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Compile Data Set for Download or QSAR

Found 94 hits Enz. Inhib. hit(s) with Target = 'Probable G-protein coupled receptor 139'   
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
Probable G-protein coupled receptor 139


(Homo sapiens)
BDBM50132143
PNG
(CHEMBL3633720)
Show SMILES C[C@H](NC(=O)CNC(=O)c1cccc(Cl)c1)c1ccccc1
Show InChI InChI=1S/C17H17ClN2O2/c1-12(13-6-3-2-4-7-13)20-16(21)11-19-17(22)14-8-5-9-15(18)10-14/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21)/t12-/m0/s1
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n/an/an/an/a 16n/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of [3H]-U-69,593 binding to Opioid receptor kappa 1


ACS Med Chem Lett 6: 1015-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00247
BindingDB Entry DOI: 10.7270/Q2RX9DWS
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 139


(Homo sapiens)
BDBM50131904
PNG
(CHEMBL3633888)
Show SMILES C[C@H](NC(=O)CNC(=O)c1cc(F)cc(Cl)c1)c1ccccc1
Show InChI InChI=1S/C17H16ClFN2O2/c1-11(12-5-3-2-4-6-12)21-16(22)10-20-17(23)13-7-14(18)9-15(19)8-13/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22)/t11-/m0/s1
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n/an/an/an/a 24n/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into H-ras CVLS by farnesyltransferase


ACS Med Chem Lett 6: 1015-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00247
BindingDB Entry DOI: 10.7270/Q2RX9DWS
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 139


(Homo sapiens)
BDBM50132137
PNG
(CHEMBL3633878)
Show SMILES C[C@H](NC(=O)CNC(=O)c1cccc(C)c1)c1ccccc1
Show InChI InChI=1S/C18H20N2O2/c1-13-7-6-10-16(11-13)18(22)19-12-17(21)20-14(2)15-8-4-3-5-9-15/h3-11,14H,12H2,1-2H3,(H,19,22)(H,20,21)/t14-/m0/s1
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n/an/an/an/a 24n/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of [3H]-U-69,593 binding to Opioid receptor kappa 1


ACS Med Chem Lett 6: 1015-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00247
BindingDB Entry DOI: 10.7270/Q2RX9DWS
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 139


(Homo sapiens)
BDBM50131902
PNG
(CHEMBL3633890)
Show SMILES COc1cc(OC)cc(c1)C(=O)NCC(=O)N[C@@H](C)c1ccccc1
Show InChI InChI=1S/C19H22N2O4/c1-13(14-7-5-4-6-8-14)21-18(22)12-20-19(23)15-9-16(24-2)11-17(10-15)25-3/h4-11,13H,12H2,1-3H3,(H,20,23)(H,21,22)/t13-/m0/s1
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n/an/an/an/a 32n/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test


ACS Med Chem Lett 6: 1015-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00247
BindingDB Entry DOI: 10.7270/Q2RX9DWS
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 139


(Homo sapiens)
BDBM50131999
PNG
(CHEMBL3633881)
Show SMILES COc1cccc(c1)C(=O)NCC(=O)N[C@@H](C)c1ccccc1
Show InChI InChI=1S/C18H20N2O3/c1-13(14-7-4-3-5-8-14)20-17(21)12-19-18(22)15-9-6-10-16(11-15)23-2/h3-11,13H,12H2,1-2H3,(H,19,22)(H,20,21)/t13-/m0/s1
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n/an/an/an/a 33n/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of [3H]-U-69,593 binding to Opioid receptor kappa 1


ACS Med Chem Lett 6: 1015-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00247
BindingDB Entry DOI: 10.7270/Q2RX9DWS
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 139


(Homo sapiens)
BDBM50131906
PNG
(CHEMBL3633886)
Show SMILES C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)c1ccccc1
Show InChI InChI=1S/C17H16Cl2N2O2/c1-11(12-5-3-2-4-6-12)21-16(22)10-20-17(23)14-9-13(18)7-8-15(14)19/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22)/t11-/m0/s1
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n/an/an/an/a 40n/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into H-ras CVLS by farnesyltransferase


