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PubMed code 25423411

Compile data set for download or QSAR
Found 28 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50034505
PNG
(CHEMBL3359270)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1cn(C2CCCC2)c(=O)c2n(C)c3ccccc3c12 |r|
Show InChI InChI=1S/C25H32N4O2/c1-3-28-14-8-11-18(28)15-26-24(30)20-16-29(17-9-4-5-10-17)25(31)23-22(20)19-12-6-7-13-21(19)27(23)2/h6-7,12-13,16-18H,3-5,8-11,14-15H2,1-2H3,(H,26,30)/t18-/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)

J Med Chem 57: 10192-7 (2014)


Article DOI: 10.1021/jm501375c
BindingDB Entry DOI: 10.7270/Q2NV9KVS
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50034510
PNG
(CHEMBL3359272)
Show SMILES CC(C)N1CCC[C@H]1CNC(=O)c1cn(C2CCCC2)c(=O)c2n(C)c3ccccc3c12 |r|
Show InChI InChI=1S/C26H34N4O2/c1-17(2)29-14-8-11-19(29)15-27-25(31)21-16-30(18-9-4-5-10-18)26(32)24-23(21)20-12-6-7-13-22(20)28(24)3/h6-7,12-13,16-19H,4-5,8-11,14-15H2,1-3H3,(H,27,31)/t19-/m0/s1
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n/an/a 3.89E+3n/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)

J Med Chem 57: 10192-7 (2014)


Article DOI: 10.1021/jm501375c
BindingDB Entry DOI: 10.7270/Q2NV9KVS
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50034510
PNG
(CHEMBL3359272)
Show SMILES CC(C)N1CCC[C@H]1CNC(=O)c1cn(C2CCCC2)c(=O)c2n(C)c3ccccc3c12 |r|
Show InChI InChI=1S/C26H34N4O2/c1-17(2)29-14-8-11-19(29)15-27-25(31)21-16-30(18-9-4-5-10-18)26(32)24-23(21)20-12-6-7-13-22(20)28(24)3/h6-7,12-13,16-19H,4-5,8-11,14-15H2,1-3H3,(H,27,31)/t19-/m0/s1
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n/an/a 1.01E+4n/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)

J Med Chem 57: 10192-7 (2014)


Article DOI: 10.1021/jm501375c
BindingDB Entry DOI: 10.7270/Q2NV9KVS
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50034505
PNG
(CHEMBL3359270)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1cn(C2CCCC2)c(=O)c2n(C)c3ccccc3c12 |r|
Show InChI InChI=1S/C25H32N4O2/c1-3-28-14-8-11-18(28)15-26-24(30)20-16-29(17-9-4-5-10-17)25(31)23-22(20)19-12-6-7-13-21(19)27(23)2/h6-7,12-13,16-18H,3-5,8-11,14-15H2,1-2H3,(H,26,30)/t18-/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)

J Med Chem 57: 10192-7 (2014)


Article DOI: 10.1021/jm501375c
BindingDB Entry DOI: 10.7270/Q2NV9KVS
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))		BDBM50034505
PNG
(CHEMBL3359270)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1cn(C2CCCC2)c(=O)c2n(C)c3ccccc3c12 |r|
Show InChI InChI=1S/C25H32N4O2/c1-3-28-14-8-11-18(28)15-26-24(30)20-16-29(17-9-4-5-10-17)25(31)23-22(20)19-12-6-7-13-21(19)27(23)2/h6-7,12-13,16-18H,3-5,8-11,14-15H2,1-2H3,(H,26,30)/t18-/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)

J Med Chem 57: 10192-7 (2014)


Article DOI: 10.1021/jm501375c
BindingDB Entry DOI: 10.7270/Q2NV9KVS
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))		BDBM50034505
PNG
(CHEMBL3359270)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1cn(C2CCCC2)c(=O)c2n(C)c3ccccc3c12 |r|
Show InChI InChI=1S/C25H32N4O2/c1-3-28-14-8-11-18(28)15-26-24(30)20-16-29(17-9-4-5-10-17)25(31)23-22(20)19-12-6-7-13-21(19)27(23)2/h6-7,12-13,16-18H,3-5,8-11,14-15H2,1-2H3,(H,26,30)/t18-/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)

