.01,;62.7,-13.12,;62.68,-14.66,;64.04,-12.37,;65.37,-13.15,;66.71,-12.4,;68.11,-13.04,;69.15,-11.9,;68.39,-10.56,;66.88,-10.87,)|
Show InChI InChI=1S/C34H44ClN7O2/c1-32(2,3)17-16-27(22-10-12-23(13-11-22)30(43)36-21-28-38-40-41-39-28)42-31(44)29(24-8-7-9-26(35)20-24)37-34(42)18-14-25(15-19-34)33(4,5)6/h7-13,20,25,27H,14-19,21H2,1-6H3,(H,36,43)(H,38,39,40,41)/t25-,27-,34-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon from recombinant human GCGR expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 57: 2601-10 (2014)


Article DOI: 10.1021/jm401858f
BindingDB Entry DOI: 10.7270/Q20V8F9P
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50007237
PNG
(CHEMBL3238224)
Show SMILES COc1cccc(c1)C1=N[C@@]2(CC[C@@H](CC2)C(C)(C)C)N([C@H](CCC(C)(C)C)c2ccc(cc2)C(=O)NCc2nn[nH]n2)C1=O |r,wU:13.17,21.23,wD:10.11,t:9,(60.9,-33.41,;60.14,-32.07,;58.6,-32.06,;57.83,-30.72,;56.29,-30.71,;55.52,-32.04,;56.28,-33.38,;57.82,-33.39,;55.5,-34.71,;53.96,-34.77,;53.54,-36.25,;52.36,-35.26,;50.91,-35.79,;50.65,-37.31,;51.83,-38.3,;53.28,-37.76,;49.21,-37.84,;48.02,-36.86,;47.76,-38.38,;48.95,-39.36,;54.82,-37.11,;54.88,-38.64,;53.55,-39.43,;53.57,-40.97,;52.25,-41.75,;52.27,-43.29,;50.9,-41,;50.91,-42.51,;56.2,-39.43,;56.18,-40.97,;57.51,-41.76,;58.85,-41.01,;58.87,-39.47,;57.55,-38.68,;60.18,-41.8,;60.15,-43.34,;61.51,-41.04,;62.84,-41.83,;64.18,-41.07,;65.58,-41.71,;66.62,-40.58,;65.87,-39.24,;64.36,-39.54,;56.03,-36.16,;57.51,-36.57,)|
Show InChI InChI=1S/C35H47N7O3/c1-33(2,3)18-17-28(23-11-13-24(14-12-23)31(43)36-22-29-38-40-41-39-29)42-32(44)30(25-9-8-10-27(21-25)45-7)37-35(42)19-15-26(16-20-35)34(4,5)6/h8-14,21,26,28H,15-20,22H2,1-7H3,(H,36,43)(H,38,39,40,41)/t26-,28-,35-/m1/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 recombinant human GCGR expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 57: 2601-10 (2014)


Article DOI: 10.1021/jm401858f
BindingDB Entry DOI: 10.7270/Q20V8F9P
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50007215
PNG
(CHEMBL3237927)
Show SMILES CC(C)C[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1cc(Cl)cc(Cl)c1)c1ccc(cc1)C(=O)NCc1nn[nH]n1 |r,wU:13.17,4.3,wD:10.11,c:8,(6.83,-40.7,;8.15,-39.91,;9.5,-40.66,;8.13,-38.37,;9.46,-37.59,;9.4,-36.05,;10.62,-35.1,;12.09,-35.51,;10.08,-33.65,;8.54,-33.71,;8.12,-35.19,;6.94,-34.2,;5.49,-34.74,;5.23,-36.25,;6.41,-37.24,;7.86,-36.71,;3.79,-36.79,;2.6,-35.8,;2.34,-37.32,;3.53,-38.3,;10.86,-32.32,;10.1,-30.99,;10.87,-29.66,;10.11,-28.32,;12.42,-29.66,;13.18,-31,;14.72,-31.01,;12.4,-32.33,;10.78,-38.37,;10.76,-39.92,;12.09,-40.7,;13.43,-39.95,;13.45,-38.41,;12.13,-37.62,;14.76,-40.74,;14.74,-42.28,;16.1,-39.99,;17.42,-40.77,;18.76,-40.02,;20.16,-40.65,;21.2,-39.52,;20.45,-38.18,;18.94,-38.48,)|
Show InChI InChI=1S/C32H39Cl2N7O2/c1-19(2)14-26(20-6-8-21(9-7-20)29(42)35-18-27-37-39-40-38-27)41-30(43)28(22-15-24(33)17-25(34)16-22)36-32(41)12-10-23(11-13-32)31(3,4)5/h6-9,15-17,19,23,26H,10-14,18H2,1-5H3,(H,35,42)(H,37,38,39,40)/t23-,26-,32-/m1/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 recombinant human GCGR expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 57: 2601-10 (2014)