ACS Med Chem Lett 6: 1015-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00247
BindingDB Entry DOI: 10.7270/Q2RX9DWS
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 139


(Homo sapiens)
BDBM50131899
PNG
(CHEMBL3633893)
Show SMILES COc1cc(OC)cc(c1)C(=O)NNC(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C20H19N3O4/c1-26-15-10-14(11-16(12-15)27-2)19(24)22-23-20(25)21-18-9-5-7-13-6-3-4-8-17(13)18/h3-12H,1-2H3,(H,22,24)(H2,21,23,25)
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n/an/an/an/a 43n/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test


ACS Med Chem Lett 6: 1015-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00247
BindingDB Entry DOI: 10.7270/Q2RX9DWS
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 139


(Homo sapiens)
BDBM50131993
PNG
(CHEMBL3633883)
Show SMILES C[C@H](NC(=O)CNC(=O)c1cccc(OC(F)(F)F)c1)c1ccccc1
Show InChI InChI=1S/C18H17F3N2O3/c1-12(13-6-3-2-4-7-13)23-16(24)11-22-17(25)14-8-5-9-15(10-14)26-18(19,20)21/h2-10,12H,11H2,1H3,(H,22,25)(H,23,24)/t12-/m0/s1
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n/an/an/an/a 46n/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of [3H]-U-69,593 binding to Opioid receptor kappa 1


ACS Med Chem Lett 6: 1015-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00247
BindingDB Entry DOI: 10.7270/Q2RX9DWS
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 139


(Homo sapiens)
BDBM50131905
PNG
(CHEMBL3633887)
Show SMILES C[C@H](NC(=O)CNC(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1
Show InChI InChI=1S/C17H16Cl2N2O2/c1-11(12-5-3-2-4-6-12)21-16(22)10-20-17(23)13-7-14(18)9-15(19)8-13/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22)/t11-/m0/s1
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n/an/an/an/a 46n/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into H-ras CVLS by farnesyltransferase


ACS Med Chem Lett 6: 1015-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00247
BindingDB Entry DOI: 10.7270/Q2RX9DWS
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 139


(Homo sapiens)
BDBM50131946
PNG
(CHEMBL3633884)
Show SMILES C[C@H](NC(=O)CNC(=O)c1cccc(Cl)c1Cl)c1ccccc1
Show InChI InChI=1S/C17H16Cl2N2O2/c1-11(12-6-3-2-4-7-12)21-15(22)10-20-17(23)13-8-5-9-14(18)16(13)19/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22)/t11-/m0/s1
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n/an/an/an/a 52n/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into H-ras CVLS by farnesyltransferase


ACS Med Chem Lett 6: 1015-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00247
BindingDB Entry DOI: 10.7270/Q2RX9DWS
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 139


(Homo sapiens)
BDBM50131994
PNG
(CHEMBL3633882)
Show SMILES C[C@H](NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C18H17F3N2O2/c1-12(13-6-3-2-4-7-13)23-16(24)11-22-17(25)14-8-5-9-15(10-14)18(19,20)21/h2-10,12H,11H2,1H3,(H,22,25)(H,23,24)/t12-/m0/s1
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n/an/an/an/a 52n/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of [3H]-U-69,593 binding to Opioid receptor kappa 1


ACS Med Chem Lett 6: 1015-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00247
BindingDB Entry DOI: 10.7270/Q2RX9DWS
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 139


(Homo sapiens)
BDBM50132000
PNG
(CHEMBL3633880)
Show SMILES C[C@H](NC(=O)CNC(=O)c1cccc(F)c1)c1ccccc1
Show InChI InChI=1S/C17H17FN2O2/c1-12(13-6-3-2-4-7-13)20-16(21)11-19-17(22)14-8-5-9-15(18)10-14/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21)/t12-/m0/s1
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n/an/an/an/a 54n/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of [3H]-U-69,593 binding to Opioid receptor kappa 1


