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Patent code US10781185

Compile Data Set for Download or QSAR
Found 149 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463455
PNG
(3-Phenyl-2-(piperidin-1-yl)quinoxaline-6-carboxyli...)
Show SMILES OC(=O)c1ccc2nc(N3CCCCC3)c(nc2c1)-c1ccccc1
Show InChI InChI=1S/C20H19N3O2/c24-20(25)15-9-10-16-17(13-15)21-18(14-7-3-1-4-8-14)19(22-16)23-11-5-2-6-12-23/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,24,25)
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US Patent
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BioEnergenix LLC

US Patent


Assay Description
Purified hPASK from insect cells (0.02 μg) is added to a 50 μL reaction mix containing 40 mM HEPES (pH 7.0), 100 mM KCl, 5 mM MgCl2, 1 mM D...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463463
PNG
(2,3-Bis(4-methoxyphenyl)-6-(1H-tetrazol-5-yl)quino...)
Show SMILES COc1ccc(cc1)-c1nc2ccc(cc2nc1-c1ccc(OC)cc1)-c1nnn[nH]1
Show InChI InChI=1S/C23H18N6O2/c1-30-17-8-3-14(4-9-17)21-22(15-5-10-18(31-2)11-6-15)25-20-13-16(7-12-19(20)24-21)23-26-28-29-27-23/h3-13H,1-2H3,(H,26,27,28,29)
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BioEnergenix LLC

US Patent


Assay Description
Purified hPASK from insect cells (0.02 μg) is added to a 50 μL reaction mix containing 40 mM HEPES (pH 7.0), 100 mM KCl, 5 mM MgCl2, 1 mM D...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463471
PNG
(3-(4-(4-Chlorophenyl)piperazin-1-yl)-2-phenylquino...)
Show SMILES OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H21ClN4O2/c26-19-7-9-20(10-8-19)29-12-14-30(15-13-29)24-23(17-4-2-1-3-5-17)27-21-11-6-18(25(31)32)16-22(21)28-24/h1-11,16H,12-15H2,(H,31,32)
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463474
PNG
(2-Phenyl-3-(piperidin-1-yl)quinoxaline-6-carboxyli...)
Show SMILES OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCCCC1
Show InChI InChI=1S/C20H19N3O2/c24-20(25)15-9-10-16-17(13-15)22-19(23-11-5-2-6-12-23)18(21-16)14-7-3-1-4-8-14/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,24,25)
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463453
PNG
(2-phenyl-3-(4-(quinolin-2-yl)piperazin-1-yl)quinox...)
Show SMILES OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCN(CC1)c1ccc2ccccc2n1
Show InChI InChI=1S/C28H23N5O2/c34-28(35)21-10-12-23-24(18-21)31-27(26(30-23)20-7-2-1-3-8-20)33-16-14-32(15-17-33)25-13-11-19-6-4-5-9-22(19)29-25/h1-13,18H,14-17H2,(H,34,35)
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BioEnergenix LLC

