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Compile Data Set for Download or QSAR

Found 138 hits Enz. Inhib. hit(s) with Target = 'G-protein coupled receptor 39'   
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))
BDBM50030788
PNG
(CHEMBL3342358)
Show SMILES CNc1nc(NCc2ccc(NS(C)(=O)=O)cc2Cl)cc(n1)-c1ccccn1
Show InChI InChI=1S/C18H19ClN6O2S/c1-20-18-23-16(15-5-3-4-8-21-15)10-17(24-18)22-11-12-6-7-13(9-14(12)19)25-28(2,26)27/h3-10,25H,11H2,1-2H3,(H2,20,22,23,24)
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n/an/an/an/a 0.0600n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells by cAMP assay


ACS Med Chem Lett 5: 1114-8 (2014)


Article DOI: 10.1021/ml500240d
BindingDB Entry DOI: 10.7270/Q2MC91MW
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))
BDBM50030777
PNG
(CHEMBL3342376)
Show SMILES CNc1nc(NCc2ccc(NS(C)(=O)=O)cc2)cc(n1)-c1ccccn1
Show InChI InChI=1S/C18H20N6O2S/c1-19-18-22-16(15-5-3-4-10-20-15)11-17(23-18)21-12-13-6-8-14(9-7-13)24-27(2,25)26/h3-11,24H,12H2,1-2H3,(H2,19,21,22,23)
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n/an/an/an/a 0.180n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells by cAMP assay


ACS Med Chem Lett 5: 1114-8 (2014)


Article DOI: 10.1021/ml500240d
BindingDB Entry DOI: 10.7270/Q2MC91MW
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))
BDBM50030774
PNG
(CHEMBL3342379)
Show SMILES CNc1nc(NCc2ccc(NC(C)=O)cc2F)cc(n1)-c1ccccn1
Show InChI InChI=1S/C19H19FN6O/c1-12(27)24-14-7-6-13(15(20)9-14)11-23-18-10-17(25-19(21-2)26-18)16-5-3-4-8-22-16/h3-10H,11H2,1-2H3,(H,24,27)(H2,21,23,25,26)
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n/an/an/an/a 0.350n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells by cAMP assay


ACS Med Chem Lett 5: 1114-8 (2014)


Article DOI: 10.1021/ml500240d
BindingDB Entry DOI: 10.7270/Q2MC91MW
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Mus musculus)
BDBM50030783
PNG
(CHEMBL3342370)
Show SMILES CNc1nc(NCc2ccc(Cl)cc2Cl)cc(n1)-c1ccccn1
Show InChI InChI=1S/C17H15Cl2N5/c1-20-17-23-15(14-4-2-3-7-21-14)9-16(24-17)22-10-11-5-6-12(18)8-13(11)19/h2-9H,10H2,1H3,(H2,20,22,23,24)
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n/an/an/an/a 0.5n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR39 expressed in HEK293 cells by IP1 assay


ACS Med Chem Lett 5: 1114-8 (2014)


Article DOI: 10.1021/ml500240d
BindingDB Entry DOI: 10.7270/Q2MC91MW
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))
BDBM50030776
PNG
(CHEMBL3342377)
Show SMILES CNc1nc(NCc2ccc(NC(C)=O)cc2)cc(n1)-c1ccccn1
Show InChI InChI=1S/C19H20N6O/c1-13(26)23-15-8-6-14(7-9-15)12-22-18-11-17(24-19(20-2)25-18)16-5-3-4-10-21-16/h3-11H,12H2,1-2H3,(H,23,26)(H2,20,22,24,25)
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n/an/an/an/a 0.550n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells by cAMP assay


ACS Med Chem Lett 5: 1114-8 (2014)


