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PubMed code 28045522

Compile data set for download or QSAR
Found 76 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
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232374
PNG
(CHEMBL4083614)
Show SMILES Cc1nn(c2NC(=O)CC(OCc3ccccc3Cl)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C19H16ClN7O2/c1-10-15-13(29-7-11-4-2-3-5-12(11)20)6-14(28)25-18(15)27(26-10)19-16-17(22-8-21-16)23-9-24-19/h2-5,8-9,13H,6-7H2,1H3,(H,25,28)(H,21,22,23,24)
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n/an/an/an/a 2n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation in presence of ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232386
PNG
(CHEMBL4068635)
Show SMILES Cc1nn(c2NC(=O)CC(C(=O)Nc3ccccc3)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C19H16N8O2/c1-10-14-12(19(29)24-11-5-3-2-4-6-11)7-13(28)25-17(14)27(26-10)18-15-16(21-8-20-15)22-9-23-18/h2-6,8-9,12H,7H2,1H3,(H,24,29)(H,25,28)(H,20,21,22,23)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation in presence of ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232389
PNG
(CHEMBL4091396)
Show SMILES Cc1nn(c2NC(=O)CC(OCc3ccc(Cl)cc3Cl)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C19H15Cl2N7O2/c1-9-15-13(30-6-10-2-3-11(20)4-12(10)21)5-14(29)26-18(15)28(27-9)19-16-17(23-7-22-16)24-8-25-19/h2-4,7-8,13H,5-6H2,1H3,(H,26,29)(H,22,23,24,25)
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n/an/an/an/a 243n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation measured after ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232375
PNG
(CHEMBL4089047)
Show SMILES COc1ccc(CCOC2CC(=O)Nc3c2c(C)nn3-c2ncnc3nc[nH]c23)cc1
Show InChI InChI=1S/C21H21N7O3/c1-12-17-15(31-8-7-13-3-5-14(30-2)6-4-13)9-16(29)26-20(17)28(27-12)21-18-19(23-10-22-18)24-11-25-21/h3-6,10-11,15H,7-9H2,1-2H3,(H,26,29)(H,22,23,24,25)
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n/an/an/an/a 70n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation measured after ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232376
PNG
(CHEMBL4081167)
Show SMILES CC(C)c1ccc(COC2CC(=O)Nc3c2c(C)nn3-c2ncnc3nc[nH]c23)cc1
Show InChI InChI=1S/C22H23N7O2/c1-12(2)15-6-4-14(5-7-15)9-31-16-8-17(30)27-21-18(16)13(3)28-29(21)22-19-20(24-10-23-19)25-11-26-22/h4-7,10-12,16H,8-9H2,1-3H3,(H,27,30)(H,23,24,25,26)
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n/an/an/an/a 1.69E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation measured after ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232383
PNG
(CHEMBL4062704)
Show SMILES Cc1nn(c2NC(=O)CC(NC(=O)c3ccccc3)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C19H16N8O2/c1-10-14-12(24-19(29)11-5-3-2-4-6-11)7-13(28)25-17(14)27(26-10)18-15-16(21-8-20-15)22-9-23-18/h2-6,8-9,12H,7H2,1H3,(H,24,29)(H,25,28)(H,20,21,22,23)
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n/an/an/an/a 158n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation measured after ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232393
PNG
(CHEMBL4081885)
Show SMILES Cc1nn(c2NC(=O)CC(C(=O)NCc3ccccc3)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C20H18N8O2/c1-11-15-13(20(30)21-8-12-5-3-2-4-6-12)7-14(29)26-18(15)28(27-11)19-16-17(23-9-22-16)24-10-25-19/h2-6,9-10,13H,7-8H2,1H3,(H,21,30)(H,26,29)(H,22,23,24,25)
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n/an/an/an/a 2.93E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation measured after ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232395
PNG
(CHEMBL4080106)
Show SMILES CC(C)COC1CC(=O)Nc2c1c(C)nn2-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C16H19N7O2/c1-8(2)5-25-10-4-11(24)21-15-12(10)9(3)22-23(15)16-13-14(18-6-17-13)19-7-20-16/h6-8,10H,4-5H2,1-3H3,(H,21,24)(H,17,18,19,20)
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n/an/an/an/a 4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation in presence of ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232399
PNG
(CHEMBL4088923)
Show SMILES Cn1c2NC(N\N=C\c3ccc(O)cc3O)N(CC=C)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C17H20N6O4/c1-4-7-23-13-14(21(2)17(27)22(3)15(13)26)19-16(23)20-18-9-10-5-6-11(24)8-12(10)25/h4-6,8-9,16,19-20,24-25H,1,7H2,2-3H3/b18-9+