Article DOI: 10.1021/jm401858f
BindingDB Entry DOI: 10.7270/Q20V8F9P
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50007245
PNG
(CHEMBL3238234)
Show SMILES CC(C)(C)CC[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1cc(Cl)cc(Cl)c1)c1ccc(cc1)C(=O)NCCC(O)=O |r,wU:6.5,15.19,wD:12.13,c:10,(3.27,-43.71,;3.25,-42.17,;1.91,-41.41,;1.91,-42.92,;4.58,-41.38,;4.56,-39.84,;5.88,-39.06,;5.83,-37.52,;7.04,-36.57,;8.52,-36.98,;6.51,-35.12,;4.96,-35.18,;4.55,-36.66,;3.36,-35.67,;1.91,-36.21,;1.65,-37.72,;2.84,-38.71,;4.28,-38.18,;.31,-38.48,;-1.02,-37.71,;.3,-40.02,;-1.03,-39.24,;7.28,-33.79,;6.52,-32.46,;7.3,-31.13,;6.53,-29.79,;8.84,-31.13,;9.6,-32.47,;11.14,-32.48,;8.83,-33.8,;7.21,-39.84,;7.18,-41.39,;8.51,-42.17,;9.86,-41.42,;9.88,-39.88,;8.55,-39.1,;11.18,-42.21,;11.16,-43.75,;12.52,-41.46,;13.84,-42.24,;13.83,-43.78,;15.15,-44.57,;15.14,-46.1,;16.5,-43.81,)|
Show InChI InChI=1S/C35H45Cl2N3O4/c1-33(2,3)15-13-28(22-7-9-23(10-8-22)31(43)38-18-14-29(41)42)40-32(44)30(24-19-26(36)21-27(37)20-24)39-35(40)16-11-25(12-17-35)34(4,5)6/h7-10,19-21,25,28H,11-18H2,1-6H3,(H,38,43)(H,41,42)/t25-,28-,35-/m1/s1
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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 recombinant human GCGR expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 57: 2601-10 (2014)


Article DOI: 10.1021/jm401858f
BindingDB Entry DOI: 10.7270/Q20V8F9P
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50007223
PNG
(CHEMBL3238215)
Show SMILES CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(C(=O)N2[C@H](CCC1(C)CC1)c1ccc(cc1)C(=O)NCc1nn[nH]n1)c1cc(Cl)cc(Cl)c1 |r,wU:4.3,15.17,wD:7.6,c:11,(1.56,-50.44,;2.75,-51.42,;1.3,-51.96,;2.49,-52.94,;4.19,-50.89,;4.45,-49.37,;5.9,-48.84,;7.08,-49.83,;6.82,-51.35,;5.37,-51.88,;7.5,-48.35,;9.04,-48.29,;9.57,-49.74,;11.05,-50.15,;8.36,-50.69,;8.42,-52.22,;7.09,-53.01,;7.11,-54.55,;5.79,-55.33,;4.44,-54.58,;6.55,-56.66,;5.02,-56.65,;9.74,-53.01,;9.72,-54.55,;11.04,-55.34,;12.39,-54.59,;12.41,-53.05,;11.09,-52.26,;13.72,-55.38,;13.69,-56.92,;15.05,-54.62,;16.38,-55.41,;17.72,-54.65,;19.12,-55.29,;20.16,-54.16,;19.41,-52.82,;17.9,-53.12,;9.82,-46.96,;9.06,-45.62,;9.83,-44.29,;9.07,-42.96,;11.37,-44.3,;12.14,-45.64,;13.68,-45.65,;11.36,-46.97,)|
Show InChI InChI=1S/C34H41Cl2N7O2/c1-32(2,3)24-9-13-34(14-10-24)38-29(23-17-25(35)19-26(36)18-23)31(45)43(34)27(11-12-33(4)15-16-33)21-5-7-22(8-6-21)30(44)37-20-28-39-41-42-40-28/h5-8,17-19,24,27H,9-16,20H2,1-4H3,(H,37,44)(H,39,40,41,42)/t24-,27-,34-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon from recombinant human GCGR expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 57: 2601-10 (2014)


Article DOI: 10.1021/jm401858f
BindingDB Entry DOI: 10.7270/Q20V8F9P
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50007228
PNG
(CHEMBL3238219)
Show SMILES CC(C)(C)CC[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1cccc(F)c1)c1ccc(cc1)C(=O)NCc1nn[nH]n1 |r,wU:15.19,6.5,wD:12.13,c:10,(7.91,-30.88,;7.89,-29.34,;6.55,-28.59,;6.56,-30.1,;9.22,-28.56,;9.2,-27.02,;10.52,-26.23,;10.47,-24.7,;11.68,-23.74,;13.16,-24.16,;11.15,-22.3,;9.6,-22.36,;9.19,-23.83,;8,-22.85,;6.56,-23.38,;6.29,-24.9,;7.48,-25.88,;8.93,-25.35,;4.85,-25.43,;3.67,-24.45,;3.41,-25.96,;4.59,-26.95,;11.92,-20.97,;13.47,-20.98,;14.24,-19.65,;13.48,-18.31,;11.94,-18.3,;11.17,-16.96,;11.16,-19.63,;11.85,-27.02,;11.83,-28.56,;13.15,-29.35,;14.5,-28.59,;14.52,-27.06,;13.19,-26.27,;15.82,-29.39,;15.8,-30.92,;17.16,-28.63,;18.49,-29.42,;19.83,-28.66,;21.22,-29.3,;22.27,-28.17,;21.51,-26.82,;20,-27.13,)|
Show InChI InChI=1S/C34H44FN7O2/c1-32(2,3)17-16-27(22-10-12-23(13-11-22)30(43)36-21-28-38-40-41-39-28)42-31(44)29(24-8-7-9-26(35)20-24)37-34(42)18-14-25(15-19-34)33(4,5)6/h7-13,20,25,27H,14-19,21H2,1-6H3,(H,36,43)(H,38,39,40,41)/t25-,27-,34-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon from recombinant human GCGR expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 57: 2601-10 (2014)


