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Compile Data Set for Download or QSAR

Found 5154 hits with Last Name = 'guzman' and Initial = 'a'   
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
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220746
PNG
(CHEMBL292189)
Show SMILES Cc1[nH]c(=O)n(CCCN2CCN(CC2)c2ccccc2OCC(F)(F)F)c(=O)c1C
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0.0398n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220747
PNG
(CHEMBL56863)
Show SMILES FC(F)(F)COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3ccccc3c2=O)CC1
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0.0631n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220750
PNG
(CHEMBL55695)
Show SMILES Cc1c[nH]c(=O)n(CCCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
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0.158n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50160161
PNG
(5-Methyl-3-(3-{4-[2-(2,2,2-trifluoro-ethoxy)-pheny...)
Show SMILES Cc1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccccc2OCC(F)(F)F)c1=O
Show InChI InChI=1S/C20H25F3N4O3/c1-15-13-24-19(29)27(18(15)28)8-4-7-25-9-11-26(12-10-25)16-5-2-3-6-17(16)30-14-20(21,22)23/h2-3,5-6,13H,4,7-12,14H2,1H3,(H,24,29)
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0.251n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220788
PNG
(CHEMBL417954)
Show SMILES Fc1ccc(N2CCN(CCCn3c(=O)[nH]cc(F)c3=O)CC2)c(OCC(F)(F)F)c1
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0.251n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220744
PNG
(CHEMBL55290)
Show SMILES Cc1n[nH]c(=O)n(CCCN2CCN(CC2)c2ccccc2OCC(F)(F)F)c1=O
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0.316n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220785
PNG
(CHEMBL293149)
Show SMILES Cc1c[nH]c(=O)n(CCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
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0.501n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220782
PNG
(CHEMBL53675)
Show SMILES CCc1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
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0.794n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220786
PNG
(CHEMBL55629)
Show SMILES Cc1c[nH]c(=O)n(CC2(CN3CCN(CC3)c3ccccc3OCC(F)(F)F)CC2)c1=O
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0.794n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220748
PNG
(CHEMBL59153)
Show SMILES Fc1ccc(N2CCN(CCCN3C(=O)CCNC3=O)CC2)c(OCC(F)(F)F)c1
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1n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220779
PNG
(CHEMBL298838)
Show SMILES Fc1ccc(N2CCN(CCCn3c(=O)[nH]cc(Cl)c3=O)CC2)c(OCC(F)(F)F)c1
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1n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50160152
PNG
(3-(3-{3-[4-Fluoro-2-(2,2,2-trifluoro-ethoxy)-pheny...)
Show SMILES Cc1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
Show InChI InChI=1S/C20H24F4N4O3/c1-14-12-25-19(30)28(18(14)29)6-2-5-26-7-9-27(10-8-26)16-4-3-15(21)11-17(16)31-13-20(22,23)24/h3-4,11-12H,2,5-10,13H2,1H3,(H,25,30)
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1.30n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220780
PNG
(CHEMBL299452)
Show SMILES Fc1ccc(N2CCN(CCCn3c(=O)cc[nH]c3=O)CC2)c(OCC(F)(F)F)c1
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1.30n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220773
PNG
(CHEMBL56489)
Show SMILES Cc1cc(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c(=O)[nH]1
Show InChI InChI=1S/C20H24F4N4O3/c1-14-11-18(29)28(19(30)25-14)6-2-5-26-7-9-27(10-8-26)16-4-3-15(21)12-17(16)31-13-20(22,23)24/h3-4,11-12H,2,5-10,13H2,1H3,(H,25,30)
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1.60n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220787
PNG
(CHEMBL418112)
Show SMILES COc1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
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1.60n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50220747
PNG
(CHEMBL56863)
Show SMILES FC(F)(F)COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3ccccc3c2=O)CC1
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2n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220749
PNG
(CHEMBL292403)
Show SMILES Cc1cn(CCCN2CCN(CC2)c2ccccc2OCC(F)(F)F)c(=O)[nH]c1=O
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2n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220742
PNG
(CHEMBL57740)
Show SMILES CC(C)c1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
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2.5n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50220785
PNG
(CHEMBL293149)
Show SMILES Cc1c[nH]c(=O)n(CCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
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2.5n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220784
PNG
(CHEMBL417758)
Show SMILES Cc1c[nH]c(=O)n(CC(C)(C)CN2CCN(CC2)c2ccccc2OCC(F)(F)F)c1=O
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4n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50360584
PNG
(CHEMBL1933350)
Show SMILES CCC[C@@H]([C@@H](c1c[nH]c2c(F)cc(C)cc12)c1ccc(Cl)cc1)c1ccc(cc1)C(=O)NCCC(O)=O |r|
Show InChI InChI=1S/C30H30ClFN2O3/c1-3-4-23(19-5-7-21(8-6-19)30(37)33-14-13-27(35)36)28(20-9-11-22(31)12-10-20)25-17-34-29-24(25)15-18(2)16-26(29)32/h5-12,15-17,23,28,34H,3-4,13-14H2,1-2H3,(H,33,37)(H,35,36)/t23-,28+/m1/s1
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4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]Glucagon-Cex from human GCGR