US Patent


Assay Description
Purified hPASK from insect cells (0.02 μg) is added to a 50 μL reaction mix containing 40 mM HEPES (pH 7.0), 100 mM KCl, 5 mM MgCl2, 1 mM D...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463452
PNG
(2-Phenyl-3-(4-(5-(trifluoromethyl)pyridin-2-yl)pip...)
Show SMILES OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C25H20F3N5O2/c26-25(27,28)18-7-9-21(29-15-18)32-10-12-33(13-11-32)23-22(16-4-2-1-3-5-16)30-19-8-6-17(24(34)35)14-20(19)31-23/h1-9,14-15H,10-13H2,(H,34,35)
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463456
PNG
(2-(4-(4-Chlorophenyl)piperidin-1-yl)-3-(4-fluoroph...)
Show SMILES OC(=O)c1ccc2nc(N3CCC(CC3)c3ccc(Cl)cc3)c(nc2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H21ClFN3O2/c27-20-6-1-16(2-7-20)17-11-13-31(14-12-17)25-24(18-3-8-21(28)9-4-18)29-23-15-19(26(32)33)5-10-22(23)30-25/h1-10,15,17H,11-14H2,(H,32,33)
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463481
PNG
(3-(Cyclopropyl(methyl)amino)-2-phenylquinoxaline-6...)
Show SMILES CN(C1CC1)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C19H17N3O2/c1-22(14-8-9-14)18-17(12-5-3-2-4-6-12)20-15-10-7-13(19(23)24)11-16(15)21-18/h2-7,10-11,14H,8-9H2,1H3,(H,23,24)
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463486
PNG
(3-(Isopropyl(methyl)amino)-2-(4-methoxyphenyl)quin...)
Show SMILES COc1ccc(cc1)-c1nc2ccc(cc2nc1N(C)C(C)C)C(O)=O
Show InChI InChI=1S/C20H21N3O3/c1-12(2)23(3)19-18(13-5-8-15(26-4)9-6-13)21-16-10-7-14(20(24)25)11-17(16)22-19/h5-12H,1-4H3,(H,24,25)
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463496
PNG
(2-(4-Fluorophenyl)-3-(3-(methoxymethyl)piperidin-1...)
Show SMILES COCC1CCCN(C1)c1nc2cc(ccc2nc1-c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C22H22FN3O3/c1-29-13-14-3-2-10-26(12-14)21-20(15-4-7-17(23)8-5-15)24-18-9-6-16(22(27)28)11-19(18)25-21/h4-9,11,14H,2-3,10,12-13H2,1H3,(H,27,28)
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463481
PNG
(3-(Cyclopropyl(methyl)amino)-2-phenylquinoxaline-6...)
Show SMILES CN(C1CC1)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C19H17N3O2/c1-22(14-8-9-14)18-17(12-5-3-2-4-6-12)20-15-10-7-13(19(23)24)11-16(15)21-18/h2-7,10-11,14H,8-9H2,1H3,(H,23,24)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463517
PNG
(US10781185, Example 48)
Show SMILES CCC(C)N(C)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C20H21N3O2/c1-4-13(2)23(3)19-18(14-8-6-5-7-9-14)21-16-11-10-15(20(24)25)12-17(16)22-19/h5-13H,4H2,1-3H3,(H,24,25)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463518
PNG
((R)-3-(3-Hydroxypyrrolidin-1-yl)-2-phenylquinoxali...)
Show SMILES O[C@@H]1CCN(C1)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C19H17N3O3/c23-14-8-9-22(11-14)18-17(12-4-2-1-3-5-12)20-15-7-6-13(19(24)25)10-16(15)21-18/h1-7,10,14,23H,8-9,11H2,(H,24,25)/t14-/m1/s1
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463485
PNG
(2-(4-Fluorophenyl)-3-(isopropyl(methyl)amino)quino...)
Show SMILES CC(C)N(C)c1nc2cc(ccc2nc1-c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C19H18FN3O2/c1-11(2)23(3)18-17(12-4-7-14(20)8-5-12)21-15-9-6-13(19(24)25)10-16(15)22-18/h4-11H,1-3H3,(H,24,25)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463487
PNG
((R)-2-Phenyl-3-(2-(trifluoromethyl)pyrrolidin-1-yl...)
Show SMILES OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCC[C@@H]1C(F)(F)F
Show InChI InChI=1S/C20H16F3N3O2/c21-20(22,23)16-7-4-10-26(16)18-17(12-5-2-1-3-6-12)24-14-9-8-13(19(27)28)11-15(14)25-18/h1-3,5-6,8-9,11,16H,4,7,10H2,(H,27,28)/t16-/m1/s1
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463527
PNG
(3-(2,3-Dihydrobenzo[b][1,4]oxazin-4-yl)-2-phenylqu...)
Show SMILES OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCOc2ccccc12
Show InChI InChI=1S/C23H17N3O3/c27-23(28)16-10-11-17-18(14-16)25-22(21(24-17)15-6-2-1-3-7-15)26-12-13-29-20-9-5-4-8-19(20)26/h1-11,14H,12-13H2,(H,27,28)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463492
PNG
((S)-2-(4-Fluorophenyl)-3-(2-methylpyrrolidin-1-yl)...)
Show SMILES C[C@H]1CCCN1c1nc2cc(ccc2nc1-c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C20H18FN3O2/c1-12-3-2-10-24(12)19-18(13-4-7-15(21)8-5-13)22-16-9-6-14(20(25)26)11-17(16)23-19/h4-9,11-12H,2-3,10H2,1H3,(H,25,26)/t12-/m0/s1
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463498
PNG
(2-(4-Fluorophenyl)-3-(3-methylpiperidin-1-yl)quino...)
Show SMILES CC1CCCN(C1)c1nc2cc(ccc2nc1-c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C21H20FN3O2/c1-13-3-2-10-25(12-13)20-19(14-4-7-16(22)8-5-14)23-17-9-6-15(21(26)27)11-18(17)24-20/h4-9,11,13H,2-3,10,12H2,1H3,(H,26,27)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463542
PNG
(3-(Octahydroquinolin-1(2H)-yl)-2-phenylquinoxaline...)
Show SMILES OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCCC2CCCCC12
Show InChI InChI=1S/C24H25N3O2/c28-24(29)18-12-13-19-20(15-18)26-23(22(25-19)17-8-2-1-3-9-17)27-14-6-10-16-7-4-5-11-21(16)27/h1-3,8-9,12-13,15-16,21H,4-7,10-11,14H2,(H,28,29)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463545
PNG
(3-(Isopropyl(methyl)amino)-2-(quinolin-3-yl)quinox...)
Show SMILES CC(C)N(C)c1nc2cc(ccc2nc1-c1cnc2ccccc2c1)C(O)=O
Show InChI InChI=1S/C22H20N4O2/c1-13(2)26(3)21-20(16-10-14-6-4-5-7-17(14)23-12-16)24-18-9-8-15(22(27)28)11-19(18)25-21/h4-13H,1-3H3,(H,27,28)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463467
PNG
(3-(4-Methylpiperazin-1-yl)-2-phenylquinoxaline-6-c...)
Show SMILES CN1CCN(CC1)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C20H20N4O2/c1-23-9-11-24(12-10-23)19-18(14-5-3-2-4-6-14)21-16-8-7-15(20(25)26)13-17(16)22-19/h2-8,13H,9-12H2,1H3,(H,25,26)
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463451
PNG
(2-Phenyl-3-(4-(pyrimidin-2-yl)piperazin-1-yl)quino...)
Show SMILES OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C23H20N6O2/c30-22(31)17-7-8-18-19(15-17)27-21(20(26-18)16-5-2-1-3-6-16)28-11-13-29(14-12-28)23-24-9-4-10-25-23/h1-10,15H,11-14H2,(H,30,31)
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BioEnergenix LLC