ACS Med Chem Lett 6: 1015-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00247
BindingDB Entry DOI: 10.7270/Q2RX9DWS
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 139


(Homo sapiens)
BDBM50132131
PNG
(CHEMBL3633879)
Show SMILES C[C@H](NC(=O)CNC(=O)c1cccc(c1)C#N)c1ccccc1
Show InChI InChI=1S/C18H17N3O2/c1-13(15-7-3-2-4-8-15)21-17(22)12-20-18(23)16-9-5-6-14(10-16)11-19/h2-10,13H,12H2,1H3,(H,20,23)(H,21,22)/t13-/m0/s1
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n/an/an/an/a 59n/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of [3H]-U-69,593 binding to Opioid receptor kappa 1


ACS Med Chem Lett 6: 1015-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00247
BindingDB Entry DOI: 10.7270/Q2RX9DWS
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 139


(Homo sapiens)
BDBM50131903
PNG
(CHEMBL3633889)
Show SMILES C[C@H](NC(=O)CNC(=O)c1cc(Cl)cc(Br)c1)c1ccccc1
Show InChI InChI=1S/C17H16BrClN2O2/c1-11(12-5-3-2-4-6-12)21-16(22)10-20-17(23)13-7-14(18)9-15(19)8-13/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22)/t11-/m0/s1
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n/an/an/an/a 78n/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test


ACS Med Chem Lett 6: 1015-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00247
BindingDB Entry DOI: 10.7270/Q2RX9DWS
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 139


(Homo sapiens)
BDBM50132141
PNG
(CHEMBL3633721)
Show SMILES C[C@H](NC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C17H17ClN2O2/c1-12(13-5-3-2-4-6-13)20-16(21)11-19-17(22)14-7-9-15(18)10-8-14/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21)/t12-/m0/s1
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n/an/an/an/a 118n/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of [3H]-U-69,593 binding to Opioid receptor kappa 1


ACS Med Chem Lett 6: 1015-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00247
BindingDB Entry DOI: 10.7270/Q2RX9DWS
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 139


(Homo sapiens)
BDBM50131931
PNG
(CHEMBL3633885)
Show SMILES C[C@H](NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1
Show InChI InChI=1S/C17H16Cl2N2O2/c1-11(12-5-3-2-4-6-12)21-16(22)10-20-17(23)13-7-8-14(18)15(19)9-13/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22)/t11-/m0/s1
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n/an/an/an/a 193n/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into H-ras CVLS by farnesyltransferase


ACS Med Chem Lett 6: 1015-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00247
BindingDB Entry DOI: 10.7270/Q2RX9DWS
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 139


(Homo sapiens)
BDBM50131897
PNG
(CHEMBL3633894)
Show SMILES CC(NC(=O)CSC(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H17NO2S/c1-13(14-8-4-2-5-9-14)18-16(19)12-21-17(20)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,18,19)
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n/an/an/an/a 670n/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test


ACS Med Chem Lett 6: 1015-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00247
BindingDB Entry DOI: 10.7270/Q2RX9DWS
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 139


(Homo sapiens)
BDBM50131896
PNG
(CHEMBL3633895)
Show SMILES COc1cccc(c1)C(=O)NCC(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C18H20N2O3/c1-13(14-7-4-3-5-8-14)20-17(21)12-19-18(22)15-9-6-10-16(11-15)23-2/h3-11,13H,12H2,1-2H3,(H,19,22)(H,20,21)/t13-/m1/s1
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n/an/an/an/a 1.70E+3n/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test


ACS Med Chem Lett 6: 1015-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00247
BindingDB Entry DOI: 10.7270/Q2RX9DWS
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 139