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n/an/an/an/a 340n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation in presence of ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232401
PNG
(CHEMBL4077818)
Show SMILES Cc1nn(c2NC(=O)CC(c12)c1ccc(F)cc1Cl)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C18H13ClFN7O/c1-8-14-11(10-3-2-9(20)4-12(10)19)5-13(28)25-17(14)27(26-8)18-15-16(22-6-21-15)23-7-24-18/h2-4,6-7,11H,5H2,1H3,(H,25,28)(H,21,22,23,24)
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n/an/an/an/a 280n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation measured after ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232389
PNG
(CHEMBL4091396)
Show SMILES Cc1nn(c2NC(=O)CC(OCc3ccc(Cl)cc3Cl)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C19H15Cl2N7O2/c1-9-15-13(30-6-10-2-3-11(20)4-12(10)21)5-14(29)26-18(15)28(27-9)19-16-17(23-7-22-16)24-8-25-19/h2-4,7-8,13H,5-6H2,1H3,(H,26,29)(H,22,23,24,25)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation in presence of ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Mus musculus)		BDBM50232401
PNG
(CHEMBL4077818)
Show SMILES Cc1nn(c2NC(=O)CC(c12)c1ccc(F)cc1Cl)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C18H13ClFN7O/c1-8-14-11(10-3-2-9(20)4-12(10)19)5-13(28)25-17(14)27(26-8)18-15-16(22-6-21-15)23-7-24-18/h2-4,6-7,11H,5H2,1H3,(H,25,28)(H,21,22,23,24)
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n/an/an/an/a 5n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation in presence of ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232369
PNG
(CHEMBL4066831)
Show SMILES Cc1nn(c2NC(=O)CC(c12)c1ccc(F)cc1F)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C18H13F2N7O/c1-8-14-11(10-3-2-9(19)4-12(10)20)5-13(28)25-17(14)27(26-8)18-15-16(22-6-21-15)23-7-24-18/h2-4,6-7,11H,5H2,1H3,(H,25,28)(H,21,22,23,24)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation measured after ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232378
PNG
(CHEMBL4104470)
Show SMILES Cc1nn(c2NC(=O)CC(OCc3ccccc3C#N)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C20H16N8O2/c1-11-16-14(30-8-13-5-3-2-4-12(13)7-21)6-15(29)26-19(16)28(27-11)20-17-18(23-9-22-17)24-10-25-20/h2-5,9-10,14H,6,8H2,1H3,(H,26,29)(H,22,23,24,25)
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n/an/an/an/a 8n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation in presence of ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232379
PNG
(CHEMBL4096749)
Show SMILES Cc1nn(c2NC(=O)CC(OCCn3cccn3)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C17H17N9O2/c1-10-13-11(28-6-5-25-4-2-3-22-25)7-12(27)23-16(13)26(24-10)17-14-15(19-8-18-14)20-9-21-17/h2-4,8-9,11H,5-7H2,1H3,(H,23,27)(H,18,19,20,21)
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n/an/an/an/a 16n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation in presence of ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232374
PNG
(CHEMBL4083614)
Show SMILES Cc1nn(c2NC(=O)CC(OCc3ccccc3Cl)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C19H16ClN7O2/c1-10-15-13(29-7-11-4-2-3-5-12(11)20)6-14(28)25-18(15)27(26-10)19-16-17(22-8-21-16)23-9-24-19/h2-5,8-9,13H,6-7H2,1H3,(H,25,28)(H,21,22,23,24)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation measured after ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232392
PNG
(CHEMBL4098394)
Show SMILES Cc1nn(c2NC(=O)CC(NC(=O)Cc3ccccc3)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C20H18N8O2/c1-11-16-13(25-14(29)7-12-5-3-2-4-6-12)8-15(30)26-19(16)28(27-11)20-17-18(22-9-21-17)23-10-24-20/h2-6,9-10,13H,7-8H2,1H3,(H,25,29)(H,26,30)(H,21,22,23,24)
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n/an/an/an/a 418n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation measured after ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232390
PNG
(CHEMBL4086570)
Show SMILES Cc1ccnn1CCOC1CC(=O)Nc2c1c(C)nn2-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C18H19N9O2/c1-10-3-4-23-26(10)5-6-29-12-7-13(28)24-17-14(12)11(2)25-27(17)18-15-16(20-8-19-15)21-9-22-18/h3-4,8-9,12H,5-7H2,1-2H3,(H,24,28)(H,19,20,21,22)
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n/an/an/an/a 10n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation in presence of ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232379