US Patent


Assay Description
Purified hPASK from insect cells (0.02 μg) is added to a 50 μL reaction mix containing 40 mM HEPES (pH 7.0), 100 mM KCl, 5 mM MgCl2, 1 mM D...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463493
PNG
(Butyl 2-(4-fluorophenyl)-3-(piperidin-1-yl)quinoxa...)
Show SMILES CCCCOC(=O)c1ccc2nc(-c3ccc(F)cc3)c(nc2c1)N1CCCCC1
Show InChI InChI=1S/C24H26FN3O2/c1-2-3-15-30-24(29)18-9-12-20-21(16-18)27-23(28-13-5-4-6-14-28)22(26-20)17-7-10-19(25)11-8-17/h7-12,16H,2-6,13-15H2,1H3
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463484
PNG
((S)-3-(2-Methylpyrrolidin-1-yl)-2-phenylquinoxalin...)
Show SMILES C[C@H]1CCCN1c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C20H19N3O2/c1-13-6-5-11-23(13)19-18(14-7-3-2-4-8-14)21-16-10-9-15(20(24)25)12-17(16)22-19/h2-4,7-10,12-13H,5-6,11H2,1H3,(H,24,25)/t13-/m0/s1
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463524
PNG
((S)-3-(Methyl(1-phenylethyl)amino)-2-phenylquinoxa...)
Show SMILES C[C@H](N(C)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C24H21N3O2/c1-16(17-9-5-3-6-10-17)27(2)23-22(18-11-7-4-8-12-18)25-20-14-13-19(24(28)29)15-21(20)26-23/h3-16H,1-2H3,(H,28,29)/t16-/m0/s1
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463502
PNG
(3-(Isopropyl(methyl)amino)-2-(pyridin-4-yl)quinoxa...)
Show SMILES CC(C)N(C)c1nc2cc(ccc2nc1-c1ccncc1)C(O)=O
Show InChI InChI=1S/C18H18N4O2/c1-11(2)22(3)17-16(12-6-8-19-9-7-12)20-14-5-4-13(18(23)24)10-15(14)21-17/h4-11H,1-3H3,(H,23,24)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463544
PNG
(US10781185, Example 98)
Show SMILES CC(C)N(C)c1nc2cc(ccc2nc1-c1ccco1)C(O)=O
Show InChI InChI=1S/C17H17N3O3/c1-10(2)20(3)16-15(14-5-4-8-23-14)18-12-7-6-11(17(21)22)9-13(12)19-16/h4-10H,1-3H3,(H,21,22)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463550
PNG
(2-(4-Fluorophenyl)-3-(methyl(piperidin-4-yl)amino)...)
Show SMILES CN(C1CCNCC1)c1nc2cc(ccc2nc1-c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C21H21FN4O2/c1-26(16-8-10-23-11-9-16)20-19(13-2-5-15(22)6-3-13)24-17-7-4-14(21(27)28)12-18(17)25-20/h2-7,12,16,23H,8-11H2,1H3,(H,27,28)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463554
PNG
(3-(Isopropyl(methyl)amino)-2-(thiophen-2-yl)quinox...)
Show SMILES CC(C)N(C)c1nc2cc(ccc2nc1-c1cccs1)C(O)=O
Show InChI InChI=1S/C17H17N3O2S/c1-10(2)20(3)16-15(14-5-4-8-23-14)18-12-7-6-11(17(21)22)9-13(12)19-16/h4-10H,1-3H3,(H,21,22)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463458
PNG
(3-(4-Fluorophenyl)-2-(4-(4-methoxyphenyl)piperidin...)
Show SMILES COc1ccc(cc1)C1CCN(CC1)c1nc2ccc(cc2nc1-c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C27H24FN3O3/c1-34-22-9-4-17(5-10-22)18-12-14-31(15-13-18)26-25(19-2-7-21(28)8-3-19)29-24-16-20(27(32)33)6-11-23(24)30-26/h2-11,16,18H,12-15H2,1H3,(H,32,33)
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BioEnergenix LLC

US Patent


Assay Description
Purified hPASK from insect cells (0.02 μg) is added to a 50 μL reaction mix containing 40 mM HEPES (pH 7.0), 100 mM KCl, 5 mM MgCl2, 1 mM D...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463459
PNG
(3-(4-Fluorophenyl)-2-(4-(pyridin-2-yl)piperazin-1-...)
Show SMILES OC(=O)c1ccc2nc(N3CCN(CC3)c3ccccn3)c(nc2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C24H20FN5O2/c25-18-7-4-16(5-8-18)22-23(28-19-9-6-17(24(31)32)15-20(19)27-22)30-13-11-29(12-14-30)21-3-1-2-10-26-21/h1-10,15H,11-14H2,(H,31,32)
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BioEnergenix LLC

US Patent


Assay Description
Purified hPASK from insect cells (0.02 μg) is added to a 50 μL reaction mix containing 40 mM HEPES (pH 7.0), 100 mM KCl, 5 mM MgCl2, 1 mM D...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463462
PNG
(2,3-Bis(4-phenylpiperidin-1-yl)quinoxaline-6-carbo...)
Show SMILES CCOC(=O)c1ccc2nc(N3CCC(CC3)c3ccccc3)c(nc2c1)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C33H36N4O2/c1-2-39-33(38)28-13-14-29-30(23-28)35-32(37-21-17-27(18-22-37)25-11-7-4-8-12-25)31(34-29)36-19-15-26(16-20-36)24-9-5-3-6-10-24/h3-14,23,26-27H,2,15-22H2,1H3
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BioEnergenix LLC