(Homo sapiens)
BDBM50131895
PNG
(CHEMBL3633896)
Show SMILES C[C@@H](NC(=O)CNC(=O)c1cccc(Cl)c1)c1ccccc1
Show InChI InChI=1S/C17H17ClN2O2/c1-12(13-6-3-2-4-7-13)20-16(21)11-19-17(22)14-8-5-9-15(18)10-14/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21)/t12-/m1/s1
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n/an/an/an/a 2.10E+3n/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test


ACS Med Chem Lett 6: 1015-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00247
BindingDB Entry DOI: 10.7270/Q2RX9DWS
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 139


(Homo sapiens)
BDBM50131901
PNG
(CHEMBL3633891)
Show SMILES C[C@H](NCCNC(=O)c1cccc(Cl)c1)c1ccccc1
Show InChI InChI=1S/C17H19ClN2O/c1-13(14-6-3-2-4-7-14)19-10-11-20-17(21)15-8-5-9-16(18)12-15/h2-9,12-13,19H,10-11H2,1H3,(H,20,21)/t13-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test


ACS Med Chem Lett 6: 1015-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00247
BindingDB Entry DOI: 10.7270/Q2RX9DWS
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 139


(Homo sapiens)
BDBM50131900
PNG
(CHEMBL3633892)
Show SMILES C[C@H](NC(=O)CNCc1cccc(Cl)c1)c1ccccc1
Show InChI InChI=1S/C17H19ClN2O/c1-13(15-7-3-2-4-8-15)20-17(21)12-19-11-14-6-5-9-16(18)10-14/h2-10,13,19H,11-12H2,1H3,(H,20,21)/t13-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test


ACS Med Chem Lett 6: 1015-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00247
BindingDB Entry DOI: 10.7270/Q2RX9DWS
More data for this
Ligand-Target Pair
G-protein coupled receptor 139


(Homo sapiens)
BDBM263478
PNG
((s)-2-(6,8-dimethyl-4-oxobenzo[d][1,2,3]triazin-3(...)
Show SMILES C[C@H](NC(=O)Cn1nnc2c(C)cc(C)cc2c1=O)c1ccc(C)cc1
Show InChI InChI=1S/C20H22N4O2/c1-12-5-7-16(8-6-12)15(4)21-18(25)11-24-20(26)17-10-13(2)9-14(3)19(17)22-23-24/h5-10,15H,11H2,1-4H3,(H,21,25)/t15-/m0/s1
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10n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
G-protein coupled receptor 139


(Homo sapiens)
BDBM263499
PNG
((s)?n-(1-(2-fluoro-4-(trifluoromethyl)phenyl)ethyl...)
Show SMILES COc1cccc2nnn(CC(=O)N[C@@H](C)c3ccc(cc3F)C(F)(F)F)c(=O)c12
Show InChI InChI=1S/C19H16F4N4O3/c1-10(12-7-6-11(8-13(12)20)19(21,22)23)24-16(28)9-27-18(29)17-14(25-26-27)4-3-5-15(17)30-2/h3-8,10H,9H2,1-2H3,(H,24,28)/t10-/m0/s1
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11n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
G-protein coupled receptor 139


(Homo sapiens)
BDBM263461
PNG
((s)-2-(6,8-dichloro-4-oxobenzo[d][1,2,3]triazin-3(...)
Show SMILES C[C@H](NC(=O)Cn1nnc2c(Cl)cc(Cl)cc2c1=O)c1ccc(C)cc1
Show InChI InChI=1S/C18H16Cl2N4O2/c1-10-3-5-12(6-4-10)11(2)21-16(25)9-24-18(26)14-7-13(19)8-15(20)17(14)22-23-24/h3-8,11H,9H2,1-2H3,(H,21,25)/t11-/m0/s1
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26n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
G-protein coupled receptor 139