Bioorg Med Chem Lett 22: 415-20 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.113
BindingDB Entry DOI: 10.7270/Q2H70G82
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220743
PNG
(CHEMBL56375)
Show SMILES [H][C@@]1(O)NC(=O)N(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)C(=O)[C@]1(C)O
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5n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50220747
PNG
(CHEMBL56863)
Show SMILES FC(F)(F)COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3ccccc3c2=O)CC1
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5n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50220746
PNG
(CHEMBL292189)
Show SMILES Cc1[nH]c(=O)n(CCCN2CCN(CC2)c2ccccc2OCC(F)(F)F)c(=O)c1C
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5n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Glucagon


(Homo sapiens (Human))
BDBM2437
PNG
(US8507533, 157)
Show SMILES CC1(C)CC(C1)C(Nc1cnc(nc1)-n1cc(cn1)C(F)(F)F)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1S/C25H27F3N6O3/c1-24(2)9-17(10-24)21(15-3-5-16(6-4-15)22(37)29-8-7-20(35)36)33-19-12-30-23(31-13-19)34-14-18(11-32-34)25(26,27)28/h3-6,11-14,17,21,33H,7-10H2,1-2H3,(H,29,37)(H,35,36)
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5.55n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.


US Patent US8507533 (2013)


BindingDB Entry DOI: 10.7270/Q23R0RGH
More data for this
Ligand-Target Pair
Glucagon


(Homo sapiens (Human))
BDBM100827
PNG
(US8507533, 138 | US8507533, 151 | US8507533, 374)
Show SMILES Cc1cc(OC(C2CCC2)c2ccc(cc2)C(=O)NCCC(O)=O)cc(C)c1-n1cc(cn1)C(F)(F)F
Show InChI InChI=1S/C27H28F3N3O4/c1-16-12-22(13-17(2)24(16)33-15-21(14-32-33)27(28,29)30)37-25(18-4-3-5-18)19-6-8-20(9-7-19)26(36)31-11-10-23(34)35/h6-9,12-15,18,25H,3-5,10-11H2,1-2H3,(H,31,36)(H,34,35)
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5.75n/an/an/an/an/an/a7.4n/a



Pfizer Inc.

US Patent


Assay Description
The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.


US Patent US8507533 (2013)


BindingDB Entry DOI: 10.7270/Q23R0RGH
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220783
PNG
(CHEMBL291951)
Show SMILES CN(C)c1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
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6.30n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50220745
PNG
(CHEMBL301650)
Show SMILES FC(F)(F)COc1ccccc1N1CCN(CCCn2c(=O)[nH]cc(c2=O)C(F)(F)F)CC1
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6.30n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Glucagon


(Homo sapiens (Human))
BDBM100806
PNG
(US8507533, 114 | US8507533, 115 | US8507533, 330)
Show SMILES CC1(C)CC(C1)C(Nc1ccc(nc1)-n1cc(cn1)C(F)(F)F)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1S/C26H28F3N5O3/c1-25(2)11-18(12-25)23(16-3-5-17(6-4-16)24(37)30-10-9-22(35)36)33-20-7-8-21(31-14-20)34-15-19(13-32-34)26(27,28)29/h3-8,13-15,18,23,33H,9-12H2,1-2H3,(H,30,37)(H,35,36)
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7.60n/an/an/an/an/an/a7.4n/a



Pfizer Inc.