Article DOI: 10.1021/jm401858f
BindingDB Entry DOI: 10.7270/Q20V8F9P
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50007240
PNG
(CHEMBL3238228)
Show SMILES CC(C)(C)CC[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1cnccc1C(F)(F)F)c1ccc(cc1)C(=O)NCc1nn[nH]n1 |r,wU:15.19,6.5,wD:12.13,c:10,(5.79,-14.06,;5.77,-12.52,;4.43,-11.77,;4.43,-13.28,;7.1,-11.73,;7.08,-10.19,;8.4,-9.41,;8.35,-7.87,;9.56,-6.92,;11.04,-7.34,;9.03,-5.47,;7.48,-5.53,;7.07,-7.01,;5.88,-6.03,;4.43,-6.56,;4.17,-8.08,;5.36,-9.06,;6.8,-8.53,;2.73,-8.61,;1.55,-7.62,;1.28,-9.14,;2.47,-10.13,;9.8,-4.14,;11.34,-4.16,;12.12,-2.83,;11.36,-1.48,;9.82,-1.48,;9.04,-2.81,;7.5,-2.8,;6.74,-1.47,;6.72,-4.13,;5.96,-2.79,;9.73,-10.19,;9.7,-11.74,;11.03,-12.52,;12.38,-11.77,;12.4,-10.23,;11.07,-9.45,;13.7,-12.56,;13.68,-14.1,;15.04,-11.81,;16.36,-12.59,;17.71,-11.84,;19.1,-12.48,;20.15,-11.34,;19.39,-10,;17.88,-10.31,)|
Show InChI InChI=1S/C34H43F3N8O2/c1-31(2,3)15-13-26(21-7-9-22(10-8-21)29(46)39-20-27-41-43-44-42-27)45-30(47)28(24-19-38-18-14-25(24)34(35,36)37)40-33(45)16-11-23(12-17-33)32(4,5)6/h7-10,14,18-19,23,26H,11-13,15-17,20H2,1-6H3,(H,39,46)(H,41,42,43,44)/t23-,26-,33-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon from recombinant human GCGR expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 57: 2601-10 (2014)


Article DOI: 10.1021/jm401858f
BindingDB Entry DOI: 10.7270/Q20V8F9P
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50007218
PNG
(CHEMBL3237928)
Show SMILES CC(C)CC[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1cc(Cl)cc(Cl)c1)c1ccc(cc1)C(=O)NCc1nn[nH]n1 |r,wU:14.18,5.4,wD:11.12,c:9,(30.64,-43.26,;30.62,-41.72,;29.28,-40.97,;31.95,-40.94,;31.93,-39.4,;33.25,-38.61,;33.2,-37.07,;34.41,-36.12,;35.89,-36.54,;33.88,-34.68,;32.34,-34.74,;31.92,-36.21,;30.73,-35.23,;29.29,-35.76,;29.02,-37.28,;30.21,-38.26,;31.66,-37.73,;27.59,-37.81,;26.4,-36.82,;26.14,-38.34,;27.32,-39.33,;34.66,-33.35,;33.89,-32.01,;34.67,-30.68,;33.9,-29.34,;36.21,-30.69,;36.97,-32.03,;38.51,-32.04,;36.2,-33.36,;34.58,-39.39,;34.56,-40.94,;35.88,-41.72,;37.23,-40.97,;37.25,-39.43,;35.92,-38.65,;38.55,-41.76,;38.53,-43.3,;39.89,-41.01,;41.22,-41.79,;42.56,-41.04,;43.95,-41.68,;45,-40.54,;44.24,-39.2,;42.73,-39.51,)|
Show InChI InChI=1S/C33H41Cl2N7O2/c1-20(2)6-11-27(21-7-9-22(10-8-21)30(43)36-19-28-38-40-41-39-28)42-31(44)29(23-16-25(34)18-26(35)17-23)37-33(42)14-12-24(13-15-33)32(3,4)5/h7-10,16-18,20,24,27H,6,11-15,19H2,1-5H3,(H,36,43)(H,38,39,40,41)/t24-,27-,33-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon from recombinant human GCGR expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 57: 2601-10 (2014)


Article DOI: 10.1021/jm401858f
BindingDB Entry DOI: 10.7270/Q20V8F9P
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50007225
PNG
(CHEMBL3238217)
Show SMILES CC(C)(C)CC[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1cc(F)cc(F)c1)c1ccc(cc1)C(=O)NCc1nn[nH]n1 |r,wU:15.19,6.5,wD:12.13,c:10,(30.08,-13.9,;30.07,-12.36,;28.72,-11.6,;28.73,-13.11,;31.39,-11.57,;31.37,-10.03,;32.7,-9.25,;32.64,-7.71,;33.85,-6.76,;35.33,-7.17,;33.32,-5.31,;31.78,-5.37,;31.36,-6.85,;30.18,-5.86,;28.73,-6.4,;28.47,-7.91,;29.65,-8.9,;31.1,-8.37,;27.03,-8.45,;25.84,-7.46,;25.58,-8.98,;26.77,-9.96,;34.1,-3.98,;33.34,-2.65,;34.11,-1.32,;33.35,.03,;35.65,-1.32,;36.41,-2.66,;37.95,-2.67,;35.64,-3.99,;34.02,-10.03,;34,-11.58,;35.32,-12.36,;36.67,-11.61,;36.69,-10.07,;35.37,-9.29,;37.99,-12.4,;37.97,-13.94,;39.33,-11.65,;40.66,-12.43,;42,-11.68,;43.4,-12.31,;44.44,-11.18,;43.68,-9.84,;42.18,-10.14,)|
Show InChI InChI=1S/C34H43F2N7O2/c1-32(2,3)14-13-27(21-7-9-22(10-8-21)30(44)37-20-28-39-41-42-40-28)43-31(45)29(23-17-25(35)19-26(36)18-23)38-34(43)15-11-24(12-16-34)33(4,5)6/h7-10,17-19,24,27H,11-16,20H2,1-6H3,(H,37,44)(H,39,40,41,42)/t24-,27-,34-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon from recombinant human GCGR expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 57: 2601-10 (2014)