PNG
(CHEMBL4096749)
Show SMILES Cc1nn(c2NC(=O)CC(OCCn3cccn3)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C17H17N9O2/c1-10-13-11(28-6-5-25-4-2-3-22-25)7-12(27)23-16(13)26(24-10)17-14-15(19-8-18-14)20-9-21-17/h2-4,8-9,11H,5-7H2,1H3,(H,23,27)(H,18,19,20,21)
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n/an/an/an/a 2.27E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation measured after ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232366
PNG
(CHEMBL4065636)
Show SMILES Cc1nn(c2NC(=O)CC(c12)c1ccc(COc2cccc(Cl)c2)cc1)-c1nc(C)cc(C)n1
Show InChI InChI=1S/C26H24ClN5O2/c1-15-11-16(2)29-26(28-15)32-25-24(17(3)31-32)22(13-23(33)30-25)19-9-7-18(8-10-19)14-34-21-6-4-5-20(27)12-21/h4-12,22H,13-14H2,1-3H3,(H,30,33)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation measured after ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232371
PNG
(CHEMBL4099134)
Show SMILES Cc1nn(c2NC(=O)CC(OCCc3ccccc3)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C20H19N7O2/c1-12-16-14(29-8-7-13-5-3-2-4-6-13)9-15(28)25-19(16)27(26-12)20-17-18(22-10-21-17)23-11-24-20/h2-6,10-11,14H,7-9H2,1H3,(H,25,28)(H,21,22,23,24)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation in presence of ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232373
PNG
(CHEMBL4101617)
Show SMILES Cc1nn(c2NC(=O)CC(OCC(=O)c3ccc(F)cc3)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C20H16FN7O3/c1-10-16-14(31-7-13(29)11-2-4-12(21)5-3-11)6-15(30)26-19(16)28(27-10)20-17-18(23-8-22-17)24-9-25-20/h2-5,8-9,14H,6-7H2,1H3,(H,26,30)(H,22,23,24,25)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation in presence of ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232380
PNG
(CHEMBL4078723)
Show SMILES Cc1cc(C)n(CCOC2CC(=O)Nc3c2c(C)nn3-c2ncnc3nc[nH]c23)n1
Show InChI InChI=1S/C19H21N9O2/c1-10-6-11(2)27(25-10)4-5-30-13-7-14(29)24-18-15(13)12(3)26-28(18)19-16-17(21-8-20-16)22-9-23-19/h6,8-9,13H,4-5,7H2,1-3H3,(H,24,29)(H,20,21,22,23)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation in presence of ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232384
PNG
(CHEMBL4071347)
Show SMILES Cc1nn(c2NC(=O)CC(NC(=O)Cc3cccs3)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C18H16N8O2S/c1-9-14-11(23-12(27)5-10-3-2-4-29-10)6-13(28)24-17(14)26(25-9)18-15-16(20-7-19-15)21-8-22-18/h2-4,7-8,11H,5-6H2,1H3,(H,23,27)(H,24,28)(H,19,20,21,22)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation in presence of ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232396
PNG
(CHEMBL4104345)
Show SMILES Cc1nn(c2NC(=O)CC(OC3CCCC3)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C17H19N7O2/c1-9-13-11(26-10-4-2-3-5-10)6-12(25)22-16(13)24(23-9)17-14-15(19-7-18-14)20-8-21-17/h7-8,10-11H,2-6H2,1H3,(H,22,25)(H,18,19,20,21)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation measured after ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232397
PNG
(CHEMBL3198662)
Show SMILES OCC(O)\C=N\Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1
Show InChI InChI=1S/C18H19N7O2/c26-12-15(27)11-19-25-18-23-16(20-13-7-3-1-4-8-13)22-17(24-18)21-14-9-5-2-6-10-14/h1-11,15,26-27H,12H2,(H3,20,21,22,23,24,25)/b19-11+
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University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation in presence of ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Mus musculus)		BDBM50232401
PNG
(CHEMBL4077818)
Show SMILES Cc1nn(c2NC(=O)CC(c12)c1ccc(F)cc1Cl)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C18H13ClFN7O/c1-8-14-11(10-3-2-9(20)4-12(10)19)5-13(28)25-17(14)27(26-8)18-15-16(22-6-21-15)23-7-24-18/h2-4,6-7,11H,5H2,1H3,(H,25,28)(H,21,22,23,24)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation measured after ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232402
PNG
(CHEMBL4072160)
Show SMILES Cc1nn(c2NC(=O)CC(OCc3ccc(F)cc3)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C19H16FN7O2/c1-10-15-13(29-7-11-2-4-12(20)5-3-11)6-14(28)25-18(15)27(26-10)19-16-17(22-8-21-16)23-9-24-19/h2-5,8-9,13H,6-7H2,1H3,(H,25,28)(H,21,22,23,24)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation in presence of ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232384
PNG
(CHEMBL4071347)