US Patent


Assay Description
The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.


US Patent US8507533 (2013)


BindingDB Entry DOI: 10.7270/Q23R0RGH
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220781
PNG
(CHEMBL55645)
Show SMILES OCc1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
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7.90n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50220744
PNG
(CHEMBL55290)
Show SMILES Cc1n[nH]c(=O)n(CCCN2CCN(CC2)c2ccccc2OCC(F)(F)F)c1=O
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7.90n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Glucagon


(Homo sapiens (Human))
BDBM2390
PNG
(US8507533, 146)
Show SMILES OC(=O)CCNC(=O)c1ccc(cc1)[C@@H](Nc1ccc(nc1)-n1cc(cn1)C(F)(F)F)C1CCCCC1 |r|
Show InChI InChI=1S/C26H28F3N5O3/c27-26(28,29)20-14-32-34(16-20)22-11-10-21(15-31-22)33-24(17-4-2-1-3-5-17)18-6-8-19(9-7-18)25(37)30-13-12-23(35)36/h6-11,14-17,24,33H,1-5,12-13H2,(H,30,37)(H,35,36)/t24-/m0/s1
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9.05n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.


US Patent US8507533 (2013)


BindingDB Entry DOI: 10.7270/Q23R0RGH
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50220779
PNG
(CHEMBL298838)
Show SMILES Fc1ccc(N2CCN(CCCn3c(=O)[nH]cc(Cl)c3=O)CC2)c(OCC(F)(F)F)c1
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10n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50220750
PNG
(CHEMBL55695)
Show SMILES Cc1c[nH]c(=O)n(CCCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
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10n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50433595
PNG
(CHEMBL2381827)
Show SMILES CCCC(Nc1cc(C)c(c(C)c1)-n1cc(cn1)C(F)(F)F)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1S/C26H29F3N4O3/c1-4-5-22(18-6-8-19(9-7-18)25(36)30-11-10-23(34)35)32-21-12-16(2)24(17(3)13-21)33-15-20(14-31-33)26(27,28)29/h6-9,12-15,22,32H,4-5,10-11H2,1-3H3,(H,30,36)(H,34,35)
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12n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon-cex from human glucagon receptor by cell based assay in presence of 0.2% bovine serum albumin


Bioorg Med Chem Lett 23: 3051-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.014
BindingDB Entry DOI: 10.7270/Q27M099R
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50160161
PNG
(5-Methyl-3-(3-{4-[2-(2,2,2-trifluoro-ethoxy)-pheny...)
Show SMILES Cc1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccccc2OCC(F)(F)F)c1=O
Show InChI InChI=1S/C20H25F3N4O3/c1-15-13-24-19(29)27(18(15)28)8-4-7-25-9-11-26(12-10-25)16-5-2-3-6-17(16)30-14-20(21,22)23/h2-3,5-6,13H,4,7-12,14H2,1H3,(H,24,29)
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13n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50433577
PNG
(CHEMBL2381848)
Show SMILES CCC[C@H](Oc1cc(C)c(c(C)c1)-n1cc(cn1)C(F)(F)F)c1ccc(cc1)C(=O)NCCC(O)=O |r|
Show InChI InChI=1S/C26H28F3N3O4/c1-4-5-22(18-6-8-19(9-7-18)25(35)30-11-10-23(33)34)36-21-12-16(2)24(17(3)13-21)32-15-20(14-31-32)26(27,28)29/h6-9,12-15,22H,4-5,10-11H2,1-3H3,(H,30,35)(H,33,34)/t22-/m0/s1
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14n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon-cex from human glucagon receptor by cell based assay in presence of 0.2% bovine serum albumin