J Med Chem 57: 10192-7 (2014)


Article DOI: 10.1021/jm501375c
BindingDB Entry DOI: 10.7270/Q2NV9KVS
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))		BDBM50034510
PNG
(CHEMBL3359272)
Show SMILES CC(C)N1CCC[C@H]1CNC(=O)c1cn(C2CCCC2)c(=O)c2n(C)c3ccccc3c12 |r|
Show InChI InChI=1S/C26H34N4O2/c1-17(2)29-14-8-11-19(29)15-27-25(31)21-16-30(18-9-4-5-10-18)26(32)24-23(21)20-12-6-7-13-22(20)28(24)3/h6-7,12-13,16-19H,4-5,8-11,14-15H2,1-3H3,(H,27,31)/t19-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)

J Med Chem 57: 10192-7 (2014)


Article DOI: 10.1021/jm501375c
BindingDB Entry DOI: 10.7270/Q2NV9KVS
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))		BDBM50034510
PNG
(CHEMBL3359272)
Show SMILES CC(C)N1CCC[C@H]1CNC(=O)c1cn(C2CCCC2)c(=O)c2n(C)c3ccccc3c12 |r|
Show InChI InChI=1S/C26H34N4O2/c1-17(2)29-14-8-11-19(29)15-27-25(31)21-16-30(18-9-4-5-10-18)26(32)24-23(21)20-12-6-7-13-22(20)28(24)3/h6-7,12-13,16-19H,4-5,8-11,14-15H2,1-3H3,(H,27,31)/t19-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)

J Med Chem 57: 10192-7 (2014)


Article DOI: 10.1021/jm501375c
BindingDB Entry DOI: 10.7270/Q2NV9KVS
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))		BDBM50034512
PNG
(CHEMBL3359273)
Show SMILES COc1ccccc1CN1CCC[C@H]1CNC(=O)c1cn(C2CCCC2)c(=O)c2n(C)c3ccccc3c12 |r|
Show InChI InChI=1S/C31H36N4O3/c1-33-26-15-7-6-14-24(26)28-25(20-35(31(37)29(28)33)22-11-4-5-12-22)30(36)32-18-23-13-9-17-34(23)19-21-10-3-8-16-27(21)38-2/h3,6-8,10,14-16,20,22-23H,4-5,9,11-13,17-19H2,1-2H3,(H,32,36)/t23-/m0/s1
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n/an/an/an/a 1.20E+4n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human recombinant GLP1 receptor expressed in 9-3-H cells by calcium mobilization assay

J Med Chem 57: 10192-7 (2014)


Article DOI: 10.1021/jm501375c
BindingDB Entry DOI: 10.7270/Q2NV9KVS
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))		BDBM50034510
PNG
(CHEMBL3359272)
Show SMILES CC(C)N1CCC[C@H]1CNC(=O)c1cn(C2CCCC2)c(=O)c2n(C)c3ccccc3c12 |r|
Show InChI InChI=1S/C26H34N4O2/c1-17(2)29-14-8-11-19(29)15-27-25(31)21-16-30(18-9-4-5-10-18)26(32)24-23(21)20-12-6-7-13-22(20)28(24)3/h6-7,12-13,16-19H,4-5,8-11,14-15H2,1-3H3,(H,27,31)/t19-/m0/s1
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n/an/an/an/a 1.82E+3n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human recombinant GLP1 receptor expressed in 9-3-H cells by calcium mobilization assay in presence of EC20 of GLP1

J Med Chem 57: 10192-7 (2014)