Article DOI: 10.1021/ml500240d
BindingDB Entry DOI: 10.7270/Q2MC91MW
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))
BDBM50030788
PNG
(CHEMBL3342358)
Show SMILES CNc1nc(NCc2ccc(NS(C)(=O)=O)cc2Cl)cc(n1)-c1ccccn1
Show InChI InChI=1S/C18H19ClN6O2S/c1-20-18-23-16(15-5-3-4-8-21-15)10-17(24-18)22-11-12-6-7-13(9-14(12)19)25-28(2,26)27/h3-10,25H,11H2,1-2H3,(H2,20,22,23,24)
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n/an/an/an/a 0.800n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells by IP1 assay


ACS Med Chem Lett 5: 1114-8 (2014)


Article DOI: 10.1021/ml500240d
BindingDB Entry DOI: 10.7270/Q2MC91MW
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))
BDBM50030783
PNG
(CHEMBL3342370)
Show SMILES CNc1nc(NCc2ccc(Cl)cc2Cl)cc(n1)-c1ccccn1
Show InChI InChI=1S/C17H15Cl2N5/c1-20-17-23-15(14-4-2-3-7-21-14)9-16(24-17)22-10-11-5-6-12(18)8-13(11)19/h2-9H,10H2,1H3,(H2,20,22,23,24)
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n/an/an/an/a 0.800n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells by IP1 assay


ACS Med Chem Lett 5: 1114-8 (2014)


Article DOI: 10.1021/ml500240d
BindingDB Entry DOI: 10.7270/Q2MC91MW
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))
BDBM50030788
PNG
(CHEMBL3342358)
Show SMILES CNc1nc(NCc2ccc(NS(C)(=O)=O)cc2Cl)cc(n1)-c1ccccn1
Show InChI InChI=1S/C18H19ClN6O2S/c1-20-18-23-16(15-5-3-4-8-21-15)10-17(24-18)22-11-12-6-7-13(9-14(12)19)25-28(2,26)27/h3-10,25H,11H2,1-2H3,(H2,20,22,23,24)
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n/an/an/an/a 0.800n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 by IP1 assay


ACS Med Chem Lett 5: 1114-8 (2014)


Article DOI: 10.1021/ml500240d
BindingDB Entry DOI: 10.7270/Q2MC91MW
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=1/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 1n/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))
BDBM50030774
PNG
(CHEMBL3342379)
Show SMILES CNc1nc(NCc2ccc(NC(C)=O)cc2F)cc(n1)-c1ccccn1
Show InChI InChI=1S/C19H19FN6O/c1-12(27)24-14-7-6-13(15(20)9-14)11-23-18-10-17(25-19(21-2)26-18)16-5-3-4-8-22-16/h3-10H,11H2,1-2H3,(H,24,27)(H2,21,23,25,26)
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n/an/an/an/a 1n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells by IP1 assay


ACS Med Chem Lett 5: 1114-8 (2014)


Article DOI: 10.1021/ml500240d
BindingDB Entry DOI: 10.7270/Q2MC91MW
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Mus musculus)
BDBM50030782
PNG
(CHEMBL3342371)
Show SMILES FC(F)(F)CNc1nc(NCc2ccc(Cl)cc2)cc(n1)-c1ccccn1
Show InChI InChI=1S/C18H15ClF3N5/c19-13-6-4-12(5-7-13)10-24-16-9-15(14-3-1-2-8-23-14)26-17(27-16)25-11-18(20,21)22/h1-9H,10-11H2,(H2,24,25,26,27)
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n/an/an/an/a 1n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR39 expressed in HEK293 cells by IP1 assay


ACS Med Chem Lett 5: 1114-8 (2014)


Article DOI: 10.1021/ml500240d
BindingDB Entry DOI: 10.7270/Q2MC91MW
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=1/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))
BDBM50232396
PNG
(CHEMBL4104345)
Show SMILES Cc1nn(c2NC(=O)CC(OC3CCCC3)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1/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))
BDBM50232374
PNG
(CHEMBL4083614)
Show SMILES Cc1nn(c2NC(=O)CC(OCc3ccccc3Cl)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1/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