Bioorg Med Chem Lett 23: 3051-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.014
BindingDB Entry DOI: 10.7270/Q27M099R
More data for this
Ligand-Target Pair
Glucagon


(Homo sapiens (Human))
BDBM142039
PNG
(US8927577, 118 | US8927577, 20 | US8927577, 35)
Show SMILES Cc1cc2cc(F)ccc2nc1NC(C1CC(C)(C)C1)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1/C27H30FN3O3/c1-16-12-19-13-21(28)8-9-22(19)30-25(16)31-24(20-14-27(2,3)15-20)17-4-6-18(7-5-17)26(34)29-11-10-23(32)33/h4-9,12-13,20,24H,10-11,14-15H2,1-3H3,(H,29,34)(H,30,31)(H,32,33)
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14n/an/an/an/an/an/a7.4n/a



Pfizer Inc.

US Patent


Assay Description
The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptor. Test compoun...


US Patent US8927577 (2015)


BindingDB Entry DOI: 10.7270/Q29S1PRV
More data for this
Ligand-Target Pair
Glucagon


(Homo sapiens (Human))
BDBM100806
PNG
(US8507533, 114 | US8507533, 115 | US8507533, 330)
Show SMILES CC1(C)CC(C1)C(Nc1ccc(nc1)-n1cc(cn1)C(F)(F)F)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1S/C26H28F3N5O3/c1-25(2)11-18(12-25)23(16-3-5-17(6-4-16)24(37)30-10-9-22(35)36)33-20-7-8-21(31-14-20)34-15-19(13-32-34)26(27,28)29/h3-8,13-15,18,23,33H,9-12H2,1-2H3,(H,30,37)(H,35,36)
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15.8n/an/an/an/an/an/a7.4n/a



Pfizer Inc.

US Patent


Assay Description
The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.


US Patent US8507533 (2013)


BindingDB Entry DOI: 10.7270/Q23R0RGH
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50220785
PNG
(CHEMBL293149)
Show SMILES Cc1c[nH]c(=O)n(CCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
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16n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50220746
PNG
(CHEMBL292189)
Show SMILES Cc1[nH]c(=O)n(CCCN2CCN(CC2)c2ccccc2OCC(F)(F)F)c(=O)c1C
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16n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50220786
PNG
(CHEMBL55629)
Show SMILES Cc1c[nH]c(=O)n(CC2(CN3CCN(CC3)c3ccccc3OCC(F)(F)F)CC2)c1=O
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16n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50360599
PNG
(CHEMBL1933365)
Show SMILES OC(=O)CCNC(=O)c1ccc(cc1)C(Nc1cnn(c1)-c1ccc(cc1)C(F)(F)F)C1CCCC1
Show InChI InChI=1S/C26H27F3N4O3/c27-26(28,29)20-9-11-22(12-10-20)33-16-21(15-31-33)32-24(17-3-1-2-4-17)18-5-7-19(8-6-18)25(36)30-14-13-23(34)35/h5-12,15-17,24,32H,1-4,13-14H2,(H,30,36)(H,34,35)
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17n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]Glucagon-Cex from human GCGR


Bioorg Med Chem Lett 22: 415-20 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.113
BindingDB Entry DOI: 10.7270/Q2H70G82
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50360599
PNG
(CHEMBL1933365)
Show SMILES OC(=O)CCNC(=O)c1ccc(cc1)C(Nc1cnn(c1)-c1ccc(cc1)C(F)(F)F)C1CCCC1
Show InChI InChI=1S/C26H27F3N4O3/c27-26(28,29)20-9-11-22(12-10-20)33-16-21(15-31-33)32-24(17-3-1-2-4-17)18-5-7-19(8-6-18)25(36)30-14-13-23(34)35/h5-12,15-17,24,32H,1-4,13-14H2,(H,30,36)(H,34,35)
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17n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]Glucagon-Cex from human GCGR