Article DOI: 10.1021/jm501375c
BindingDB Entry DOI: 10.7270/Q2NV9KVS
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))		BDBM50034500
PNG
(CHEMBL3359269)
Show SMILES CCN1CCCC1CNC(=O)c1cn(C2CCCC2)c(=O)c2n(C)c3ccccc3c12
Show InChI InChI=1S/C25H32N4O2/c1-3-28-14-8-11-18(28)15-26-24(30)20-16-29(17-9-4-5-10-17)25(31)23-22(20)19-12-6-7-13-21(19)27(23)2/h6-7,12-13,16-18H,3-5,8-11,14-15H2,1-2H3,(H,26,30)
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n/an/an/an/a 4.10E+3n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human recombinant GLP1 receptor expressed in 9-3-H cells by calcium mobilization assay

J Med Chem 57: 10192-7 (2014)


Article DOI: 10.1021/jm501375c
BindingDB Entry DOI: 10.7270/Q2NV9KVS
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))		BDBM50034510
PNG
(CHEMBL3359272)
Show SMILES CC(C)N1CCC[C@H]1CNC(=O)c1cn(C2CCCC2)c(=O)c2n(C)c3ccccc3c12 |r|
Show InChI InChI=1S/C26H34N4O2/c1-17(2)29-14-8-11-19(29)15-27-25(31)21-16-30(18-9-4-5-10-18)26(32)24-23(21)20-12-6-7-13-22(20)28(24)3/h6-7,12-13,16-19H,4-5,8-11,14-15H2,1-3H3,(H,27,31)/t19-/m0/s1
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n/an/an/an/a 1.32E+3n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human recombinant GLP1 receptor expressed in 9-3-H cells by calcium mobilization assay

J Med Chem 57: 10192-7 (2014)


Article DOI: 10.1021/jm501375c
BindingDB Entry DOI: 10.7270/Q2NV9KVS
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))		BDBM50034510
PNG
(CHEMBL3359272)
Show SMILES CC(C)N1CCC[C@H]1CNC(=O)c1cn(C2CCCC2)c(=O)c2n(C)c3ccccc3c12 |r|
Show InChI InChI=1S/C26H34N4O2/c1-17(2)29-14-8-11-19(29)15-27-25(31)21-16-30(18-9-4-5-10-18)26(32)24-23(21)20-12-6-7-13-22(20)28(24)3/h6-7,12-13,16-19H,4-5,8-11,14-15H2,1-3H3,(H,27,31)/t19-/m0/s1
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n/an/an/an/a 8.51E+3n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human recombinant GLP1 receptor expressed in 9-3-H cells by calcium mobilization assay in presence of EC20 of exena...

J Med Chem 57: 10192-7 (2014)


Article DOI: 10.1021/jm501375c
BindingDB Entry DOI: 10.7270/Q2NV9KVS
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))		BDBM50034510
PNG
(CHEMBL3359272)
Show SMILES CC(C)N1CCC[C@H]1CNC(=O)c1cn(C2CCCC2)c(=O)c2n(C)c3ccccc3c12 |r|
Show InChI InChI=1S/C26H34N4O2/c1-17(2)29-14-8-11-19(29)15-27-25(31)21-16-30(18-9-4-5-10-18)26(32)24-23(21)20-12-6-7-13-22(20)28(24)3/h6-7,12-13,16-19H,4-5,8-11,14-15H2,1-3H3,(H,27,31)/t19-/m0/s1
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n/an/an/an/a 1.80E+3n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human recombinant GLP1 receptor expressed in 9-3-H cells by calcium mobilization assay in presence of EC20 of GLP1

J Med Chem 57: 10192-7 (2014)


Article DOI: 10.1021/jm501375c
BindingDB Entry DOI: 10.7270/Q2NV9KVS
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))		BDBM50034510
PNG
(CHEMBL3359272)
Show SMILES CC(C)N1CCC[C@H]1CNC(=O)c1cn(C2CCCC2)c(=O)c2n(C)c3ccccc3c12 |r|
Show InChI InChI=1S/C26H34N4O2/c1-17(2)29-14-8-11-19(29)15-27-25(31)21-16-30(18-9-4-5-10-18)26(32)24-23(21)20-12-6-7-13-22(20)28(24)3/h6-7,12-13,16-19H,4-5,8-11,14-15H2,1-3H3,(H,27,31)/t19-/m0/s1
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n/an/an/an/a 3.00E+4n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human recombinant GLP1 receptor expressed in 9-3-H cells by calcium mobilization assay in presence of EC20 of lirag...