Article DOI: 10.1021/jm401858f
BindingDB Entry DOI: 10.7270/Q20V8F9P
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50007212
PNG
(CHEMBL3237924)
Show SMILES CCCC[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1cc(Cl)cc(Cl)c1)c1ccc(cc1)C(=O)NCc1nn[nH]n1 |r,wU:13.17,4.3,wD:10.11,c:8,(5.36,-28.28,;5.34,-26.74,;6.67,-25.96,;6.65,-24.42,;7.97,-23.63,;7.92,-22.1,;9.13,-21.15,;10.61,-21.56,;8.6,-19.7,;7.05,-19.76,;6.64,-21.24,;5.45,-20.25,;4,-20.78,;3.74,-22.3,;4.93,-23.29,;6.38,-22.75,;2.3,-22.83,;1.12,-21.85,;.86,-23.37,;2.04,-24.35,;9.37,-18.37,;8.61,-17.03,;9.39,-15.7,;8.62,-14.37,;10.93,-15.71,;11.69,-17.05,;13.23,-17.06,;10.92,-18.38,;9.3,-24.42,;9.28,-25.96,;10.6,-26.75,;11.95,-26,;11.97,-24.46,;10.64,-23.67,;13.27,-26.79,;13.25,-28.33,;14.61,-26.03,;15.94,-26.82,;17.28,-26.06,;18.67,-26.7,;19.72,-25.57,;18.96,-24.23,;17.45,-24.53,)|
Show InChI InChI=1S/C32H39Cl2N7O2/c1-5-6-7-26(20-8-10-21(11-9-20)29(42)35-19-27-37-39-40-38-27)41-30(43)28(22-16-24(33)18-25(34)17-22)36-32(41)14-12-23(13-15-32)31(2,3)4/h8-11,16-18,23,26H,5-7,12-15,19H2,1-4H3,(H,35,42)(H,37,38,39,40)/t23-,26-,32-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon from recombinant human GCGR expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 57: 2601-10 (2014)


Article DOI: 10.1021/jm401858f
BindingDB Entry DOI: 10.7270/Q20V8F9P
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50007296
PNG
(CHEMBL3238246)
Show SMILES CC(C)(C)CC[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1cc(Cl)cc(Cl)c1)c1ccc(cc1)C(=O)NCc1nn[nH]n1 |r,wU:6.5,15.19,wD:12.13,c:10,(14.39,-29.64,;15.92,-29.51,;16.8,-30.77,;15.33,-30.92,;16.51,-28.08,;15.58,-26.85,;16.18,-25.43,;15.24,-24.21,;15.69,-22.73,;17.14,-22.22,;14.42,-21.86,;13.2,-22.79,;13.71,-24.25,;12.17,-24.12,;11.29,-25.39,;11.95,-26.78,;13.48,-26.9,;14.36,-25.64,;11.08,-28.04,;9.54,-28.18,;11.96,-29.31,;10.19,-29.31,;14.39,-20.32,;15.7,-19.52,;15.67,-17.98,;16.98,-17.18,;14.32,-17.24,;13,-18.03,;11.65,-17.3,;13.04,-19.57,;17.71,-25.32,;18.39,-23.94,;19.92,-23.82,;20.79,-25.1,;20.12,-26.48,;18.58,-26.59,;22.32,-24.98,;23.19,-26.25,;22.99,-23.59,;24.53,-23.47,;25.2,-22.08,;26.72,-21.81,;26.92,-20.29,;25.53,-19.61,;24.47,-20.73,)|
Show InChI InChI=1S/C34H43Cl2N7O2/c1-32(2,3)14-13-27(21-7-9-22(10-8-21)30(44)37-20-28-39-41-42-40-28)43-31(45)29(23-17-25(35)19-26(36)18-23)38-34(43)15-11-24(12-16-34)33(4,5)6/h7-10,17-19,24,27H,11-16,20H2,1-6H3,(H,37,44)(H,39,40,41,42)/t24-,27-,34-/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon from recombinant human GCGR expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 57: 2601-10 (2014)


Article DOI: 10.1021/jm401858f
BindingDB Entry DOI: 10.7270/Q20V8F9P
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50007214
PNG
(CHEMBL3237925)
Show SMILES CCCCC[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1cc(Cl)cc(Cl)c1)c1ccc(cc1)C(=O)NCc1nn[nH]n1 |r,wU:14.18,5.4,wD:11.12,c:9,(26.77,-29.67,;28.09,-28.88,;28.07,-27.34,;29.4,-26.56,;29.38,-25.02,;30.7,-24.23,;30.65,-22.69,;31.86,-21.74,;33.34,-22.16,;31.33,-20.3,;29.78,-20.36,;29.37,-21.83,;28.18,-20.85,;26.74,-21.38,;26.47,-22.9,;27.66,-23.88,;29.11,-23.35,;25.03,-23.43,;23.85,-22.45,;23.59,-23.96,;24.77,-24.95,;32.1,-18.97,;31.34,-17.63,;32.12,-16.3,;31.35,-14.97,;33.66,-16.31,;34.42,-17.65,;35.96,-17.66,;33.65,-18.98,;32.03,-25.02,;32.01,-26.56,;33.33,-27.35,;34.68,-26.59,;34.7,-25.06,;33.37,-24.27,;36,-27.39,;35.98,-28.92,;37.34,-26.63,;38.67,-27.42,;40.01,-26.66,;41.4,-27.3,;42.45,-26.17,;41.69,-24.82,;40.18,-25.13,)|
Show InChI InChI=1S/C33H41Cl2N7O2/c1-5-6-7-8-27(21-9-11-22(12-10-21)30(43)36-20-28-38-40-41-39-28)42-31(44)29(23-17-25(34)19-26(35)18-23)37-33(42)15-13-24(14-16-33)32(2,3)4/h9-12,17-19,24,27H,5-8,13-16,20H2,1-4H3,(H,36,43)(H,38,39,40,41)/t24-,27-,33-/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon from recombinant human GCGR expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 57: 2601-10 (2014)