Show SMILES Cc1nn(c2NC(=O)CC(NC(=O)Cc3cccs3)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C18H16N8O2S/c1-9-14-11(23-12(27)5-10-3-2-4-29-10)6-13(28)24-17(14)26(25-9)18-15-16(20-7-19-15)21-8-22-18/h2-4,7-8,11H,5-6H2,1H3,(H,23,27)(H,24,28)(H,19,20,21,22)
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n/an/an/an/a 244n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation measured after ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232365
PNG
(CHEMBL4087979)
Show SMILES CCCCCCCCOC1CC(=O)Nc2c1c(C)nn2-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C20H27N7O2/c1-3-4-5-6-7-8-9-29-14-10-15(28)25-19-16(14)13(2)26-27(19)20-17-18(22-11-21-17)23-12-24-20/h11-12,14H,3-10H2,1-2H3,(H,25,28)(H,21,22,23,24)
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n/an/an/an/a 388n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation measured after ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232368
PNG
(CHEMBL4095849)
Show SMILES Cc1nn(c2NC(=O)CC(c12)c1ccc(F)cc1F)-c1nc(C)cc(C)n1
Show InChI InChI=1S/C19H17F2N5O/c1-9-6-10(2)23-19(22-9)26-18-17(11(3)25-26)14(8-16(27)24-18)13-5-4-12(20)7-15(13)21/h4-7,14H,8H2,1-3H3,(H,24,27)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation measured after ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232372
PNG
(CHEMBL4063554)
Show SMILES Cc1nn(c2NC(=O)CC(OC(=O)c3ccc(F)cc3)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C19H14FN7O3/c1-9-14-12(30-19(29)10-2-4-11(20)5-3-10)6-13(28)25-17(14)27(26-9)18-15-16(22-7-21-15)23-8-24-18/h2-5,7-8,12H,6H2,1H3,(H,25,28)(H,21,22,23,24)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation in presence of ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232375
PNG
(CHEMBL4089047)
Show SMILES COc1ccc(CCOC2CC(=O)Nc3c2c(C)nn3-c2ncnc3nc[nH]c23)cc1
Show InChI InChI=1S/C21H21N7O3/c1-12-17-15(31-8-7-13-3-5-14(30-2)6-4-13)9-16(29)26-20(17)28(27-12)21-18-19(23-10-22-18)24-11-25-21/h3-6,10-11,15H,7-9H2,1-2H3,(H,26,29)(H,22,23,24,25)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation in presence of ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232377
PNG
(CHEMBL4105417)
Show SMILES Cc1noc(C)c1COC1CC(=O)Nc2c1c(C)nn2-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C18H18N8O3/c1-8-11(10(3)29-25-8)5-28-12-4-13(27)23-17-14(12)9(2)24-26(17)18-15-16(20-6-19-15)21-7-22-18/h6-7,12H,4-5H2,1-3H3,(H,23,27)(H,19,20,21,22)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation in presence of ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232382
PNG
(CHEMBL4090669)
Show SMILES CCC(C(=O)NC1CC(=O)Nc2c1c(C)nn2-c1ncnc2nc[nH]c12)c1ccccc1
Show InChI InChI=1S/C22H22N8O2/c1-3-14(13-7-5-4-6-8-13)22(32)27-15-9-16(31)28-20-17(15)12(2)29-30(20)21-18-19(24-10-23-18)25-11-26-21/h4-8,10-11,14-15H,3,9H2,1-2H3,(H,27,32)(H,28,31)(H,23,24,25,26)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation in presence of ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232385
PNG
(CHEMBL4059978)
Show SMILES Cc1nn(c2NC(=O)CC(C(=O)NCc3ccc(F)cc3)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C20H17FN8O2/c1-10-15-13(20(31)22-7-11-2-4-12(21)5-3-11)6-14(30)27-18(15)29(28-10)19-16-17(24-8-23-16)25-9-26-19/h2-5,8-9,13H,6-7H2,1H3,(H,22,31)(H,27,30)(H,23,24,25,26)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation in presence of ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232388
PNG
(CHEMBL4101801)
Show SMILES CN(C(=O)C1CC(=O)Nc2c1c(C)nn2-c1ncnc2nc[nH]c12)c1nccs1
Show InChI InChI=1S/C17H15N9O2S/c1-8-11-9(16(28)25(2)17-18-3-4-29-17)5-10(27)23-14(11)26(24-8)15-12-13(20-6-19-12)21-7-22-15/h3-4,6-7,9H,5H2,1-2H3,(H,23,27)(H,19,20,21,22)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation in presence of ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232372
PNG
(CHEMBL4063554)
Show SMILES Cc1nn(c2NC(=O)CC(OC(=O)c3ccc(F)cc3)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C19H14FN7O3/c1-9-14-12(30-19(29)10-2-4-11(20)5-3-10)6-13(28)25-17(14)27(26-9)18-15-16(22-7-21-15)23-8-24-18/h2-5,7-8,12H,6H2,1H3,(H,25,28)(H,21,22,23,24)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation measured after ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232380
PNG
(CHEMBL4078723)
Show SMILES Cc1cc(C)n(CCOC2CC(=O)Nc3c2c(C)nn3-c2ncnc3nc[nH]c23)n1