J Med Chem 57: 10192-7 (2014)


Article DOI: 10.1021/jm501375c
BindingDB Entry DOI: 10.7270/Q2NV9KVS
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))		BDBM50034506
PNG
(CHEMBL3359271)
Show SMILES CCCN1CCC[C@H]1CNC(=O)c1cn(C2CCCC2)c(=O)c2n(C)c3ccccc3c12 |r|
Show InChI InChI=1S/C26H34N4O2/c1-3-14-29-15-8-11-19(29)16-27-25(31)21-17-30(18-9-4-5-10-18)26(32)24-23(21)20-12-6-7-13-22(20)28(24)2/h6-7,12-13,17-19H,3-5,8-11,14-16H2,1-2H3,(H,27,31)/t19-/m0/s1
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n/an/an/an/a 6.61E+3n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human recombinant GLP1 receptor expressed in 9-3-H cells by calcium mobilization assay

J Med Chem 57: 10192-7 (2014)


Article DOI: 10.1021/jm501375c
BindingDB Entry DOI: 10.7270/Q2NV9KVS
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))		BDBM50034510
PNG
(CHEMBL3359272)
Show SMILES CC(C)N1CCC[C@H]1CNC(=O)c1cn(C2CCCC2)c(=O)c2n(C)c3ccccc3c12 |r|
Show InChI InChI=1S/C26H34N4O2/c1-17(2)29-14-8-11-19(29)15-27-25(31)21-16-30(18-9-4-5-10-18)26(32)24-23(21)20-12-6-7-13-22(20)28(24)3/h6-7,12-13,16-19H,4-5,8-11,14-15H2,1-3H3,(H,27,31)/t19-/m0/s1
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n/an/an/an/a 1.30E+3n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human recombinant GLP1 receptor expressed in 9-3-H cells by calcium mobilization assay

J Med Chem 57: 10192-7 (2014)


Article DOI: 10.1021/jm501375c
BindingDB Entry DOI: 10.7270/Q2NV9KVS
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))		BDBM50034515
PNG
(CHEMBL3359275)
Show SMILES Cn1c2ccccc2c2c(cn(C3CCCC3)c(=O)c12)C(=O)NC[C@@H]1CCCN1CCc1ccccc1 |r|
Show InChI InChI=1S/C31H36N4O2/c1-33-27-16-8-7-15-25(27)28-26(21-35(31(37)29(28)33)23-12-5-6-13-23)30(36)32-20-24-14-9-18-34(24)19-17-22-10-3-2-4-11-22/h2-4,7-8,10-11,15-16,21,23-24H,5-6,9,12-14,17-20H2,1H3,(H,32,36)/t24-/m0/s1
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n/an/an/an/a 1.82E+4n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human recombinant GLP1 receptor expressed in 9-3-H cells by calcium mobilization assay

J Med Chem 57: 10192-7 (2014)


Article DOI: 10.1021/jm501375c
BindingDB Entry DOI: 10.7270/Q2NV9KVS
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))		BDBM50034515
PNG
(CHEMBL3359275)
Show SMILES Cn1c2ccccc2c2c(cn(C3CCCC3)c(=O)c12)C(=O)NC[C@@H]1CCCN1CCc1ccccc1 |r|
Show InChI InChI=1S/C31H36N4O2/c1-33-27-16-8-7-15-25(27)28-26(21-35(31(37)29(28)33)23-12-5-6-13-23)30(36)32-20-24-14-9-18-34(24)19-17-22-10-3-2-4-11-22/h2-4,7-8,10-11,15-16,21,23-24H,5-6,9,12-14,17-20H2,1H3,(H,32,36)/t24-/m0/s1
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n/an/an/an/a 1.81E+4n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human recombinant GLP1 receptor expressed in 9-3-H cells by calcium mobilization assay

J Med Chem 57: 10192-7 (2014)


