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Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with Target = 'G-protein coupled receptor 39' AND taxid = 10090   
Target
(Institution)
LigandTarget
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


(Mus musculus)
BDBM50030767
PNG
(CHEMBL3342365)
Show SMILES CNc1nc(NCC(C)(C)C)cc(n1)-c1ccccn1
Show InChI InChI=1S/C15H21N5/c1-15(2,3)10-18-13-9-12(19-14(16-4)20-13)11-7-5-6-8-17-11/h5-9H,10H2,1-4H3,(H2,16,18,19,20)
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n/an/an/an/a 365n/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)

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)

More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Mus musculus)
BDBM50030769
PNG
(CHEMBL3342363)
Show SMILES C(Nc1cc(ncn1)-c1ccccn1)C1CC1
Show InChI InChI=1S/C13H14N4/c1-2-6-14-11(3-1)12-7-13(17-9-16-12)15-8-10-4-5-10/h1-3,6-7,9-10H,4-5,8H2,(H,15,16,17)
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n/an/an/an/a 1.00E+4n/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)

More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Mus musculus)
BDBM50030770
PNG
(CHEMBL3342362)
Show SMILES FC(F)(F)Oc1ccc(CNc2nc(NCC3CC3)cc(n2)-c2ccccn2)cc1
Show InChI InChI=1S/C21H20F3N5O/c22-21(23,24)30-16-8-6-15(7-9-16)13-27-20-28-18(17-3-1-2-10-25-17)11-19(29-20)26-12-14-4-5-14/h1-3,6-11,14H,4-5,12-13H2,(H2,26,27,28,29)
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n/an/an/an/a 22n/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)

More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Mus musculus)
BDBM50030771
PNG
(CHEMBL3342361)
Show SMILES COCCNc1nc(NCC2CC2)cc(n1)-c1ccccn1
Show InChI InChI=1S/C16H21N5O/c1-22-9-8-18-16-20-14(13-4-2-3-7-17-13)10-15(21-16)19-11-12-5-6-12/h2-4,7,10,12H,5-6,8-9,11H2,1H3,(H2,18,19,20,21)
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n/an/an/an/a 1.00E+4n/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)

More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Mus musculus)
BDBM50030772
PNG
(CHEMBL3342360)
Show SMILES CC(C)(C)CNc1nc(NCC2CC2)cc(n1)-c1ccccn1
Show InChI InChI=1S/C18H25N5/c1-18(2,3)12-21-17-22-15(14-6-4-5-9-19-14)10-16(23-17)20-11-13-7-8-13/h4-6,9-10,13H,7-8,11-12H2,1-3H3,(H2,20,21,22,23)
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n/an/an/an/a 1.50E+3n/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)

More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Mus musculus)
BDBM50030773
PNG
(CHEMBL3342359)
Show SMILES CNc1nc(NCC2CC2)cc(n1)-c1ccccn1
Show InChI InChI=1S/C14H17N5/c1-15-14-18-12(11-4-2-3-7-16-11)8-13(19-14)17-9-10-5-6-10/h2-4,7-8,10H,5-6,9H2,1H3,(H2,15,17,18,19)
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n/an/an/an/a 115n/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)

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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n/an/an/an/a 3n/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)

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)

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)

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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n/an/an/an/a 3n/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)

More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Mus musculus)
BDBM50030785
PNG
(CHEMBL3342368)
Show SMILES CNc1nc(NCc2ccncc2)cc(n1)-c1ccccn1
Show InChI InChI=1S/C16H16N6/c1-17-16-21-14(13-4-2-3-7-19-13)10-15(22-16)20-11-12-5-8-18-9-6-12/h2-10H,11H2,1H3,(H2,17,20,21,22)
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n/an/an/an/a 304n/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)

More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Mus musculus)
BDBM50030784
PNG
(CHEMBL3342369)
Show SMILES CNc1nc(NCc2ccc(cc2)N(C)C(C)=O)cc(n1)-c1ccccn1
Show InChI InChI=1S/C20H22N6O/c1-14(27)26(3)16-9-7-15(8-10-16)13-23-19-12-18(24-20(21-2)25-19)17-6-4-5-11-22-17/h4-12H,13H2,1-3H3,(H2,21,23,24,25)
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n/an/an/an/a 2.61E+3n/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)

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)

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)

More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Mus musculus)
BDBM50030781
PNG
(CHEMBL3342372)
Show SMILES Cc1nc(NCc2ccc(Cl)cc2)cc(n1)-c1ccccn1
Show InChI InChI=1S/C17H15ClN4/c1-12-21-16(15-4-2-3-9-19-15)10-17(22-12)20-11-13-5-7-14(18)8-6-13/h2-10H,11H2,1H3,(H,20,21,22)
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n/an/an/an/a 17n/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)

More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Mus musculus)
BDBM50030780
PNG
(CHEMBL3342373)
Show SMILES CNc1nc(NC2(CCC2)c2ccc(Cl)cc2)cc(n1)-c1ccccn1
Show InChI InChI=1S/C20H20ClN5/c1-22-19-24-17(16-5-2-3-12-23-16)13-18(25-19)26-20(10-4-11-20)14-6-8-15(21)9-7-14/h2-3,5-9,12-13H,4,10-11H2,1H3,(H2,22,24,25,26)
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n/an/an/an/a 34n/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)

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)

More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Mus musculus)
BDBM50030778
PNG
(CHEMBL3342375)
Show SMILES CNc1nc(NCc2ccc(cc2)S(C)(=O)=O)cc(n1)-c1ccccn1
Show InChI InChI=1S/C18H19N5O2S/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)26(2,24)25/h3-11H,12H2,1-2H3,(H2,19,21,22,23)
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n/an/an/an/a 185n/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)

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)

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)

More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Mus musculus)
BDBM50030768
PNG
(CHEMBL3342364)
Show SMILES CN(C)c1nc(NCC2CC2)cc(n1)-c1ccccn1
Show InChI InChI=1S/C15H19N5/c1-20(2)15-18-13(12-5-3-4-8-16-12)9-14(19-15)17-10-11-6-7-11/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,17,18,19)
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n/an/an/an/a 6.72E+3n/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)

More data for this
Ligand-Target Pair