Article DOI: 10.1021/jm401858f
BindingDB Entry DOI: 10.7270/Q20V8F9P
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50007238
PNG
(CHEMBL3238225)
Show SMILES COc1ccc(cc1)C1=N[C@@]2(CC[C@@H](CC2)C(C)(C)C)N([C@H](CCC(C)(C)C)c2ccc(cc2)C(=O)NCc2nn[nH]n2)C1=O |r,wU:13.17,21.23,wD:10.11,t:9,(13.4,-44.07,;11.86,-44.06,;11.08,-45.39,;11.84,-46.73,;11.06,-48.06,;9.52,-48.05,;8.76,-46.71,;9.54,-45.38,;8.75,-49.38,;7.2,-49.44,;6.79,-50.92,;5.6,-49.93,;4.15,-50.46,;3.89,-51.98,;5.08,-52.96,;6.52,-52.43,;2.45,-52.51,;1.27,-51.53,;1,-53.04,;2.19,-54.03,;8.07,-51.78,;8.12,-53.31,;6.8,-54.1,;6.82,-55.64,;5.49,-56.42,;5.51,-57.96,;4.15,-55.67,;4.15,-57.18,;9.45,-54.1,;9.42,-55.64,;10.75,-56.43,;12.1,-55.67,;12.12,-54.14,;10.79,-53.35,;13.42,-56.47,;13.4,-58,;14.76,-55.71,;16.08,-56.5,;17.43,-55.74,;18.82,-56.38,;19.86,-55.25,;19.11,-53.9,;17.6,-54.21,;9.28,-50.82,;10.76,-51.24,)|
Show InChI InChI=1S/C35H47N7O3/c1-33(2,3)19-18-28(23-8-10-25(11-9-23)31(43)36-22-29-38-40-41-39-29)42-32(44)30(24-12-14-27(45-7)15-13-24)37-35(42)20-16-26(17-21-35)34(4,5)6/h8-15,26,28H,16-22H2,1-7H3,(H,36,43)(H,38,39,40,41)/t26-,28-,35-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon from recombinant human GCGR expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 57: 2601-10 (2014)


Article DOI: 10.1021/jm401858f
BindingDB Entry DOI: 10.7270/Q20V8F9P
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50007241
PNG
(CHEMBL3238229)
Show SMILES CC(C)[C@H]1CC[C@]2(CC1)N=C(C(=O)N2[C@H](CCC(C)(C)C)c1ccc(cc1)C(=O)NCc1nn[nH]n1)c1cc(Cl)cc(Cl)c1 |r,wU:14.16,3.2,wD:6.5,c:10,(22.68,-7.09,;24,-7.87,;23.99,-9.41,;25.34,-7.11,;25.6,-5.59,;27.05,-5.06,;28.24,-6.05,;27.98,-7.57,;26.53,-8.1,;28.65,-4.57,;30.2,-4.51,;30.73,-5.96,;32.21,-6.37,;29.52,-6.91,;29.57,-8.44,;28.25,-9.23,;28.27,-10.77,;26.94,-11.56,;26.96,-13.1,;25.6,-10.8,;25.6,-12.31,;30.9,-9.23,;30.87,-10.78,;32.2,-11.56,;33.55,-10.81,;33.57,-9.27,;32.24,-8.48,;34.87,-11.6,;34.85,-13.14,;36.21,-10.85,;37.53,-11.63,;38.88,-10.88,;40.27,-11.51,;41.32,-10.38,;40.56,-9.04,;39.05,-9.34,;30.97,-3.18,;30.21,-1.85,;30.99,-.51,;30.22,.83,;32.53,-.52,;33.29,-1.86,;34.83,-1.87,;32.52,-3.19,)|
Show InChI InChI=1S/C33H41Cl2N7O2/c1-20(2)21-10-14-33(15-11-21)37-29(24-16-25(34)18-26(35)17-24)31(44)42(33)27(12-13-32(3,4)5)22-6-8-23(9-7-22)30(43)36-19-28-38-40-41-39-28/h6-9,16-18,20-21,27H,10-15,19H2,1-5H3,(H,36,43)(H,38,39,40,41)/t21-,27-,33-/m1/s1
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n/an/a 31n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon from recombinant human GCGR expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 57: 2601-10 (2014)