(Mus musculus)
BDBM50030776
PNG
(CHEMBL3342377)
Show SMILES CNc1nc(NCc2ccc(NC(C)=O)cc2)cc(n1)-c1ccccn1
Show InChI InChI=1S/C19H20N6O/c1-13(26)23-15-8-6-14(7-9-15)12-22-18-11-17(24-19(20-2)25-18)16-5-3-4-10-21-16/h3-11H,12H2,1-2H3,(H,23,26)(H2,20,22,24,25)
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n/an/an/an/a 2n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR39 expressed in HEK293 cells by IP1 assay


ACS Med Chem Lett 5: 1114-8 (2014)


Article DOI: 10.1021/ml500240d
BindingDB Entry DOI: 10.7270/Q2MC91MW
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=1/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 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


(Mus musculus)
BDBM50232391
PNG
(CHEMBL4100119)
Show SMILES Cc1nn(c2NC(=O)CC(OCc3cc(F)cc4COCOc34)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1/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 2.60n/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))
BDBM50232392
PNG
(CHEMBL4098394)
Show SMILES Cc1nn(c2NC(=O)CC(NC(=O)Cc3ccccc3)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1/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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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))
BDBM50030777
PNG
(CHEMBL3342376)
Show SMILES CNc1nc(NCc2ccc(NS(C)(=O)=O)cc2)cc(n1)-c1ccccn1
Show InChI InChI=1S/C18H20N6O2S/c1-19-18-22-16(15-5-3-4-10-20-15)11-17(23-18)21-12-13-6-8-14(9-7-13)24-27(2,25)26/h3-11,24H,12H2,1-2H3,(H2,19,21,22,23)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells by IP1 assay


ACS Med Chem Lett 5: 1114-8 (2014)


Article DOI: 10.1021/ml500240d
BindingDB Entry DOI: 10.7270/Q2MC91MW
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Mus musculus)
BDBM50030789
PNG
(CHEMBL3341764)
Show SMILES Fc1cccc(c1)S(=O)(=O)NC[C@H]1CC[C@H](CNc2cc(nc(NC3CC3)n2)-c2ccccn2)CC1
Show InChI InChI=1/C26H31FN6O2S/c27-20-4-3-5-22(14-20)36(34,35)30-17-19-9-7-18(8-10-19)16-29-25-15-24(23-6-1-2-13-28-23)32-26(33-25)31-21-11-12-21/h1-6,13-15,18-19,21,30H,7-12,16-17H2,(H2,29,31,32,33)/t18-,19-
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR39 by IP1 assay


ACS Med Chem Lett 5: 1114-8 (2014)


Article DOI: 10.1021/ml500240d
BindingDB Entry DOI: 10.7270/Q2MC91MW
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Mus musculus)
BDBM50030786
PNG
(CHEMBL3342367)
Show SMILES CNc1nc(NCc2ccc(Cl)cc2)cc(n1)-c1ccccn1
Show InChI InChI=1S/C17H16ClN5/c1-19-17-22-15(14-4-2-3-9-20-14)10-16(23-17)21-11-12-5-7-13(18)8-6-12/h2-10H,11H2,1H3,(H2,19,21,22,23)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR39 expressed in HEK293 cells by IP1 assay


ACS Med Chem Lett 5: 1114-8 (2014)


Article DOI: 10.1021/ml500240d
BindingDB Entry DOI: 10.7270/Q2MC91MW
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=1/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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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))
BDBM50232373
PNG
(CHEMBL4101617)
Show SMILES Cc1nn(c2NC(=O)CC(OCC(=O)c3ccc(F)cc3)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1/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 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))
BDBM50232383
PNG
(CHEMBL4062704)
Show SMILES Cc1nn(c2NC(=O)CC(NC(=O)c3ccccc3)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1/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 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))
BDBM50232384
PNG
(CHEMBL4071347)
Show SMILES Cc1nn(c2NC(=O)CC(NC(=O)Cc3cccs3)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1/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 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))
BDBM16
PNG
(Zn2+ | zinc(2+) ion)
Show InChI InChI=1S/Zn/q+2
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n/an/an/an/a 3.60n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells by cAMP assay