US Patent


Assay Description
Purified hPASK from insect cells (0.02 μg) is added to a 50 μL reaction mix containing 40 mM HEPES (pH 7.0), 100 mM KCl, 5 mM MgCl2, 1 mM D...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463469
PNG
(2-Phenyl-3-(4-phenylpiperazin-1-yl)quinoxaline-6-c...)
Show SMILES COC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C26H24N4O2/c1-32-26(31)20-12-13-22-23(18-20)28-25(24(27-22)19-8-4-2-5-9-19)30-16-14-29(15-17-30)21-10-6-3-7-11-21/h2-13,18H,14-17H2,1H3
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463473
PNG
(3-(4-(3-Chlorophenyl)piperidin-1-yl)-2-phenylquino...)
Show SMILES OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCC(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C26H22ClN3O2/c27-21-8-4-7-19(15-21)17-11-13-30(14-12-17)25-24(18-5-2-1-3-6-18)28-22-10-9-20(26(31)32)16-23(22)29-25/h1-10,15-17H,11-14H2,(H,31,32)
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463448
PNG
(3-Morpholino-2-phenylquinoxaline-6-carboxylic acid...)
Show SMILES OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCOCC1
Show InChI InChI=1S/C19H17N3O3/c23-19(24)14-6-7-15-16(12-14)21-18(22-8-10-25-11-9-22)17(20-15)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,23,24)
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463451
PNG
(2-Phenyl-3-(4-(pyrimidin-2-yl)piperazin-1-yl)quino...)
Show SMILES OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C23H20N6O2/c30-22(31)17-7-8-18-19(15-17)27-21(20(26-18)16-5-2-1-3-6-16)28-11-13-29(14-12-28)23-24-9-4-10-25-23/h1-10,15H,11-14H2,(H,30,31)
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463453
PNG
(2-phenyl-3-(4-(quinolin-2-yl)piperazin-1-yl)quinox...)
Show SMILES OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCN(CC1)c1ccc2ccccc2n1
Show InChI InChI=1S/C28H23N5O2/c34-28(35)21-10-12-23-24(18-21)31-27(26(30-23)20-7-2-1-3-8-20)33-16-14-32(15-17-33)25-13-11-19-6-4-5-9-22(19)29-25/h1-13,18H,14-17H2,(H,34,35)
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463462
PNG
(2,3-Bis(4-phenylpiperidin-1-yl)quinoxaline-6-carbo...)
Show SMILES CCOC(=O)c1ccc2nc(N3CCC(CC3)c3ccccc3)c(nc2c1)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C33H36N4O2/c1-2-39-33(38)28-13-14-29-30(23-28)35-32(37-21-17-27(18-22-37)25-11-7-4-8-12-25)31(34-29)36-19-15-26(16-20-36)24-9-5-3-6-10-24/h3-14,23,26-27H,2,15-22H2,1H3
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463478
PNG
(3-(4-(N-Methylmethan-3-ylsulfonamido)piperidin-1-y...)
Show SMILES CN(C1CCN(CC1)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O)S(C)(=O)=O
Show InChI InChI=1S/C22H24N4O4S/c1-25(31(2,29)30)17-10-12-26(13-11-17)21-20(15-6-4-3-5-7-15)23-18-9-8-16(22(27)28)14-19(18)24-21/h3-9,14,17H,10-13H2,1-2H3,(H,27,28)
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463482
PNG
((R)-3-(2-(Methoxymethyl)pyrrolidin-1-yl)-2-phenylq...)
Show SMILES COC[C@H]1CCCN1c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C21H21N3O3/c1-27-13-16-8-5-11-24(16)20-19(14-6-3-2-4-7-14)22-17-10-9-15(21(25)26)12-18(17)23-20/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3,(H,25,26)/t16-/m1/s1
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463488
PNG
(3-(6-Methoxy-3,4-dihydroquinolin-1(2H)-yl)-2-pheny...)
Show SMILES COc1ccc2N(CCCc2c1)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C25H21N3O3/c1-31-19-10-12-22-17(14-19)8-5-13-28(22)24-23(16-6-3-2-4-7-16)26-20-11-9-18(25(29)30)15-21(20)27-24/h2-4,6-7,9-12,14-15H,5,8,13H2,1H3,(H,29,30)
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463490
PNG
(2-(4-Chlorophenyl)-3-(isopropyl(methyl)amino)quino...)
Show SMILES CC(C)N(C)c1nc2cc(ccc2nc1-c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C19H18ClN3O2/c1-11(2)23(3)18-17(12-4-7-14(20)8-5-12)21-15-9-6-13(19(24)25)10-16(15)22-18/h4-11H,1-3H3,(H,24,25)