(Homo sapiens)
BDBM263493
PNG
((s)-2-(5-methoxy-4-oxobenzo[d][1,2,3]triazin-3 (4h...)
Show SMILES COc1cccc2nnn(CC(=O)N[C@@H](C)c3ccc(cc3)C(F)(F)F)c(=O)c12
Show InChI InChI=1S/C19H17F3N4O3/c1-11(12-6-8-13(9-7-12)19(20,21)22)23-16(27)10-26-18(28)17-14(24-25-26)4-3-5-15(17)29-2/h3-9,11H,10H2,1-2H3,(H,23,27)/t11-/m0/s1
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26n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
G-protein coupled receptor 139


(Homo sapiens)
BDBM263490
PNG
((s)-2-(5-methoxy-4-oxobenzo[d][1,2,3]triazin-3(4h)...)
Show SMILES COc1cccc2nnn(CC(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3)c(=O)c12
Show InChI InChI=1S/C19H17F3N4O4/c1-11(12-6-8-13(9-7-12)30-19(20,21)22)23-16(27)10-26-18(28)17-14(24-25-26)4-3-5-15(17)29-2/h3-9,11H,10H2,1-2H3,(H,23,27)/t11-/m0/s1
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33n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
G-protein coupled receptor 139


(Homo sapiens)
BDBM263504
PNG
((s)?n-(1-(2-fluoro-4-(trifluoromethoxy)phenyl)ethy...)
Show SMILES COc1cccc2nnn(CC(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3F)c(=O)c12
Show InChI InChI=1S/C19H16F4N4O4/c1-10(12-7-6-11(8-13(12)20)31-19(21,22)23)24-16(28)9-27-18(29)17-14(25-26-27)4-3-5-15(17)30-2/h3-8,10H,9H2,1-2H3,(H,24,28)/t10-/m0/s1
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33n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
G-protein coupled receptor 139


(Homo sapiens)
BDBM263484
PNG
((s)?n-(1-(2,4-dimethylphenyl)ethyl)-2-(6-fluoro-4-...)
Show SMILES C[C@H](NC(=O)Cn1nnc2ccc(F)cc2c1=O)c1ccc(C)cc1C
Show InChI InChI=1S/C19H19FN4O2/c1-11-4-6-15(12(2)8-11)13(3)21-18(25)10-24-19(26)16-9-14(20)5-7-17(16)22-23-24/h4-9,13H,10H2,1-3H3,(H,21,25)/t13-/m0/s1
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39n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
G-protein coupled receptor 139


(Homo sapiens)
BDBM263487
PNG
((s)-2-(6-fluoro-4-oxobenzo[d][1,2,3]triazin-3(4h)-...)
Show SMILES C[C@H](NC(=O)Cn1nnc2ccc(F)cc2c1=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H14F4N4O3/c1-10(11-2-5-13(6-3-11)29-18(20,21)22)23-16(27)9-26-17(28)14-8-12(19)4-7-15(14)24-25-26/h2-8,10H,9H2,1H3,(H,23,27)/t10-/m0/s1
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42n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
G-protein coupled receptor 139


(Homo sapiens)
BDBM263369
PNG
((s)-2-(5-methoxy-4-oxobenzo[d][1,2,3]triazin-3(4h)...)
Show SMILES COc1cccc2nnn(CC(=O)N[C@@H](C)c3ccc(C)cc3)c(=O)c12
Show InChI InChI=1S/C19H20N4O3/c1-12-7-9-14(10-8-12)13(2)20-17(24)11-23-19(25)18-15(21-22-23)5-4-6-16(18)26-3/h4-10,13H,11H2,1-3H3,(H,20,24)/t13-/m0/s1
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48n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
G-protein coupled receptor 139