Article DOI: 10.1021/jm401858f
BindingDB Entry DOI: 10.7270/Q20V8F9P
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50007243
PNG
(CHEMBL3238231)
Show SMILES C[C@H]1CC[C@]2(CC1)N=C(C(=O)N2[C@H](CCC(C)(C)C)c1ccc(cc1)C(=O)NCc1nn[nH]n1)c1cc(Cl)cc(Cl)c1 |r,wU:12.14,1.0,wD:4.3,c:8,(1.27,-23.79,;2.61,-23.02,;2.87,-21.51,;4.32,-20.98,;5.5,-21.96,;5.24,-23.48,;3.79,-24.01,;5.92,-20.48,;7.46,-20.42,;8,-21.87,;9.47,-22.29,;6.78,-22.82,;6.84,-24.36,;5.51,-25.14,;5.53,-26.68,;4.21,-27.47,;4.23,-29.01,;2.86,-26.71,;2.87,-28.22,;8.16,-25.14,;8.14,-26.69,;9.47,-27.47,;10.81,-26.72,;10.83,-25.18,;9.51,-24.4,;12.14,-27.51,;12.12,-29.05,;13.47,-26.76,;14.8,-27.54,;16.14,-26.79,;17.54,-27.42,;18.58,-26.29,;17.83,-24.95,;16.32,-25.25,;8.24,-19.09,;7.48,-17.76,;8.25,-16.43,;7.49,-15.09,;9.8,-16.43,;10.56,-17.77,;12.1,-17.78,;9.78,-19.11,)|
Show InChI InChI=1S/C31H37Cl2N7O2/c1-19-9-13-31(14-10-19)35-27(22-15-23(32)17-24(33)16-22)29(42)40(31)25(11-12-30(2,3)4)20-5-7-21(8-6-20)28(41)34-18-26-36-38-39-37-26/h5-8,15-17,19,25H,9-14,18H2,1-4H3,(H,34,41)(H,36,37,38,39)/t19-,25-,31-/m1/s1
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n/an/a 36n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon from recombinant human GCGR expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 57: 2601-10 (2014)


Article DOI: 10.1021/jm401858f
BindingDB Entry DOI: 10.7270/Q20V8F9P
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50007239
PNG
(CHEMBL3238226)
Show SMILES CC(C)(C)CC[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1cncc(Cl)c1)c1ccc(cc1)C(=O)NCc1nn[nH]n1 |r,wU:15.19,6.5,wD:12.13,c:10,(30.07,-58.93,;30.05,-57.39,;28.71,-56.63,;28.71,-58.14,;31.38,-56.6,;31.36,-55.06,;32.68,-54.28,;32.63,-52.74,;33.84,-51.79,;35.32,-52.2,;33.31,-50.34,;31.76,-50.4,;31.35,-51.88,;30.16,-50.89,;28.71,-51.43,;28.45,-52.94,;29.64,-53.93,;31.09,-53.4,;27.01,-53.48,;25.83,-52.49,;25.56,-54.01,;26.75,-54.99,;34.08,-49.01,;35.62,-49.02,;36.4,-47.69,;35.64,-46.35,;34.1,-46.35,;33.33,-45.01,;33.32,-47.68,;34.01,-55.06,;33.98,-56.61,;35.31,-57.39,;36.66,-56.64,;36.68,-55.1,;35.35,-54.32,;37.98,-57.43,;37.96,-58.97,;39.32,-56.68,;40.64,-57.46,;41.99,-56.71,;43.38,-57.34,;44.42,-56.21,;43.67,-54.87,;42.16,-55.17,)|
Show InChI InChI=1S/C33H43ClN8O2/c1-31(2,3)14-13-26(21-7-9-22(10-8-21)29(43)36-20-27-38-40-41-39-27)42-30(44)28(23-17-25(34)19-35-18-23)37-33(42)15-11-24(12-16-33)32(4,5)6/h7-10,17-19,24,26H,11-16,20H2,1-6H3,(H,36,43)(H,38,39,40,41)/t24-,26-,33-/m1/s1
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n/an/a 38n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon from recombinant human GCGR expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 57: 2601-10 (2014)


Article DOI: 10.1021/jm401858f
BindingDB Entry DOI: 10.7270/Q20V8F9P
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50007224
PNG
(CHEMBL3238216)
Show SMILES CC(C)(C)CC[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1cc(F)cc(Cl)c1)c1ccc(cc1)C(=O)NCc1nn[nH]n1 |r,wU:15.19,6.5,wD:12.13,c:10,(7.31,-14.38,;7.3,-12.84,;5.95,-12.09,;5.96,-13.59,;8.62,-12.05,;8.6,-10.51,;9.93,-9.73,;9.87,-8.19,;11.08,-7.24,;12.56,-7.66,;10.55,-5.79,;9.01,-5.85,;8.59,-7.33,;7.4,-6.35,;5.96,-6.88,;5.7,-8.4,;6.88,-9.38,;8.33,-8.85,;4.26,-8.93,;3.07,-7.94,;2.81,-9.46,;3.99,-10.45,;11.33,-4.46,;12.87,-4.48,;13.64,-3.15,;15.18,-3.15,;12.88,-1.8,;11.34,-1.8,;10.57,-.46,;10.56,-3.13,;11.25,-10.51,;11.23,-12.06,;12.55,-12.84,;13.9,-12.09,;13.92,-10.55,;12.6,-9.77,;15.22,-12.88,;15.2,-14.42,;16.56,-12.13,;17.89,-12.91,;19.23,-12.16,;20.63,-12.8,;21.67,-11.66,;20.91,-10.32,;19.4,-10.62,)|
Show InChI InChI=1S/C34H43ClFN7O2/c1-32(2,3)14-13-27(21-7-9-22(10-8-21)30(44)37-20-28-39-41-42-40-28)43-31(45)29(23-17-25(35)19-26(36)18-23)38-34(43)15-11-24(12-16-34)33(4,5)6/h7-10,17-19,24,27H,11-16,20H2,1-6H3,(H,37,44)(H,39,40,41,42)/t24-,27-,34-/m1/s1
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n/an/a 42n/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-stimulated cAMP production preincubated for 30 mins follo...