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463501
PNG
(2-(1H-Indol-5-yl)-3-(isopropyl(methyl)amino)quinox...)
Show SMILES CC(C)N(C)c1nc2cc(ccc2nc1-c1ccc2[nH]ccc2c1)C(O)=O
Show InChI InChI=1S/C21H20N4O2/c1-12(2)25(3)20-19(14-4-6-16-13(10-14)8-9-22-16)23-17-7-5-15(21(26)27)11-18(17)24-20/h4-12,22H,1-3H3,(H,26,27)
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463513
PNG
(3-(Methyl(phenethyl)amino)-2-phenylquinoxaline-6-c...)
Show SMILES CN(CCc1ccccc1)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C24H21N3O2/c1-27(15-14-17-8-4-2-5-9-17)23-22(18-10-6-3-7-11-18)25-20-13-12-19(24(28)29)16-21(20)26-23/h2-13,16H,14-15H2,1H3,(H,28,29)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463488
PNG
(3-(6-Methoxy-3,4-dihydroquinolin-1(2H)-yl)-2-pheny...)
Show SMILES COc1ccc2N(CCCc2c1)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C25H21N3O3/c1-31-19-10-12-22-17(14-19)8-5-13-28(22)24-23(16-6-3-2-4-7-16)26-20-11-9-18(25(29)30)15-21(20)27-24/h2-4,6-7,9-12,14-15H,5,8,13H2,1H3,(H,29,30)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463496
PNG
(2-(4-Fluorophenyl)-3-(3-(methoxymethyl)piperidin-1...)
Show SMILES COCC1CCCN(C1)c1nc2cc(ccc2nc1-c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C22H22FN3O3/c1-29-13-14-3-2-10-26(12-14)21-20(15-4-7-17(23)8-5-15)24-18-9-6-16(22(27)28)11-19(18)25-21/h4-9,11,14H,2-3,10,12-13H2,1H3,(H,27,28)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463499
PNG
(2-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-3-(isoprop...)
Show SMILES CC(C)N(C)c1nc2cc(ccc2nc1-c1ccc2OCCOc2c1)C(O)=O
Show InChI InChI=1S/C21H21N3O4/c1-12(2)24(3)20-19(13-5-7-17-18(11-13)28-9-8-27-17)22-15-6-4-14(21(25)26)10-16(15)23-20/h4-7,10-12H,8-9H2,1-3H3,(H,25,26)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463540
PNG
((S)-3-(2-Methyl-4-(pyridin-2-yl)piperazin-1-yl)-2-...)
Show SMILES C[C@H]1CN(CCN1c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O)c1ccccn1
Show InChI InChI=1S/C25H23N5O2/c1-17-16-29(22-9-5-6-12-26-22)13-14-30(17)24-23(18-7-3-2-4-8-18)27-20-11-10-19(25(31)32)15-21(20)28-24/h2-12,15,17H,13-14,16H2,1H3,(H,31,32)/t17-/m0/s1
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463541
PNG
(2-(Benzo[d][1,3]dioxol-5-yl)-3-(3,4-dihydroquinoli...)
Show SMILES OC(=O)c1ccc2nc(-c3ccc4OCOc4c3)c(nc2c1)N1CCCc2ccccc12
Show InChI InChI=1S/C25H19N3O4/c29-25(30)17-7-9-18-19(12-17)27-24(28-11-3-5-15-4-1-2-6-20(15)28)23(26-18)16-8-10-21-22(13-16)32-14-31-21/h1-2,4,6-10,12-13H,3,5,11,14H2,(H,29,30)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463547
PNG
(3-(1,1-Dioxidothiomorpholino)-2-(4-fluorophenyl)qu...)
Show SMILES OC(=O)c1ccc2nc(-c3ccc(F)cc3)c(nc2c1)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C19H16FN3O4S/c20-14-4-1-12(2-5-14)17-18(23-7-9-28(26,27)10-8-23)22-16-11-13(19(24)25)3-6-15(16)21-17/h1-6,11H,7-10H2,(H,24,25)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463551
PNG
(2-(4-Fluorophenyl)-3-(methyl(tetrahydro-2H-pyran-4...)
Show SMILES CN(C1CCOCC1)c1nc2cc(ccc2nc1-c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C21H20FN3O3/c1-25(16-8-10-28-11-9-16)20-19(13-2-5-15(22)6-3-13)23-17-7-4-14(21(26)27)12-18(17)24-20/h2-7,12,16H,8-11H2,1H3,(H,26,27)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463454
PNG
(2-(Azepan-1-yl)-3-phenylquinoxaline-6-carboxylic a...)
Show SMILES OC(=O)c1ccc2nc(N3CCCCCC3)c(nc2c1)-c1ccccc1
Show InChI InChI=1S/C21H21N3O2/c25-21(26)16-10-11-17-18(14-16)22-19(15-8-4-3-5-9-15)20(23-17)24-12-6-1-2-7-13-24/h3-5,8-11,14H,1-2,6-7,12-13H2,(H,25,26)
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BioEnergenix LLC