(Homo sapiens)
BDBM263453
PNG
((s)-2-(6-methoxy-4-oxobenzo[d][1,2,3]triazin-3(4h)...)
Show SMILES COc1ccc2nnn(CC(=O)N[C@@H](C)c3ccc(C)cc3)c(=O)c2c1
Show InChI InChI=1S/C19H20N4O3/c1-12-4-6-14(7-5-12)13(2)20-18(24)11-23-19(25)16-10-15(26-3)8-9-17(16)21-22-23/h4-10,13H,11H2,1-3H3,(H,20,24)/t13-/m0/s1
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58n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
G-protein coupled receptor 139


(Homo sapiens)
BDBM263420
PNG
((s)?n-(1-(2,4-dimethylphenyl)ethyl)-2-(4-oxobenzo[...)
Show SMILES C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(C)cc1C
Show InChI InChI=1S/C19H20N4O2/c1-12-8-9-15(13(2)10-12)14(3)20-18(24)11-23-19(25)16-6-4-5-7-17(16)21-22-23/h4-10,14H,11H2,1-3H3,(H,20,24)/t14-/m0/s1
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63n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
G-protein coupled receptor 139


(Homo sapiens)
BDBM263459
PNG
((s)-2-(8-methyl-4-oxobenzo[d][1,2,3]triazin-3(4h)-...)
Show SMILES C[C@H](NC(=O)Cn1nnc2c(C)cccc2c1=O)c1ccc(C)cc1
Show InChI InChI=1S/C19H20N4O2/c1-12-7-9-15(10-8-12)14(3)20-17(24)11-23-19(25)16-6-4-5-13(2)18(16)21-22-23/h4-10,14H,11H2,1-3H3,(H,20,24)/t14-/m0/s1
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72n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
G-protein coupled receptor 139


(Homo sapiens)
BDBM263486
PNG
((s)?n-(1-(2-fluoro-4-methylphenyl)ethyl)-2-(6-fluo...)
Show SMILES C[C@H](NC(=O)Cn1nnc2ccc(F)cc2c1=O)c1ccc(C)cc1F
Show InChI InChI=1S/C18H16F2N4O2/c1-10-3-5-13(15(20)7-10)11(2)21-17(25)9-24-18(26)14-8-12(19)4-6-16(14)22-23-24/h3-8,11H,9H2,1-2H3,(H,21,25)/t11-/m0/s1
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77n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
G-protein coupled receptor 139


(Homo sapiens)
BDBM263482
PNG
((s)-2-(8-fluoro-6-methyl-4-oxobenzo[d][1,2,3]triaz...)
Show SMILES C[C@H](NC(=O)Cn1nnc2c(F)cc(C)cc2c1=O)c1ccc(C)cc1
Show InChI InChI=1S/C19H19FN4O2/c1-11-4-6-14(7-5-11)13(3)21-17(25)10-24-19(26)15-8-12(2)9-16(20)18(15)22-23-24/h4-9,13H,10H2,1-3H3,(H,21,25)/t13-/m0/s1
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85n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
G-protein coupled receptor 139


(Homo sapiens)
BDBM263474
PNG
((s)-2-(5-methyl-4-oxobenzo[d][1,2,3]triazin-3 (4h)...)
Show SMILES C[C@H](NC(=O)Cn1nnc2cccc(C)c2c1=O)c1ccc(C)cc1
Show InChI InChI=1S/C19H20N4O2/c1-12-7-9-15(10-8-12)14(3)20-17(24)11-23-19(25)18-13(2)5-4-6-16(18)21-22-23/h4-10,14H,11H2,1-3H3,(H,20,24)/t14-/m0/s1
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92n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
G-protein coupled receptor 139


(Homo sapiens)
BDBM263503
PNG
((s)?n-(1-(2-fluoro-4-(trifluoromethoxy)phenyl)ethy...)
Show SMILES C[C@H](NC(=O)Cn1nnc2ccc(F)cc2c1=O)c1ccc(OC(F)(F)F)cc1F
Show InChI InChI=1S/C18H13F5N4O3/c1-9(12-4-3-11(7-14(12)20)30-18(21,22)23)24-16(28)8-27-17(29)13-6-10(19)2-5-15(13)25-26-27/h2-7,9H,8H2,1H3,(H,24,28)/t9-/m0/s1
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93n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
G-protein coupled receptor 139