Show InChI InChI=1S/C19H21N9O2/c1-10-6-11(2)27(25-10)4-5-30-13-7-14(29)24-18-15(13)12(3)26-28(18)19-16-17(21-8-20-16)22-9-23-19/h6,8-9,13H,4-5,7H2,1-3H3,(H,24,29)(H,20,21,22,23)
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n/an/an/an/a 2.00E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation measured after ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232395
PNG
(CHEMBL4080106)
Show SMILES CC(C)COC1CC(=O)Nc2c1c(C)nn2-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C16H19N7O2/c1-8(2)5-25-10-4-11(24)21-15-12(10)9(3)22-23(15)16-13-14(18-6-17-13)19-7-20-16/h6-8,10H,4-5H2,1-3H3,(H,21,24)(H,17,18,19,20)
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n/an/an/an/a 111n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation measured after ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232398
PNG
(CHEMBL4060705)
Show SMILES C\C(=N/NC(=O)c1cc2ccccc2cc1O)c1ccc(N)cc1
Show InChI InChI=1S/C19H17N3O2/c1-12(13-6-8-16(20)9-7-13)21-22-19(24)17-10-14-4-2-3-5-15(14)11-18(17)23/h2-11,23H,20H2,1H3,(H,22,24)/b21-12+
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n/an/an/an/a 1.10E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation in presence of ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232392
PNG
(CHEMBL4098394)
Show SMILES Cc1nn(c2NC(=O)CC(NC(=O)Cc3ccccc3)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C20H18N8O2/c1-11-16-13(25-14(29)7-12-5-3-2-4-6-12)8-15(30)26-19(16)28(27-11)20-17-18(22-9-21-17)23-10-24-20/h2-6,9-10,13H,7-8H2,1H3,(H,25,29)(H,26,30)(H,21,22,23,24)
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n/an/an/an/a 3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation in presence of ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232402
PNG
(CHEMBL4072160)
Show SMILES Cc1nn(c2NC(=O)CC(OCc3ccc(F)cc3)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C19H16FN7O2/c1-10-15-13(29-7-11-2-4-12(20)5-3-11)6-14(28)25-18(15)27(26-10)19-16-17(22-8-21-16)23-9-24-19/h2-5,8-9,13H,6-7H2,1H3,(H,25,28)(H,21,22,23,24)
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n/an/an/an/a 126n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation measured after ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232376
PNG
(CHEMBL4081167)
Show SMILES CC(C)c1ccc(COC2CC(=O)Nc3c2c(C)nn3-c2ncnc3nc[nH]c23)cc1
Show InChI InChI=1S/C22H23N7O2/c1-12(2)15-6-4-14(5-7-15)9-31-16-8-17(30)27-21-18(16)13(3)28-29(21)22-19-20(24-10-23-19)25-11-26-22/h4-7,10-12,16H,8-9H2,1-3H3,(H,27,30)(H,23,24,25,26)
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n/an/an/an/a 5n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation in presence of ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232381
PNG
(CHEMBL4082109)
Show SMILES Cc1nn(c2NC(=O)CC(OCc3ccccc3F)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C19H16FN7O2/c1-10-15-13(29-7-11-4-2-3-5-12(11)20)6-14(28)25-18(15)27(26-10)19-16-17(22-8-21-16)23-9-24-19/h2-5,8-9,13H,6-7H2,1H3,(H,25,28)(H,21,22,23,24)
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n/an/an/an/a 4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation in presence of ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232378
PNG
(CHEMBL4104470)
Show SMILES Cc1nn(c2NC(=O)CC(OCc3ccccc3C#N)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C20H16N8O2/c1-11-16-14(30-8-13-5-3-2-4-12(13)7-21)6-15(29)26-19(16)28(27-11)20-17-18(23-9-22-17)24-10-25-20/h2-5,9-10,14H,6,8H2,1H3,(H,26,29)(H,22,23,24,25)
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n/an/an/an/a 127n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation measured after ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232381
PNG
(CHEMBL4082109)
Show SMILES Cc1nn(c2NC(=O)CC(OCc3ccccc3F)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C19H16FN7O2/c1-10-15-13(29-7-11-4-2-3-5-12(11)20)6-14(28)25-18(15)27(26-10)19-16-17(22-8-21-16)23-9-24-19/h2-5,8-9,13H,6-7H2,1H3,(H,25,28)(H,21,22,23,24)
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n/an/an/an/a 78n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation measured after ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232400
PNG
(CHEMBL4093427)
Show SMILES OCCCN\C=C1\C(=O)N(N=C1c1ccccc1)c1nc2ccccc2s1 |c:10|