US Patent


Assay Description
Purified hPASK from insect cells (0.02 μg) is added to a 50 μL reaction mix containing 40 mM HEPES (pH 7.0), 100 mM KCl, 5 mM MgCl2, 1 mM D...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463463
PNG
(2,3-Bis(4-methoxyphenyl)-6-(1H-tetrazol-5-yl)quino...)
Show SMILES COc1ccc(cc1)-c1nc2ccc(cc2nc1-c1ccc(OC)cc1)-c1nnn[nH]1
Show InChI InChI=1S/C23H18N6O2/c1-30-17-8-3-14(4-9-17)21-22(15-5-10-18(31-2)11-6-15)25-20-13-16(7-12-19(20)24-21)23-26-28-29-27-23/h3-13H,1-2H3,(H,26,27,28,29)
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463479
PNG
(3-(3,4-Dihydroquinolin-1(2H)-yl)-2-phenylquinoxali...)
Show SMILES OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCCc2ccccc12
Show InChI InChI=1S/C24H19N3O2/c28-24(29)18-12-13-19-20(15-18)26-23(22(25-19)17-8-2-1-3-9-17)27-14-6-10-16-7-4-5-11-21(16)27/h1-5,7-9,11-13,15H,6,10,14H2,(H,28,29)
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463487
PNG
((R)-2-Phenyl-3-(2-(trifluoromethyl)pyrrolidin-1-yl...)
Show SMILES OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCC[C@@H]1C(F)(F)F
Show InChI InChI=1S/C20H16F3N3O2/c21-20(22,23)16-7-4-10-26(16)18-17(12-5-2-1-3-6-12)24-14-9-8-13(19(27)28)11-15(14)25-18/h1-3,5-6,8-9,11,16H,4,7,10H2,(H,27,28)/t16-/m1/s1
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463489
PNG
(2-(3,4-Difluorophenyl)-3-(isopropyl(methyl)amino)q...)
Show SMILES CC(C)N(C)c1nc2cc(ccc2nc1-c1ccc(F)c(F)c1)C(O)=O
Show InChI InChI=1S/C19H17F2N3O2/c1-10(2)24(3)18-17(11-4-6-13(20)14(21)8-11)22-15-7-5-12(19(25)26)9-16(15)23-18/h4-10H,1-3H3,(H,25,26)
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463499
PNG
(2-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-3-(isoprop...)
Show SMILES CC(C)N(C)c1nc2cc(ccc2nc1-c1ccc2OCCOc2c1)C(O)=O
Show InChI InChI=1S/C21H21N3O4/c1-12(2)24(3)20-19(13-5-7-17-18(11-13)28-9-8-27-17)22-15-6-4-14(21(25)26)10-16(15)23-20/h4-7,10-12H,8-9H2,1-3H3,(H,25,26)
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463506
PNG
(3-(4-(N-Methylacetamido)piperidin-1-yl)-2-phenylqu...)
Show SMILES CN(C1CCN(CC1)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O)C(C)=O
Show InChI InChI=1S/C23H24N4O3/c1-15(28)26(2)18-10-12-27(13-11-18)22-21(16-6-4-3-5-7-16)24-19-9-8-17(23(29)30)14-20(19)25-22/h3-9,14,18H,10-13H2,1-2H3,(H,29,30)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463510
PNG
(3-(N-Methylmethan-5-ylsulfonamido)-2-phenylquinoxa...)
Show SMILES CN(c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O)S(C)(=O)=O
Show InChI InChI=1S/C17H15N3O4S/c1-20(25(2,23)24)16-15(11-6-4-3-5-7-11)18-13-9-8-12(17(21)22)10-14(13)19-16/h3-10H,1-2H3,(H,21,22)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463512
PNG
(3-(Phenethylamino)-2-phenylquinoxaline-6-carboxyli...)
Show SMILES OC(=O)c1ccc2nc(c(NCCc3ccccc3)nc2c1)-c1ccccc1
Show InChI InChI=1S/C23H19N3O2/c27-23(28)18-11-12-19-20(15-18)26-22(21(25-19)17-9-5-2-6-10-17)24-14-13-16-7-3-1-4-8-16/h1-12,15H,13-14H2,(H,24,26)(H,27,28)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463486
PNG
(3-(Isopropyl(methyl)amino)-2-(4-methoxyphenyl)quin...)
Show SMILES COc1ccc(cc1)-c1nc2ccc(cc2nc1N(C)C(C)C)C(O)=O
Show InChI InChI=1S/C20H21N3O3/c1-12(2)23(3)19-18(13-5-8-15(26-4)9-6-13)21-16-10-7-14(20(24)25)11-17(16)22-19/h5-12H,1-4H3,(H,24,25)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463530
PNG
(2-(3-Fluorophenyl)-3-(isopropyl(methyl)amino)quino...)
Show SMILES CC(C)N(C)c1nc2cc(ccc2nc1-c1cccc(F)c1)C(O)=O
Show InChI InChI=1S/C19H18FN3O2/c1-11(2)23(3)18-17(12-5-4-6-14(20)9-12)21-15-8-7-13(19(24)25)10-16(15)22-18/h4-11H,1-3H3,(H,24,25)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463497
PNG
(3-(3,3-Dimethylpiperidin-1-yl)-2-(4-fluorophenyl)q...)
Show SMILES CC1(C)CCCN(C1)c1nc2cc(ccc2nc1-c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C22H22FN3O2/c1-22(2)10-3-11-26(13-22)20-19(14-4-7-16(23)8-5-14)24-17-9-6-15(21(27)28)12-18(17)25-20/h4-9,12H,3,10-11,13H2,1-2H3,(H,27,28)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463534
PNG
(3-(Isopropyl(methyl)amino)-2-(4-(trifluoromethoxy)...)
Show SMILES CC(C)N(C)c1nc2cc(ccc2nc1-c1ccc(OC(F)(F)F)cc1)C(O)=O
Show InChI InChI=1S/C20H18F3N3O3/c1-11(2)26(3)18-17(12-4-7-14(8-5-12)29-20(21,22)23)24-15-9-6-13(19(27)28)10-16(15)25-18/h4-11H,1-3H3,(H,27,28)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463537
PNG
((S)-2-(4-Fluorophenyl)-3-(2-methylpiperidin-1-yl)q...)
Show SMILES C[C@H]1CCCCN1c1nc2cc(ccc2nc1-c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C21H20FN3O2/c1-13-4-2-3-11-25(13)20-19(14-5-8-16(22)9-6-14)23-17-10-7-15(21(26)27)12-18(17)24-20/h5-10,12-13H,2-4,11H2,1H3,(H,26,27)/t13-/m0/s1
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463539
PNG
((R)-2-(4-Fluorophenyl)-3-(2-(methoxymethyl)pyrroli...)
Show SMILES COC[C@H]1CCCN1c1nc2cc(ccc2nc1-c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C21H20FN3O3/c1-28-12-16-3-2-10-25(16)20-19(13-4-7-15(22)8-5-13)23-17-9-6-14(21(26)27)11-18(17)24-20/h4-9,11,16H,2-3,10,12H2,1H3,(H,26,27)/t16-/m1/s1
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463464
PNG
(2-Phenyl-3-(4-(4-(trifluoromethyl)phenyl)piperazin...)
Show SMILES OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCN(CC1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C26H21F3N4O2/c27-26(28,29)19-7-9-20(10-8-19)32-12-14-33(15-13-32)24-23(17-4-2-1-3-5-17)30-21-11-6-18(25(34)35)16-22(21)31-24/h1-11,16H,12-15H2,(H,34,35)
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463466
PNG
(3-(4-(3-Chlorophenyl)piperazin-1-yl)-2-phenylquino...)
Show SMILES OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C25H21ClN4O2/c26-19-7-4-8-20(16-19)29-11-13-30(14-12-29)24-23(17-5-2-1-3-6-17)27-21-10-9-18(25(31)32)15-22(21)28-24/h1-10,15-16H,11-14H2,(H,31,32)
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463472
PNG
(3-(4-(4-Methoxyphenyl)piperazin-1-yl)-2-phenylquin...)
Show SMILES COc1ccc(cc1)N1CCN(CC1)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C26H24N4O3/c1-33-21-10-8-20(9-11-21)29-13-15-30(16-14-29)25-24(18-5-3-2-4-6-18)27-22-12-7-19(26(31)32)17-23(22)28-25/h2-12,17H,13-16H2,1H3,(H,31,32)
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463450
PNG
(3-(Isopropylamino)-2-phenylquinoxaline-6-carboxyli...)
Show SMILES CC(C)Nc1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C18H17N3O2/c1-11(2)19-17-16(12-6-4-3-5-7-12)20-14-9-8-13(18(22)23)10-15(14)21-17/h3-11H,1-2H3,(H,19,21)(H,22,23)
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BioEnergenix LLC