ACS Med Chem Lett 5: 1114-8 (2014)


Article DOI: 10.1021/ml500240d
BindingDB Entry DOI: 10.7270/Q2MC91MW
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=1/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 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))
BDBM50232389
PNG
(CHEMBL4091396)
Show SMILES Cc1nn(c2NC(=O)CC(OCc3ccc(Cl)cc3Cl)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1/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 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))
BDBM50232395
PNG
(CHEMBL4080106)
Show SMILES CC(C)COC1CC(=O)Nc2c1c(C)nn2-c1ncnc2nc[nH]c12
Show InChI InChI=1/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))
BDBM50232385
PNG
(CHEMBL4059978)
Show SMILES Cc1nn(c2NC(=O)CC(C(=O)NCc3ccc(F)cc3)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1/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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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))
BDBM50232381
PNG
(CHEMBL4082109)
Show SMILES Cc1nn(c2NC(=O)CC(OCc3ccccc3F)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1/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))
BDBM50232372
PNG
(CHEMBL4063554)
Show SMILES Cc1nn(c2NC(=O)CC(OC(=O)c3ccc(F)cc3)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1/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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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


(Mus musculus)
BDBM50030790
PNG
(CHEMBL3342357)
Show SMILES Fc1cccc(c1)S(=O)(=O)NC[C@H]1CC[C@H](CNc2nc(NC3CC3)cc(n2)-c2ccccn2)CC1
Show InChI InChI=1/C26H31FN6O2S/c27-20-4-3-5-22(14-20)36(34,35)30-17-19-9-7-18(8-10-19)16-29-26-32-24(23-6-1-2-13-28-23)15-25(33-26)31-21-11-12-21/h1-6,13-15,18-19,21,30H,7-12,16-17H2,(H2,29,31,32,33)/t18-,19-
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n/an/an/an/a 4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR39 by IP1 assay


ACS Med Chem Lett 5: 1114-8 (2014)


Article DOI: 10.1021/ml500240d
BindingDB Entry DOI: 10.7270/Q2MC91MW
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))
BDBM50030776
PNG
(CHEMBL3342377)
Show SMILES CNc1nc(NCc2ccc(NC(C)=O)cc2)cc(n1)-c1ccccn1
Show InChI InChI=1S/C19H20N6O/c1-13(26)23-15-8-6-14(7-9-15)12-22-18-11-17(24-19(20-2)25-18)16-5-3-4-10-21-16/h3-11H,12H2,1-2H3,(H,23,26)(H2,20,22,24,25)
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n/an/an/an/a 5n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells by IP1 assay


ACS Med Chem Lett 5: 1114-8 (2014)


Article DOI: 10.1021/ml500240d
BindingDB Entry DOI: 10.7270/Q2MC91MW
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=1/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))
BDBM50232382
PNG
(CHEMBL4090669)
Show SMILES CCC(C(=O)NC1CC(=O)Nc2c1c(C)nn2-c1ncnc2nc[nH]c12)c1ccccc1
Show InChI InChI=1/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 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))
BDBM50232377
PNG
(CHEMBL4105417)
Show SMILES Cc1noc(C)c1COC1CC(=O)Nc2c1c(C)nn2-c1ncnc2nc[nH]c12
Show InChI InChI=1/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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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))
BDBM50232376
PNG
(CHEMBL4081167)
Show SMILES CC(C)c1ccc(COC2CC(=O)Nc3c2c(C)nn3-c2ncnc3nc[nH]c23)cc1
Show InChI InChI=1/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))
BDBM50232393
PNG
(CHEMBL4081885)
Show SMILES Cc1nn(c2NC(=O)CC(C(=O)NCc3ccccc3)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1/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 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))
BDBM50232370
PNG
(CHEMBL4060772)
Show SMILES Cc1nn(c2NC(=O)CC(OC(=O)Cc3ccccc3)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1/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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n/an/an/an/a 6n/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