Show InChI InChI=1S/C20H18N4O2S/c25-12-6-11-21-13-15-18(14-7-2-1-3-8-14)23-24(19(15)26)20-22-16-9-4-5-10-17(16)27-20/h1-5,7-10,13,21,25H,6,11-12H2/b15-13+
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n/an/an/an/a 200n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation in presence of ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232391
PNG
(CHEMBL4100119)
Show SMILES Cc1nn(c2NC(=O)CC(OCc3cc(F)cc4COCOc34)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C21H18FN7O4/c1-10-16-14(32-6-12-3-13(22)2-11-5-31-9-33-18(11)12)4-15(30)27-20(16)29(28-10)21-17-19(24-7-23-17)25-8-26-21/h2-3,7-8,14H,4-6,9H2,1H3,(H,27,30)(H,23,24,25,26)
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n/an/an/an/a 1.5n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation in presence of ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232393
PNG
(CHEMBL4081885)
Show SMILES Cc1nn(c2NC(=O)CC(C(=O)NCc3ccccc3)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C20H18N8O2/c1-11-15-13(20(30)21-8-12-5-3-2-4-6-12)7-14(29)26-18(15)28(27-11)19-16-17(23-9-22-16)24-10-25-19/h2-6,9-10,13H,7-8H2,1H3,(H,21,30)(H,26,29)(H,22,23,24,25)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation in presence of ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232365
PNG
(CHEMBL4087979)
Show SMILES CCCCCCCCOC1CC(=O)Nc2c1c(C)nn2-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C20H27N7O2/c1-3-4-5-6-7-8-9-29-14-10-15(28)25-19-16(14)13(2)26-27(19)20-17-18(22-11-21-17)23-12-24-20/h11-12,14H,3-10H2,1-2H3,(H,25,28)(H,21,22,23,24)
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n/an/an/an/a 8n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation in presence of ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232403
PNG
(CHEMBL4067834)
Show SMILES Cc1nn(c2NC(=O)CC(OCc3ccc(cc3)C#N)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C20H16N8O2/c1-11-16-14(30-8-13-4-2-12(7-21)3-5-13)6-15(29)26-19(16)28(27-11)20-17-18(23-9-22-17)24-10-25-20/h2-5,9-10,14H,6,8H2,1H3,(H,26,29)(H,22,23,24,25)
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n/an/an/an/a 60n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation measured after ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232382
PNG
(CHEMBL4090669)
Show SMILES CCC(C(=O)NC1CC(=O)Nc2c1c(C)nn2-c1ncnc2nc[nH]c12)c1ccccc1
Show InChI InChI=1S/C22H22N8O2/c1-3-14(13-7-5-4-6-8-13)22(32)27-15-9-16(31)28-20-17(15)12(2)29-30(20)21-18-19(24-10-23-18)25-11-26-21/h4-8,10-11,14-15H,3,9H2,1-2H3,(H,27,32)(H,28,31)(H,23,24,25,26)
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n/an/an/an/a 79n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation measured after ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232367
PNG
(CHEMBL4093273)
Show SMILES CC(C)Oc1ccc(cc1)C1CC(=O)Nc2c1c(C)nn2-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C21H21N7O2/c1-11(2)30-14-6-4-13(5-7-14)15-8-16(29)26-20-17(15)12(3)27-28(20)21-18-19(23-9-22-18)24-10-25-21/h4-7,9-11,15H,8H2,1-3H3,(H,26,29)(H,22,23,24,25)
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n/an/an/an/a 2.70E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation measured after ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232370
PNG
(CHEMBL4060772)
Show SMILES Cc1nn(c2NC(=O)CC(OC(=O)Cc3ccccc3)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C20H17N7O3/c1-11-16-13(30-15(29)7-12-5-3-2-4-6-12)8-14(28)25-19(16)27(26-11)20-17-18(22-9-21-17)23-10-24-20/h2-6,9-10,13H,7-8H2,1H3,(H,25,28)(H,21,22,23,24)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation in presence of ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232383
PNG
(CHEMBL4062704)
Show SMILES Cc1nn(c2NC(=O)CC(NC(=O)c3ccccc3)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C19H16N8O2/c1-10-14-12(24-19(29)11-5-3-2-4-6-11)7-13(28)25-17(14)27(26-10)18-15-16(21-8-20-15)22-9-23-18/h2-6,8-9,12H,7H2,1H3,(H,24,29)(H,25,28)(H,20,21,22,23)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation in presence of ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232391
PNG
(CHEMBL4100119)
Show SMILES Cc1nn(c2NC(=O)CC(OCc3cc(F)cc4COCOc34)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C21H18FN7O4/c1-10-16-14(32-6-12-3-13(22)2-11-5-31-9-33-18(11)12)4-15(30)27-20(16)29(28-10)21-17-19(24-7-23-17)25-8-26-21/h2-3,7-8,14H,4-6,9H2,1H3,(H,27,30)(H,23,24,25,26)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation measured after ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232394