US Patent


Assay Description
Purified hPASK from insect cells (0.02 μg) is added to a 50 μL reaction mix containing 40 mM HEPES (pH 7.0), 100 mM KCl, 5 mM MgCl2, 1 mM D...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463452
PNG
(2-Phenyl-3-(4-(5-(trifluoromethyl)pyridin-2-yl)pip...)
Show SMILES OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C25H20F3N5O2/c26-25(27,28)18-7-9-21(29-15-18)32-10-12-33(13-11-32)23-22(16-4-2-1-3-5-16)30-19-8-6-17(24(34)35)14-20(19)31-23/h1-9,14-15H,10-13H2,(H,34,35)
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BioEnergenix LLC

US Patent


Assay Description
Purified hPASK from insect cells (0.02 μg) is added to a 50 μL reaction mix containing 40 mM HEPES (pH 7.0), 100 mM KCl, 5 mM MgCl2, 1 mM D...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463450
PNG
(3-(Isopropylamino)-2-phenylquinoxaline-6-carboxyli...)
Show SMILES CC(C)Nc1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C18H17N3O2/c1-11(2)19-17-16(12-6-4-3-5-7-12)20-14-9-8-13(18(22)23)10-15(14)21-17/h3-11H,1-2H3,(H,19,21)(H,22,23)
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463458
PNG
(3-(4-Fluorophenyl)-2-(4-(4-methoxyphenyl)piperidin...)
Show SMILES COc1ccc(cc1)C1CCN(CC1)c1nc2ccc(cc2nc1-c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C27H24FN3O3/c1-34-22-9-4-17(5-10-22)18-12-14-31(15-13-18)26-25(19-2-7-21(28)8-3-19)29-24-16-20(27(32)33)6-11-23(24)30-26/h2-11,16,18H,12-15H2,1H3,(H,32,33)
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463491
PNG
(3-(Cyclopentyl(methyl)amino)-2-phenylquinoxaline-6...)
Show SMILES CN(C1CCCC1)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C21H21N3O2/c1-24(16-9-5-6-10-16)20-19(14-7-3-2-4-8-14)22-17-12-11-15(21(25)26)13-18(17)23-20/h2-4,7-8,11-13,16H,5-6,9-10H2,1H3,(H,25,26)
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463494
PNG
(3-(Azepan-1-yl)-2-(4-fluorophenyl)quinoxaline-6-ca...)
Show SMILES OC(=O)c1ccc2nc(-c3ccc(F)cc3)c(nc2c1)N1CCCCCC1
Show InChI InChI=1S/C21H20FN3O2/c22-16-8-5-14(6-9-16)19-20(25-11-3-1-2-4-12-25)24-18-13-15(21(26)27)7-10-17(18)23-19/h5-10,13H,1-4,11-12H2,(H,26,27)
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463500
PNG
(2-(Benzo[d][1,3]dioxol-5-yl)-3-((S)-2-methylpyrrol...)
Show SMILES C[C@H]1CCCN1c1nc2cc(ccc2nc1-c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C21H19N3O4/c1-12-3-2-8-24(12)20-19(13-5-7-17-18(10-13)28-11-27-17)22-15-6-4-14(21(25)26)9-16(15)23-20/h4-7,9-10,12H,2-3,8,11H2,1H3,(H,25,26)/t12-/m0/s1
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463503
PNG
(2-(H-Imidazo[1,2-a]pyridin-6-yl)-3-(isopropyl(meth...)
Show SMILES CC(C)N(C)c1nc2cc(ccc2nc1-c1ccc2nccn2c1)C(O)=O
Show InChI InChI=1S/C20H19N5O2/c1-12(2)24(3)19-18(14-5-7-17-21-8-9-25(17)11-14)22-15-6-4-13(20(26)27)10-16(15)23-19/h4-12H,1-3H3,(H,26,27)
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463504
PNG
(2-(Benzofuran-2-yl)-3-(isopropyl(methyl)amino)quin...)
Show SMILES CC(C)N(C)c1nc2cc(ccc2nc1-c1cc2ccccc2o1)C(O)=O
Show InChI InChI=1S/C21H19N3O3/c1-12(2)24(3)20-19(18-11-13-6-4-5-7-17(13)27-18)22-15-9-8-14(21(25)26)10-16(15)23-20/h4-12H,1-3H3,(H,25,26)
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463519
PNG
((S)-3-(3-Hydroxypyrrolidin-1-yl)-2-phenylquinoxali...)
Show SMILES O[C@H]1CCN(C1)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C19H17N3O3/c23-14-8-9-22(11-14)18-17(12-4-2-1-3-5-12)20-15-7-6-13(19(24)25)10-16(15)21-18/h1-7,10,14,23H,8-9,11H2,(H,24,25)/t14-/m0/s1
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463490
PNG
(2-(4-Chlorophenyl)-3-(isopropyl(methyl)amino)quino...)
Show SMILES CC(C)N(C)c1nc2cc(ccc2nc1-c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C19H18ClN3O2/c1-11(2)23(3)18-17(12-4-7-14(20)8-5-12)21-15-9-6-13(19(24)25)10-16(15)22-18/h4-11H,1-3H3,(H,24,25)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463531
PNG
(2-(2-Fluorophenyl)-3-(isopropyl(methyl)amino)quino...)
Show SMILES CC(C)N(C)c1nc2cc(ccc2nc1-c1ccccc1F)C(O)=O
Show InChI InChI=1S/C19H18FN3O2/c1-11(2)23(3)18-17(13-6-4-5-7-14(13)20)21-15-9-8-12(19(24)25)10-16(15)22-18/h4-11H,1-3H3,(H,24,25)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463548
PNG
(3-(1,1-Dioxidothiomorpholino)-2-phenylquinoxaline-...)
Show SMILES OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C19H17N3O4S/c23-19(24)14-6-7-15-16(12-14)21-18(22-8-10-27(25,26)11-9-22)17(20-15)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,23,24)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463556
PNG
(2-(4-Fluorophenyl)-3-(4-methyl-3-oxopiperazin-1-yl...)
Show SMILES CN1CCN(CC1=O)c1nc2cc(ccc2nc1-c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C20H17FN4O3/c1-24-8-9-25(11-17(24)26)19-18(12-2-5-14(21)6-3-12)22-15-7-4-13(20(27)28)10-16(15)23-19/h2-7,10H,8-9,11H2,1H3,(H,27,28)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463457
PNG
(2-(4-(3-Chlorophenyl)piperidin-1-yl)-3-(4-fluoroph...)
Show SMILES OC(=O)c1ccc2nc(N3CCC(CC3)c3cccc(Cl)c3)c(nc2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H21ClFN3O2/c27-20-3-1-2-18(14-20)16-10-12-31(13-11-16)25-24(17-4-7-21(28)8-5-17)29-23-15-19(26(32)33)6-9-22(23)30-25/h1-9,14-16H,10-13H2,(H,32,33)
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BioEnergenix LLC

US Patent


Assay Description
Purified hPASK from insect cells (0.02 μg) is added to a 50 μL reaction mix containing 40 mM HEPES (pH 7.0), 100 mM KCl, 5 mM MgCl2, 1 mM D...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463468
PNG
(2-Phenyl-3-(piperazin-1-yl)quinoxaline-6-carboxyli...)
Show SMILES OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCNCC1
Show InChI InChI=1S/C19H18N4O2/c24-19(25)14-6-7-15-16(12-14)22-18(23-10-8-20-9-11-23)17(21-15)13-4-2-1-3-5-13/h1-7,12,20H,8-11H2,(H,24,25)
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463476
PNG
(3-(Azepan-1-yl)-2-phenylquinoxaline-6-carboxylic a...)
Show SMILES OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCCCCC1
Show InChI InChI=1S/C21H21N3O2/c25-21(26)16-10-11-17-18(14-16)23-20(24-12-6-1-2-7-13-24)19(22-17)15-8-4-3-5-9-15/h3-5,8-11,14H,1-2,6-7,12-13H2,(H,25,26)
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463477
PNG
(3-(4-(4-Chlorophenyl)piperidin-1-yl)-2-phenylquino...)
Show SMILES OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCC(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H22ClN3O2/c27-21-9-6-17(7-10-21)18-12-14-30(15-13-18)25-24(19-4-2-1-3-5-19)28-22-11-8-20(26(31)32)16-23(22)29-25/h1-11,16,18H,12-15H2,(H,31,32)
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463449
PNG
(3-(4-Methyl-1,4-diazepan-1-yl)-2-phenylquinoxaline...)
Show SMILES CN1CCCN(CC1)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C21H22N4O2/c1-24-10-5-11-25(13-12-24)20-19(15-6-3-2-4-7-15)22-17-9-8-16(21(26)27)14-18(17)23-20/h2-4,6-9,14H,5,10-13H2,1H3,(H,26,27)
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BioEnergenix LLC