Article DOI: 10.1021/jm501375c
BindingDB Entry DOI: 10.7270/Q2NV9KVS
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))		BDBM50034500
PNG
(CHEMBL3359269)
Show SMILES CCN1CCCC1CNC(=O)c1cn(C2CCCC2)c(=O)c2n(C)c3ccccc3c12
Show InChI InChI=1S/C25H32N4O2/c1-3-28-14-8-11-18(28)15-26-24(30)20-16-29(17-9-4-5-10-17)25(31)23-22(20)19-12-6-7-13-21(19)27(23)2/h6-7,12-13,16-18H,3-5,8-11,14-15H2,1-2H3,(H,26,30)
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n/an/an/an/a 4.17E+3n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human recombinant GLP1 receptor expressed in 9-3-H cells by calcium mobilization assay

J Med Chem 57: 10192-7 (2014)


Article DOI: 10.1021/jm501375c
BindingDB Entry DOI: 10.7270/Q2NV9KVS
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))		BDBM50034514
PNG
(CHEMBL3359274)
Show SMILES CCCCCCN1CCC[C@H]1CNC(=O)c1cn(C2CCCC2)c(=O)c2n(C)c3ccccc3c12 |r|
Show InChI InChI=1S/C29H40N4O2/c1-3-4-5-10-17-32-18-11-14-22(32)19-30-28(34)24-20-33(21-12-6-7-13-21)29(35)27-26(24)23-15-8-9-16-25(23)31(27)2/h8-9,15-16,20-22H,3-7,10-14,17-19H2,1-2H3,(H,30,34)/t22-/m0/s1
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n/an/an/an/a 1.03E+4n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human recombinant GLP1 receptor expressed in 9-3-H cells by calcium mobilization assay

J Med Chem 57: 10192-7 (2014)


Article DOI: 10.1021/jm501375c
BindingDB Entry DOI: 10.7270/Q2NV9KVS
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))		BDBM50034510
PNG
(CHEMBL3359272)
Show SMILES CC(C)N1CCC[C@H]1CNC(=O)c1cn(C2CCCC2)c(=O)c2n(C)c3ccccc3c12 |r|
Show InChI InChI=1S/C26H34N4O2/c1-17(2)29-14-8-11-19(29)15-27-25(31)21-16-30(18-9-4-5-10-18)26(32)24-23(21)20-12-6-7-13-22(20)28(24)3/h6-7,12-13,16-19H,4-5,8-11,14-15H2,1-3H3,(H,27,31)/t19-/m0/s1
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n/an/an/an/a 3.16E+4n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human recombinant GLP1 receptor expressed in 9-3-H cells by calcium mobilization assay in presence of EC20 of lirag...

J Med Chem 57: 10192-7 (2014)


Article DOI: 10.1021/jm501375c
BindingDB Entry DOI: 10.7270/Q2NV9KVS
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))		BDBM50034514
PNG
(CHEMBL3359274)
Show SMILES CCCCCCN1CCC[C@H]1CNC(=O)c1cn(C2CCCC2)c(=O)c2n(C)c3ccccc3c12 |r|
Show InChI InChI=1S/C29H40N4O2/c1-3-4-5-10-17-32-18-11-14-22(32)19-30-28(34)24-20-33(21-12-6-7-13-21)29(35)27-26(24)23-15-8-9-16-25(23)31(27)2/h8-9,15-16,20-22H,3-7,10-14,17-19H2,1-2H3,(H,30,34)/t22-/m0/s1
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n/an/an/an/a 1.02E+4n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human recombinant GLP1 receptor expressed in 9-3-H cells by calcium mobilization assay

J Med Chem 57: 10192-7 (2014)


Article DOI: 10.1021/jm501375c
BindingDB Entry DOI: 10.7270/Q2NV9KVS
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))		BDBM50034512
PNG
(CHEMBL3359273)
Show SMILES COc1ccccc1CN1CCC[C@H]1CNC(=O)c1cn(C2CCCC2)c(=O)c2n(C)c3ccccc3c12 |r|
Show InChI InChI=1S/C31H36N4O3/c1-33-26-15-7-6-14-24(26)28-25(20-35(31(37)29(28)33)22-11-4-5-12-22)30(36)32-18-23-13-9-17-34(23)19-21-10-3-8-16-27(21)38-2/h3,6-8,10,14-16,20,22-23H,4-5,9,11-13,17-19H2,1-2H3,(H,32,36)/t23-/m0/s1
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n/an/an/an/a 1.21E+4n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human recombinant GLP1 receptor expressed in 9-3-H cells by calcium mobilization assay