PNG
(CHEMBL4075137)
Show SMILES Cc1nn(c2NC(=O)CC(C(=O)NCc3ccc4OCOc4c3)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C21H18N8O4/c1-10-16-12(21(31)22-6-11-2-3-13-14(4-11)33-9-32-13)5-15(30)27-19(16)29(28-10)20-17-18(24-7-23-17)25-8-26-20/h2-4,7-8,12H,5-6,9H2,1H3,(H,22,31)(H,27,30)(H,23,24,25,26)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation measured after ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232396
PNG
(CHEMBL4104345)
Show SMILES Cc1nn(c2NC(=O)CC(OC3CCCC3)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C17H19N7O2/c1-9-13-11(26-10-4-2-3-5-10)6-12(25)22-16(13)24(23-9)17-14-15(19-7-18-14)20-8-21-17/h7-8,10-11H,2-6H2,1H3,(H,22,25)(H,18,19,20,21)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation in presence of ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232391
PNG
(CHEMBL4100119)
Show SMILES Cc1nn(c2NC(=O)CC(OCc3cc(F)cc4COCOc34)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C21H18FN7O4/c1-10-16-14(32-6-12-3-13(22)2-11-5-31-9-33-18(11)12)4-15(30)27-20(16)29(28-10)21-17-19(24-7-23-17)25-8-26-21/h2-3,7-8,14H,4-6,9H2,1H3,(H,27,30)(H,23,24,25,26)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at GPR39 (unknown origin) expressed in COS7 cells co-expressing Galphas assessed as increase in intracellular cAMP level in presence...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232404
PNG
(CHEMBL4069386)
Show SMILES CC(C)(C)c1cc([nH]n1)C(=O)N\N=C\c1ccc(O)cc1O
Show InChI InChI=1S/C15H18N4O3/c1-15(2,3)13-7-11(17-18-13)14(22)19-16-8-9-4-5-10(20)6-12(9)21/h4-8,20-21H,1-3H3,(H,17,18)(H,19,22)/b16-8+
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University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation in presence of ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232401
PNG
(CHEMBL4077818)
Show SMILES Cc1nn(c2NC(=O)CC(c12)c1ccc(F)cc1Cl)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C18H13ClFN7O/c1-8-14-11(10-3-2-9(20)4-12(10)19)5-13(28)25-17(14)27(26-8)18-15-16(22-6-21-15)23-7-24-18/h2-4,6-7,11H,5H2,1H3,(H,25,28)(H,21,22,23,24)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation in presence of ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232388
PNG
(CHEMBL4101801)
Show SMILES CN(C(=O)C1CC(=O)Nc2c1c(C)nn2-c1ncnc2nc[nH]c12)c1nccs1
Show InChI InChI=1S/C17H15N9O2S/c1-8-11-9(16(28)25(2)17-18-3-4-29-17)5-10(27)23-14(11)26(24-8)15-12-13(20-6-19-12)21-7-22-15/h3-4,6-7,9H,5H2,1-2H3,(H,23,27)(H,19,20,21,22)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation measured after ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232371
PNG
(CHEMBL4099134)
Show SMILES Cc1nn(c2NC(=O)CC(OCCc3ccccc3)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C20H19N7O2/c1-12-16-14(29-8-7-13-5-3-2-4-6-13)9-15(28)25-19(16)27(26-12)20-17-18(22-10-21-17)23-11-24-20/h2-6,10-11,14H,7-9H2,1H3,(H,25,28)(H,21,22,23,24)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation measured after ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232385
PNG
(CHEMBL4059978)
Show SMILES Cc1nn(c2NC(=O)CC(C(=O)NCc3ccc(F)cc3)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C20H17FN8O2/c1-10-15-13(20(31)22-7-11-2-4-12(21)5-3-11)6-14(30)27-18(15)29(28-10)19-16-17(24-8-23-16)25-9-26-19/h2-5,8-9,13H,6-7H2,1H3,(H,22,31)(H,27,30)(H,23,24,25,26)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation measured after ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Mus musculus)		BDBM50232391
PNG
(CHEMBL4100119)
Show SMILES Cc1nn(c2NC(=O)CC(OCc3cc(F)cc4COCOc34)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C21H18FN7O4/c1-10-16-14(32-6-12-3-13(22)2-11-5-31-9-33-18(11)12)4-15(30)27-20(16)29(28-10)21-17-19(24-7-23-17)25-8-26-21/h2-3,7-8,14H,4-6,9H2,1H3,(H,27,30)(H,23,24,25,26)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation in presence of ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232401
PNG
(CHEMBL4077818)