Bioorg Med Chem Lett 22: 415-20 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.113
BindingDB Entry DOI: 10.7270/Q2H70G82
More data for this
Ligand-Target Pair
Glucagon


(Homo sapiens (Human))
BDBM100796
PNG
(US8507533, 101)
Show SMILES OC(=O)CCNC(=O)c1ccc(cc1)C(Nc1ccc(nc1)-n1cc(cn1)C(F)(F)F)C1CCCCC1
Show InChI InChI=1S/C26H28F3N5O3/c27-26(28,29)20-14-32-34(16-20)22-11-10-21(15-31-22)33-24(17-4-2-1-3-5-17)18-6-8-19(9-7-18)25(37)30-13-12-23(35)36/h6-11,14-17,24,33H,1-5,12-13H2,(H,30,37)(H,35,36)
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17n/an/an/an/an/an/a7.4n/a



Pfizer Inc.

US Patent


Assay Description
The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.


US Patent US8507533 (2013)


BindingDB Entry DOI: 10.7270/Q23R0RGH
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50220749
PNG
(CHEMBL292403)
Show SMILES Cc1cn(CCCN2CCN(CC2)c2ccccc2OCC(F)(F)F)c(=O)[nH]c1=O
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20n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220745
PNG
(CHEMBL301650)
Show SMILES FC(F)(F)COc1ccccc1N1CCN(CCCn2c(=O)[nH]cc(c2=O)C(F)(F)F)CC1
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20n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Glucagon


(Homo sapiens (Human))
BDBM100827
PNG
(US8507533, 138 | US8507533, 151 | US8507533, 374)
Show SMILES Cc1cc(OC(C2CCC2)c2ccc(cc2)C(=O)NCCC(O)=O)cc(C)c1-n1cc(cn1)C(F)(F)F
Show InChI InChI=1S/C27H28F3N3O4/c1-16-12-22(13-17(2)24(16)33-15-21(14-32-33)27(28,29)30)37-25(18-4-3-5-18)19-6-8-20(9-7-19)26(36)31-11-10-23(34)35/h6-9,12-15,18,25H,3-5,10-11H2,1-2H3,(H,31,36)(H,34,35)
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20.2n/an/an/an/an/an/a7.4n/a



Pfizer Inc.

US Patent


Assay Description
The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.


US Patent US8507533 (2013)


BindingDB Entry DOI: 10.7270/Q23R0RGH
More data for this
Ligand-Target Pair
Glucagon


(Homo sapiens (Human))
BDBM2376
PNG
(US8507533, 137)
Show SMILES CCC[C@H](Nc1ccc(nc1)-n1cc(cn1)C(C)(C)C)c1ccc(cc1)C(=O)NCCC(O)=O |r|
Show InChI InChI=1S/C26H33N5O3/c1-5-6-22(18-7-9-19(10-8-18)25(34)27-14-13-24(32)33)30-21-11-12-23(28-16-21)31-17-20(15-29-31)26(2,3)4/h7-12,15-17,22,30H,5-6,13-14H2,1-4H3,(H,27,34)(H,32,33)/t22-/m0/s1
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20.2n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.


US Patent US8507533 (2013)


BindingDB Entry DOI: 10.7270/Q23R0RGH
More data for this
Ligand-Target Pair
Glucagon


(Homo sapiens (Human))
BDBM142041
PNG
(US8927577, 22)
Show SMILES CC1(C)CC(C1)C(Nc1cnc2cc(F)ccc2c1)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1/C26H28FN3O3/c1-26(2)13-19(14-26)24(30-21-11-18-7-8-20(27)12-22(18)29-15-21)16-3-5-17(6-4-16)25(33)28-10-9-23(31)32/h3-8,11-12,15,19,24,30H,9-10,13-14H2,1-2H3,(H,28,33)(H,31,32)
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25n/an/an/an/an/an/a7.4n/a



Pfizer Inc.

US Patent


Assay Description
The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptor. Test compoun...


US Patent US8927577 (2015)


BindingDB Entry DOI: 10.7270/Q29S1PRV
More data for this
Ligand-Target Pair
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