(Homo sapiens)
BDBM263496
PNG
((s)-2-(6-fluoro-4-oxobenzo[d][1,2,3]triazin-3(4h)-...)
Show SMILES C[C@H](NC(=O)Cn1nnc2ccc(F)cc2c1=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H14F4N4O2/c1-10(11-2-4-12(5-3-11)18(20,21)22)23-16(27)9-26-17(28)14-8-13(19)6-7-15(14)24-25-26/h2-8,10H,9H2,1H3,(H,23,27)/t10-/m0/s1
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106n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
G-protein coupled receptor 139


(Homo sapiens)
BDBM263457
PNG
((s)-2-(8-chloro-4-oxobenzo[d][1,2,3]triazin-3(4h)-...)
Show SMILES C[C@H](NC(=O)Cn1nnc2c(Cl)cccc2c1=O)c1ccc(C)cc1
Show InChI InChI=1S/C18H17ClN4O2/c1-11-6-8-13(9-7-11)12(2)20-16(24)10-23-18(25)14-4-3-5-15(19)17(14)21-22-23/h3-9,12H,10H2,1-2H3,(H,20,24)/t12-/m0/s1
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110n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
G-protein coupled receptor 139


(Homo sapiens)
BDBM263492
PNG
((s)-2-(6-methoxy-4-oxobenzo[d][1,2,3]triazin-3(4h)...)
Show SMILES COc1ccc2nnn(CC(=O)N[C@@H](C)c3ccc(cc3)C(F)(F)F)c(=O)c2c1
Show InChI InChI=1S/C19H17F3N4O3/c1-11(12-3-5-13(6-4-12)19(20,21)22)23-17(27)10-26-18(28)15-9-14(29-2)7-8-16(15)24-25-26/h3-9,11H,10H2,1-2H3,(H,23,27)/t11-/m0/s1
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115n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
G-protein coupled receptor 139


(Homo sapiens)
BDBM263509
PNG
(US9556130, test 81 | n-(2-chloro-4-methoxyphenethy...)
Show SMILES COc1ccc(CCNC(=O)Cn2nnc3ccccc3c2=O)c(Cl)c1
Show InChI InChI=1S/C18H17ClN4O3/c1-26-13-7-6-12(15(19)10-13)8-9-20-17(24)11-23-18(25)14-4-2-3-5-16(14)21-22-23/h2-7,10H,8-9,11H2,1H3,(H,20,24)
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117n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
G-protein coupled receptor 139


(Homo sapiens)
BDBM263368
PNG
((s)-2-(4-oxobenzo[d][1,2,3]triazin-3(4h)-yl)-n-(1-...)
Show SMILES O=C(NC1CCC(CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cccs1
Show InChI InChI=1S/C24H30N4OS2/c29-24(22-6-3-17-30-22)25-19-9-7-18(8-10-19)11-12-27-13-15-28(16-14-27)23-20-4-1-2-5-21(20)31-26-23/h1-6,17-19H,7-16H2,(H,25,29)
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119n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
G-protein coupled receptor 139


(Homo sapiens)
BDBM263502
PNG
((s)?n-(1-(2-fluoro-4-(trifluoromethoxy)phenyl)ethy...)
Show SMILES C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(OC(F)(F)F)cc1F
Show InChI InChI=1S/C18H14F4N4O3/c1-10(12-7-6-11(8-14(12)19)29-18(20,21)22)23-16(27)9-26-17(28)13-4-2-3-5-15(13)24-25-26/h2-8,10H,9H2,1H3,(H,23,27)/t10-/m0/s1
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120n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
G-protein coupled receptor 139