J Med Chem 57: 2601-10 (2014)


Article DOI: 10.1021/jm401858f
BindingDB Entry DOI: 10.7270/Q20V8F9P
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50007242
PNG
(CHEMBL3238230)
Show SMILES CC[C@H]1CC[C@]2(CC1)N=C(C(=O)N2[C@H](CCC(C)(C)C)c1ccc(cc1)C(=O)NCc1nn[nH]n1)c1cc(Cl)cc(Cl)c1 |r,wU:13.15,2.1,wD:5.4,c:9,(48.37,-10.14,;48.38,-8.6,;49.72,-7.84,;49.98,-6.32,;51.43,-5.79,;52.62,-6.77,;52.36,-8.29,;50.91,-8.82,;53.03,-5.29,;54.58,-5.23,;55.11,-6.68,;56.59,-7.1,;53.9,-7.63,;53.95,-9.17,;52.63,-9.95,;52.65,-11.49,;51.32,-12.28,;51.34,-13.82,;49.98,-11.53,;49.98,-13.03,;55.28,-9.95,;55.26,-11.5,;56.58,-12.28,;57.93,-11.53,;57.95,-9.99,;56.62,-9.21,;59.25,-12.32,;59.23,-13.86,;60.59,-11.57,;61.91,-12.35,;63.26,-11.6,;64.65,-12.24,;65.7,-11.1,;64.94,-9.76,;63.43,-10.06,;55.35,-3.9,;54.59,-2.57,;55.37,-1.24,;54.6,.1,;56.91,-1.24,;57.67,-2.59,;59.21,-2.6,;56.9,-3.92,)|
Show InChI InChI=1S/C32H39Cl2N7O2/c1-5-20-10-14-32(15-11-20)36-28(23-16-24(33)18-25(34)17-23)30(43)41(32)26(12-13-31(2,3)4)21-6-8-22(9-7-21)29(42)35-19-27-37-39-40-38-27/h6-9,16-18,20,26H,5,10-15,19H2,1-4H3,(H,35,42)(H,37,38,39,40)/t20-,26-,32-/m1/s1
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n/an/a 44n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon from recombinant human GCGR expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 57: 2601-10 (2014)


Article DOI: 10.1021/jm401858f
BindingDB Entry DOI: 10.7270/Q20V8F9P
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50007417
PNG
(CHEMBL3237905)
Show SMILES C[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1ccc(F)c(Cl)c1)c1ccc(cc1)C(=O)NCCC(O)=O |r,wU:10.14,1.0,wD:7.8,c:5,(59.7,-43.26,;61.02,-42.48,;60.97,-40.94,;62.18,-39.99,;63.65,-40.41,;61.65,-38.54,;60.1,-38.61,;59.69,-40.08,;58.5,-39.1,;57.05,-39.63,;56.79,-41.15,;57.98,-42.13,;59.42,-41.6,;55.35,-41.68,;54.17,-40.69,;53.9,-42.21,;55.09,-43.2,;62.42,-37.21,;63.96,-37.23,;64.74,-35.9,;63.98,-34.56,;64.76,-33.23,;62.43,-34.55,;61.67,-33.21,;61.66,-35.88,;62.34,-43.26,;62.32,-44.81,;63.65,-45.59,;64.99,-44.84,;65.01,-43.3,;63.69,-42.52,;66.32,-45.63,;66.3,-47.17,;67.66,-44.88,;68.98,-45.66,;70.32,-44.91,;71.65,-45.69,;72.99,-44.94,;71.63,-47.23,)|
Show InChI InChI=1S/C30H35ClFN3O4/c1-18(19-5-7-20(8-6-19)27(38)33-16-13-25(36)37)35-28(39)26(21-9-10-24(32)23(31)17-21)34-30(35)14-11-22(12-15-30)29(2,3)4/h5-10,17-18,22H,11-16H2,1-4H3,(H,33,38)(H,36,37)/t18-,22-,30-/m1/s1
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n/an/a 44n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon from recombinant human GCGR expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 57: 2601-10 (2014)


Article DOI: 10.1021/jm401858f
BindingDB Entry DOI: 10.7270/Q20V8F9P
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50007296
PNG
(CHEMBL3238246)
Show SMILES CC(C)(C)CC[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1cc(Cl)cc(Cl)c1)c1ccc(cc1)C(=O)NCc1nn[nH]n1 |r,wU:6.5,15.19,wD:12.13,c:10,(14.39,-29.64,;15.92,-29.51,;16.8,-30.77,;15.33,-30.92,;16.51,-28.08,;15.58,-26.85,;16.18,-25.43,;15.24,-24.21,;15.69,-22.73,;17.14,-22.22,;14.42,-21.86,;13.2,-22.79,;13.71,-24.25,;12.17,-24.12,;11.29,-25.39,;11.95,-26.78,;13.48,-26.9,;14.36,-25.64,;11.08,-28.04,;9.54,-28.18,;11.96,-29.31,;10.19,-29.31,;14.39,-20.32,;15.7,-19.52,;15.67,-17.98,;16.98,-17.18,;14.32,-17.24,;13,-18.03,;11.65,-17.3,;13.04,-19.57,;17.71,-25.32,;18.39,-23.94,;19.92,-23.82,;20.79,-25.1,;20.12,-26.48,;18.58,-26.59,;22.32,-24.98,;23.19,-26.25,;22.99,-23.59,;24.53,-23.47,;25.2,-22.08,;26.72,-21.81,;26.92,-20.29,;25.53,-19.61,;24.47,-20.73,)|
Show InChI InChI=1S/C34H43Cl2N7O2/c1-32(2,3)14-13-27(21-7-9-22(10-8-21)30(44)37-20-28-39-41-42-40-28)43-31(45)29(23-17-25(35)19-26(36)18-23)38-34(43)15-11-24(12-16-34)33(4,5)6/h7-10,17-19,24,27H,11-16,20H2,1-6H3,(H,37,44)(H,39,40,41,42)/t24-,27-,34-/m1/s1
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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 GCGR expressed in CHO cells assessed as inhibition of glucagon-stimulated cAMP production preincubated for 30 mins follo...