(Mus musculus)
BDBM50030779
PNG
(CHEMBL3342374)
Show SMILES CNc1nc(NCc2ccc(OC(F)(F)F)cc2)cc(n1)-c1ccccn1
Show InChI InChI=1S/C18H16F3N5O/c1-22-17-25-15(14-4-2-3-9-23-14)10-16(26-17)24-11-12-5-7-13(8-6-12)27-18(19,20)21/h2-10H,11H2,1H3,(H2,22,24,25,26)
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n/an/an/an/a 7n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR39 expressed in HEK293 cells by IP1 assay


ACS Med Chem Lett 5: 1114-8 (2014)


Article DOI: 10.1021/ml500240d
BindingDB Entry DOI: 10.7270/Q2MC91MW
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=1/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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n/an/an/an/a 7n/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=1/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


(Mus musculus)
BDBM50030775
PNG
(CHEMBL3342378)
Show SMILES CNC(=O)c1ccc(CNc2cc(nc(NC)n2)-c2ccccn2)cc1
Show InChI InChI=1S/C19H20N6O/c1-20-18(26)14-8-6-13(7-9-14)12-23-17-11-16(24-19(21-2)25-17)15-5-3-4-10-22-15/h3-11H,12H2,1-2H3,(H,20,26)(H2,21,23,24,25)
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n/an/an/an/a 8n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR39 expressed in HEK293 cells by IP1 assay


ACS Med Chem Lett 5: 1114-8 (2014)


Article DOI: 10.1021/ml500240d
BindingDB Entry DOI: 10.7270/Q2MC91MW
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=1/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


(Mus musculus)
BDBM50030777
PNG
(CHEMBL3342376)
Show SMILES CNc1nc(NCc2ccc(NS(C)(=O)=O)cc2)cc(n1)-c1ccccn1
Show InChI InChI=1S/C18H20N6O2S/c1-19-18-22-16(15-5-3-4-10-20-15)11-17(23-18)21-12-13-6-8-14(9-7-13)24-27(2,25)26/h3-11,24H,12H2,1-2H3,(H2,19,21,22,23)
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n/an/an/an/a 8n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR39 expressed in HEK293 cells by IP1 assay


ACS Med Chem Lett 5: 1114-8 (2014)


Article DOI: 10.1021/ml500240d
BindingDB Entry DOI: 10.7270/Q2MC91MW
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=1/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 9n/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))
BDBM50232390
PNG
(CHEMBL4086570)
Show SMILES Cc1ccnn1CCOC1CC(=O)Nc2c1c(C)nn2-c1ncnc2nc[nH]c12
Show InChI InChI=1/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))
BDBM50232386
PNG
(CHEMBL4068635)
Show SMILES Cc1nn(c2NC(=O)CC(C(=O)Nc3ccccc3)c12)-c1ncnc2nc[nH]c12
Show InChI InChI=1/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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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


(Mus musculus)
BDBM50030787
PNG
(CHEMBL3342366)
Show SMILES CNc1nc(NCC2CCCCC2)cc(n1)-c1ccccn1
Show InChI InChI=1S/C17H23N5/c1-18-17-21-15(14-9-5-6-10-19-14)11-16(22-17)20-12-13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8,12H2,1H3,(H2,18,20,21,22)
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n/an/an/an/a 10n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR39 expressed in HEK293 cells by IP1 assay


ACS Med Chem Lett 5: 1114-8 (2014)


Article DOI: 10.1021/ml500240d
BindingDB Entry DOI: 10.7270/Q2MC91MW
More data for this
Ligand-Target Pair
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