(Homo sapiens)
BDBM263501
PNG
((s)?n-(1-(4-(difluoromethoxy)phenyl)ethyl)-2-(5-me...)
Show SMILES COc1cccc2nnn(CC(=O)N[C@@H](C)c3ccc(OC(F)F)cc3)c(=O)c12
Show InChI InChI=1S/C19H18F2N4O4/c1-11(12-6-8-13(9-7-12)29-19(20)21)22-16(26)10-25-18(27)17-14(23-24-25)4-3-5-15(17)28-2/h3-9,11,19H,10H2,1-2H3,(H,22,26)/t11-/m0/s1
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120n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
G-protein coupled receptor 139


(Homo sapiens)
BDBM263489
PNG
((s)-2-(6-methoxy-4-oxobenzo[d][1,2,3]triazin-3(4h)...)
Show SMILES COc1ccc2nnn(CC(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3)c(=O)c2c1
Show InChI InChI=1S/C19H17F3N4O4/c1-11(12-3-5-13(6-4-12)30-19(20,21)22)23-17(27)10-26-18(28)15-9-14(29-2)7-8-16(15)24-25-26/h3-9,11H,10H2,1-2H3,(H,23,27)/t11-/m0/s1
UniProtKB/SwissProt

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128n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
G-protein coupled receptor 139


(Homo sapiens)
BDBM263440
PNG
((s)-2-(4-oxobenzo[d][1,2,3]triazin-3(4h)-yl)-n-(1-...)
Show SMILES C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H15F3N4O2/c1-11(12-6-8-13(9-7-12)18(19,20)21)22-16(26)10-25-17(27)14-4-2-3-5-15(14)23-24-25/h2-9,11H,10H2,1H3,(H,22,26)/t11-/m0/s1
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148n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
G-protein coupled receptor 139


(Homo sapiens)
BDBM263497
PNG
((s)?n-(1-(2-fluoro-4-(trifluoromethyl)phenyl)ethyl...)
Show SMILES C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C18H14F4N4O2/c1-10(12-7-6-11(8-14(12)19)18(20,21)22)23-16(27)9-26-17(28)13-4-2-3-5-15(13)24-25-26/h2-8,10H,9H2,1H3,(H,23,27)/t10-/m0/s1
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152n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
G-protein coupled receptor 139


(Homo sapiens)
BDBM263485
PNG
((s)?n-(1-(2-fluoro-4-methylphenyl)ethyl)-2-(4-oxob...)
Show SMILES C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(C)cc1F
Show InChI InChI=1S/C18H17FN4O2/c1-11-7-8-13(15(19)9-11)12(2)20-17(24)10-23-18(25)14-5-3-4-6-16(14)21-22-23/h3-9,12H,10H2,1-2H3,(H,20,24)/t12-/m0/s1
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171n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
G-protein coupled receptor 139


(Homo sapiens)
BDBM263456
PNG
((s)-2-(7-chloro-4-oxobenzo[d][1,2,3]triazin-3(4h)-...)
Show SMILES C[C@H](NC(=O)Cn1nnc2cc(Cl)ccc2c1=O)c1ccc(C)cc1
Show InChI InChI=1S/C18H17ClN4O2/c1-11-3-5-13(6-4-11)12(2)20-17(24)10-23-18(25)15-8-7-14(19)9-16(15)21-22-23/h3-9,12H,10H2,1-2H3,(H,20,24)/t12-/m0/s1
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173n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
G-protein coupled receptor 139


(Homo sapiens)
BDBM263463
PNG
((s)-2-(6-methyl-4-oxobenzo[d][1,2,3]triazin-3(4h)-...)
Show SMILES C[C@H](NC(=O)Cn1nnc2ccc(C)cc2c1=O)c1ccc(C)cc1
Show InChI InChI=1S/C19H20N4O2/c1-12-4-7-15(8-5-12)14(3)20-18(24)11-23-19(25)16-10-13(2)6-9-17(16)21-22-23/h4-10,14H,11H2,1-3H3,(H,20,24)/t14-/m0/s1
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179n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
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