J Med Chem 57: 2601-10 (2014)


Article DOI: 10.1021/jm401858f
BindingDB Entry DOI: 10.7270/Q20V8F9P
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50007245
PNG
(CHEMBL3238234)
Show SMILES CC(C)(C)CC[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1cc(Cl)cc(Cl)c1)c1ccc(cc1)C(=O)NCCC(O)=O |r,wU:6.5,15.19,wD:12.13,c:10,(3.27,-43.71,;3.25,-42.17,;1.91,-41.41,;1.91,-42.92,;4.58,-41.38,;4.56,-39.84,;5.88,-39.06,;5.83,-37.52,;7.04,-36.57,;8.52,-36.98,;6.51,-35.12,;4.96,-35.18,;4.55,-36.66,;3.36,-35.67,;1.91,-36.21,;1.65,-37.72,;2.84,-38.71,;4.28,-38.18,;.31,-38.48,;-1.02,-37.71,;.3,-40.02,;-1.03,-39.24,;7.28,-33.79,;6.52,-32.46,;7.3,-31.13,;6.53,-29.79,;8.84,-31.13,;9.6,-32.47,;11.14,-32.48,;8.83,-33.8,;7.21,-39.84,;7.18,-41.39,;8.51,-42.17,;9.86,-41.42,;9.88,-39.88,;8.55,-39.1,;11.18,-42.21,;11.16,-43.75,;12.52,-41.46,;13.84,-42.24,;13.83,-43.78,;15.15,-44.57,;15.14,-46.1,;16.5,-43.81,)|
Show InChI InChI=1S/C35H45Cl2N3O4/c1-33(2,3)15-13-28(22-7-9-23(10-8-22)31(43)38-18-14-29(41)42)40-32(44)30(24-19-26(36)21-27(37)20-24)39-35(40)16-11-25(12-17-35)34(4,5)6/h7-10,19-21,25,28H,11-18H2,1-6H3,(H,38,43)(H,41,42)/t25-,28-,35-/m1/s1
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n/an/a 48n/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-stimulated cAMP production preincubated for 30 mins follo...


J Med Chem 57: 2601-10 (2014)


Article DOI: 10.1021/jm401858f
BindingDB Entry DOI: 10.7270/Q20V8F9P
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50007241
PNG
(CHEMBL3238229)
Show SMILES CC(C)[C@H]1CC[C@]2(CC1)N=C(C(=O)N2[C@H](CCC(C)(C)C)c1ccc(cc1)C(=O)NCc1nn[nH]n1)c1cc(Cl)cc(Cl)c1 |r,wU:14.16,3.2,wD:6.5,c:10,(22.68,-7.09,;24,-7.87,;23.99,-9.41,;25.34,-7.11,;25.6,-5.59,;27.05,-5.06,;28.24,-6.05,;27.98,-7.57,;26.53,-8.1,;28.65,-4.57,;30.2,-4.51,;30.73,-5.96,;32.21,-6.37,;29.52,-6.91,;29.57,-8.44,;28.25,-9.23,;28.27,-10.77,;26.94,-11.56,;26.96,-13.1,;25.6,-10.8,;25.6,-12.31,;30.9,-9.23,;30.87,-10.78,;32.2,-11.56,;33.55,-10.81,;33.57,-9.27,;32.24,-8.48,;34.87,-11.6,;34.85,-13.14,;36.21,-10.85,;37.53,-11.63,;38.88,-10.88,;40.27,-11.51,;41.32,-10.38,;40.56,-9.04,;39.05,-9.34,;30.97,-3.18,;30.21,-1.85,;30.99,-.51,;30.22,.83,;32.53,-.52,;33.29,-1.86,;34.83,-1.87,;32.52,-3.19,)|
Show InChI InChI=1S/C33H41Cl2N7O2/c1-20(2)21-10-14-33(15-11-21)37-29(24-16-25(34)18-26(35)17-24)31(44)42(33)27(12-13-32(3,4)5)22-6-8-23(9-7-22)30(43)36-19-28-38-40-41-39-28/h6-9,16-18,20-21,27H,10-15,19H2,1-5H3,(H,36,43)(H,38,39,40,41)/t21-,27-,33-/m1/s1
PDB
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antibodypedia
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UniChem

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Article
PubMed
n/an/a 52n/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-stimulated cAMP production preincubated for 30 mins follo...


J Med Chem 57: 2601-10 (2014)


Article DOI: 10.1021/jm401858f
BindingDB Entry DOI: 10.7270/Q20V8F9P
More data for this
Ligand-Target Pair
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