Show SMILES Cc1nn(c2NC(=O)CC(c12)c1ccc(F)cc1Cl)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C18H13ClFN7O/c1-8-14-11(10-3-2-9(20)4-12(10)19)5-13(28)25-17(14)27(26-8)18-15-16(22-6-21-15)23-7-24-18/h2-4,6-7,11H,5H2,1H3,(H,25,28)(H,21,22,23,24)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at GPR39 (unknown origin) expressed in COS7 cells co-expressing Galphas assessed as increase in intracellular cAMP level in presence...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232394
PNG
(CHEMBL4075137)
Show SMILES Cc1nn(c2NC(=O)CC(C(=O)NCc3ccc4OCOc4c3)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C21H18N8O4/c1-10-16-12(21(31)22-6-11-2-3-13-14(4-11)33-9-32-13)5-15(30)27-19(16)29(28-10)20-17-18(24-7-23-17)25-8-26-20/h2-4,7-8,12H,5-6,9H2,1H3,(H,22,31)(H,27,30)(H,23,24,25,26)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation in presence of ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232387
PNG
(CHEMBL4089753)
Show SMILES CN(C(=O)C1CC(=O)Nc2c1c(C)nn2-c1ncnc2nc[nH]c12)c1ccccc1
Show InChI InChI=1S/C20H18N8O2/c1-11-15-13(20(30)27(2)12-6-4-3-5-7-12)8-14(29)25-18(15)28(26-11)19-16-17(22-9-21-16)23-10-24-19/h3-7,9-10,13H,8H2,1-2H3,(H,25,29)(H,21,22,23,24)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation in presence of ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232370
PNG
(CHEMBL4060772)
Show SMILES Cc1nn(c2NC(=O)CC(OC(=O)Cc3ccccc3)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C20H17N7O3/c1-11-16-13(30-15(29)7-12-5-3-2-4-6-12)8-14(28)25-19(16)27(26-11)20-17-18(22-9-21-17)23-10-24-20/h2-6,9-10,13H,7-8H2,1H3,(H,25,28)(H,21,22,23,24)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation measured after ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232390
PNG
(CHEMBL4086570)
Show SMILES Cc1ccnn1CCOC1CC(=O)Nc2c1c(C)nn2-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C18H19N9O2/c1-10-3-4-23-26(10)5-6-29-12-7-13(28)24-17-14(12)11(2)25-27(17)18-15-16(20-8-19-15)21-9-22-18/h3-4,8-9,12H,5-7H2,1-2H3,(H,24,28)(H,19,20,21,22)
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n/an/an/an/a 1.62E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation measured after ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232387
PNG
(CHEMBL4089753)
Show SMILES CN(C(=O)C1CC(=O)Nc2c1c(C)nn2-c1ncnc2nc[nH]c12)c1ccccc1
Show InChI InChI=1S/C20H18N8O2/c1-11-15-13(20(30)27(2)12-6-4-3-5-7-12)8-14(29)25-18(15)28(26-11)19-16-17(22-9-21-16)23-10-24-19/h3-7,9-10,13H,8H2,1-2H3,(H,25,29)(H,21,22,23,24)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation measured after ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232367
PNG
(CHEMBL4093273)
Show SMILES CC(C)Oc1ccc(cc1)C1CC(=O)Nc2c1c(C)nn2-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C21H21N7O2/c1-11(2)30-14-6-4-13(5-7-14)15-8-16(29)26-20-17(15)12(3)27-28(20)21-18-19(23-9-22-18)24-10-25-21/h4-7,9-11,15H,8H2,1-3H3,(H,26,29)(H,22,23,24,25)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation in presence of ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Mus musculus)		BDBM50232367
PNG
(CHEMBL4093273)
Show SMILES CC(C)Oc1ccc(cc1)C1CC(=O)Nc2c1c(C)nn2-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C21H21N7O2/c1-11(2)30-14-6-4-13(5-7-14)15-8-16(29)26-20-17(15)12(3)27-28(20)21-18-19(23-9-22-18)24-10-25-21/h4-7,9-11,15H,8H2,1-3H3,(H,26,29)(H,22,23,24,25)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation measured after ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232403
PNG
(CHEMBL4067834)
Show SMILES Cc1nn(c2NC(=O)CC(OCc3ccc(cc3)C#N)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C20H16N8O2/c1-11-16-14(30-8-13-4-2-12(7-21)3-5-13)6-15(29)26-19(16)28(27-11)20-17-18(23-9-22-17)24-10-25-20/h2-5,9-10,14H,6,8H2,1H3,(H,26,29)(H,22,23,24,25)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation in presence of ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50232373
PNG
(CHEMBL4101617)
Show SMILES Cc1nn(c2NC(=O)CC(OCC(=O)c3ccc(F)cc3)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C20H16FN7O3/c1-10-16-14(31-7-13(29)11-2-4-12(21)5-3-11)6-15(30)26-19(16)28(27-10)20-17-18(23-8-22-17)24-9-25-20/h2-5,8-9,14H,6-7H2,1H3,(H,26,30)(H,22,23,24,25)
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n/an/an/an/a 973n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation measured after ...

J Med Chem 60: 886-898 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00648
BindingDB Entry DOI: 10.7270/Q2VT1VBV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%