J Med Chem 57: 10192-7 (2014)


Article DOI: 10.1021/jm501375c
BindingDB Entry DOI: 10.7270/Q2NV9KVS
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))		BDBM50034505
PNG
(CHEMBL3359270)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1cn(C2CCCC2)c(=O)c2n(C)c3ccccc3c12 |r|
Show InChI InChI=1S/C25H32N4O2/c1-3-28-14-8-11-18(28)15-26-24(30)20-16-29(17-9-4-5-10-17)25(31)23-22(20)19-12-6-7-13-21(19)27(23)2/h6-7,12-13,16-18H,3-5,8-11,14-15H2,1-2H3,(H,26,30)/t18-/m0/s1
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n/an/an/an/a 2.04E+3n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human recombinant GLP1 receptor expressed in 9-3-H cells by calcium mobilization assay

J Med Chem 57: 10192-7 (2014)


Article DOI: 10.1021/jm501375c
BindingDB Entry DOI: 10.7270/Q2NV9KVS
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))		BDBM50034510
PNG
(CHEMBL3359272)
Show SMILES CC(C)N1CCC[C@H]1CNC(=O)c1cn(C2CCCC2)c(=O)c2n(C)c3ccccc3c12 |r|
Show InChI InChI=1S/C26H34N4O2/c1-17(2)29-14-8-11-19(29)15-27-25(31)21-16-30(18-9-4-5-10-18)26(32)24-23(21)20-12-6-7-13-22(20)28(24)3/h6-7,12-13,16-19H,4-5,8-11,14-15H2,1-3H3,(H,27,31)/t19-/m0/s1
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n/an/an/an/a 8.40E+3n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human recombinant GLP1 receptor expressed in 9-3-H cells by calcium mobilization assay in presence of EC20 of exena...

J Med Chem 57: 10192-7 (2014)


Article DOI: 10.1021/jm501375c
BindingDB Entry DOI: 10.7270/Q2NV9KVS
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))		BDBM50034506
PNG
(CHEMBL3359271)
Show SMILES CCCN1CCC[C@H]1CNC(=O)c1cn(C2CCCC2)c(=O)c2n(C)c3ccccc3c12 |r|
Show InChI InChI=1S/C26H34N4O2/c1-3-14-29-15-8-11-19(29)16-27-25(31)21-17-30(18-9-4-5-10-18)26(32)24-23(21)20-12-6-7-13-22(20)28(24)2/h6-7,12-13,17-19H,3-5,8-11,14-16H2,1-2H3,(H,27,31)/t19-/m0/s1
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n/an/an/an/a 6.50E+3n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human recombinant GLP1 receptor expressed in 9-3-H cells by calcium mobilization assay

J Med Chem 57: 10192-7 (2014)


Article DOI: 10.1021/jm501375c
BindingDB Entry DOI: 10.7270/Q2NV9KVS
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))		BDBM50034505
PNG
(CHEMBL3359270)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1cn(C2CCCC2)c(=O)c2n(C)c3ccccc3c12 |r|
Show InChI InChI=1S/C25H32N4O2/c1-3-28-14-8-11-18(28)15-26-24(30)20-16-29(17-9-4-5-10-17)25(31)23-22(20)19-12-6-7-13-21(19)27(23)2/h6-7,12-13,16-18H,3-5,8-11,14-15H2,1-2H3,(H,26,30)/t18-/m0/s1
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n/an/an/an/a 2.04E+3n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human recombinant GLP1 receptor expressed in 9-3-H cells by calcium mobilization assay

J Med Chem 57: 10192-7 (2014)


Article DOI: 10.1021/jm501375c
BindingDB Entry DOI: 10.7270/Q2NV9KVS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%