US Patent


Assay Description
Purified hPASK from insect cells (0.02 μg) is added to a 50 μL reaction mix containing 40 mM HEPES (pH 7.0), 100 mM KCl, 5 mM MgCl2, 1 mM D...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463449
PNG
(3-(4-Methyl-1,4-diazepan-1-yl)-2-phenylquinoxaline...)
Show SMILES CN1CCCN(CC1)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C21H22N4O2/c1-24-10-5-11-25(13-12-24)20-19(15-6-3-2-4-7-15)22-17-9-8-16(21(26)27)14-18(17)23-20/h2-4,6-9,14H,5,10-13H2,1H3,(H,26,27)
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463460
PNG
(2-Phenyl-3-(4-(3-(trifluoromethyl)pyridin-2-yl)pip...)
Show SMILES OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCN(CC1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C25H20F3N5O2/c26-25(27,28)18-7-4-10-29-22(18)32-11-13-33(14-12-32)23-21(16-5-2-1-3-6-16)30-19-9-8-17(24(34)35)15-20(19)31-23/h1-10,15H,11-14H2,(H,34,35)
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463483
PNG
((R)-3-(2-(Hydroxymethyl)pyrrolidin-1-yl)-2-phenylq...)
Show SMILES OC[C@H]1CCCN1c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C20H19N3O3/c24-12-15-7-4-10-23(15)19-18(13-5-2-1-3-6-13)21-16-9-8-14(20(25)26)11-17(16)22-19/h1-3,5-6,8-9,11,15,24H,4,7,10,12H2,(H,25,26)/t15-/m1/s1
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463495
PNG
(2-(Benzo[d][1,3]dioxol-5-yl)-3-(isopropyl(methyl)a...)
Show SMILES CC(C)N(C)c1nc2cc(ccc2nc1-c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C20H19N3O4/c1-11(2)23(3)19-18(12-5-7-16-17(9-12)27-10-26-16)21-14-6-4-13(20(24)25)8-15(14)22-19/h4-9,11H,10H2,1-3H3,(H,24,25)
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463498
PNG
(2-(4-Fluorophenyl)-3-(3-methylpiperidin-1-yl)quino...)
Show SMILES CC1CCCN(C1)c1nc2cc(ccc2nc1-c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C21H20FN3O2/c1-13-3-2-10-25(12-13)20-19(14-4-7-16(22)8-5-14)23-17-9-6-15(21(26)27)11-18(17)24-20/h4-9,11,13H,2-3,10,12H2,1H3,(H,26,27)
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463502
PNG
(3-(Isopropyl(methyl)amino)-2-(pyridin-4-yl)quinoxa...)
Show SMILES CC(C)N(C)c1nc2cc(ccc2nc1-c1ccncc1)C(O)=O
Show InChI InChI=1S/C18H18N4O2/c1-11(2)22(3)17-16(12-6-8-19-9-7-12)20-14-5-4-13(18(23)24)10-15(14)21-17/h4-11H,1-3H3,(H,23,24)
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463511
PNG
(3-(3,4-Dihydroisoquinolin-2(1H)-yl)-2-phenylquinox...)
Show SMILES OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCc2ccccc2C1
Show InChI InChI=1S/C24H19N3O2/c28-24(29)18-10-11-20-21(14-18)26-23(22(25-20)17-7-2-1-3-8-17)27-13-12-16-6-4-5-9-19(16)15-27/h1-11,14H,12-13,15H2,(H,28,29)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463480
PNG
(3-(Isopropyl(methyl)amino)-2-phenylquinoxaline-6-c...)
Show SMILES CC(C)N(C)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C19H19N3O2/c1-12(2)22(3)18-17(13-7-5-4-6-8-13)20-15-10-9-14(19(23)24)11-16(15)21-18/h4-12H,1-3H3,(H,23,24)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463515
PNG
(3-(2-Methylpiperidin-1-yl)-2-phenylquinoxaline-6-c...)
Show SMILES CC1CCCCN1c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C21H21N3O2/c1-14-7-5-6-12-24(14)20-19(15-8-3-2-4-9-15)22-17-11-10-16(21(25)26)13-18(17)23-20/h2-4,8-11,13-14H,5-7,12H2,1H3,(H,25,26)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463482
PNG
((R)-3-(2-(Methoxymethyl)pyrrolidin-1-yl)-2-phenylq...)
Show SMILES COC[C@H]1CCCN1c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C21H21N3O3/c1-27-13-16-8-5-11-24(16)20-19(14-6-3-2-4-7-14)22-17-10-9-15(21(25)26)12-18(17)23-20/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3,(H,25,26)/t16-/m1/s1
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463521
PNG
(3-(3-Methylmorpholino)-2-phenylquinoxaline-6-carbo...)
Show SMILES CC1COCCN1c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C20H19N3O3/c1-13-12-26-10-9-23(13)19-18(14-5-3-2-4-6-14)21-16-8-7-15(20(24)25)11-17(16)22-19/h2-8,11,13H,9-10,12H2,1H3,(H,24,25)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463484
PNG
((S)-3-(2-Methylpyrrolidin-1-yl)-2-phenylquinoxalin...)
Show SMILES C[C@H]1CCCN1c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C20H19N3O2/c1-13-6-5-11-23(13)19-18(14-7-3-2-4-8-14)21-16-10-9-15(20(24)25)12-17(16)22-19/h2-4,7-10,12-13H,5-6,11H2,1H3,(H,24,25)/t13-/m0/s1
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463489
PNG
(2-(3,4-Difluorophenyl)-3-(isopropyl(methyl)amino)q...)
Show SMILES CC(C)N(C)c1nc2cc(ccc2nc1-c1ccc(F)c(F)c1)C(O)=O
Show InChI InChI=1S/C19H17F2N3O2/c1-10(2)24(3)18-17(11-4-6-13(20)14(21)8-11)22-15-7-5-12(19(25)26)9-16(15)23-18/h4-10H,1-3H3,(H,25,26)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463529
PNG
(3-(Isopropyl(methyl)amino)-2-(3-methoxyphenyl)quin...)
Show SMILES COc1cccc(c1)-c1nc2ccc(cc2nc1N(C)C(C)C)C(O)=O
Show InChI InChI=1S/C20H21N3O3/c1-12(2)23(3)19-18(13-6-5-7-15(10-13)26-4)21-16-9-8-14(20(24)25)11-17(16)22-19/h5-12H,1-4H3,(H,24,25)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463493
PNG
(Butyl 2-(4-fluorophenyl)-3-(piperidin-1-yl)quinoxa...)
Show SMILES CCCCOC(=O)c1ccc2nc(-c3ccc(F)cc3)c(nc2c1)N1CCCCC1
Show InChI InChI=1S/C24H26FN3O2/c1-2-3-15-30-24(29)18-9-12-20-21(16-18)27-23(28-13-5-4-6-14-28)22(26-20)17-7-10-19(25)11-8-17/h7-12,16H,2-6,13-15H2,1H3
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463495
PNG
(2-(Benzo[d][1,3]dioxol-5-yl)-3-(isopropyl(methyl)a...)
Show SMILES CC(C)N(C)c1nc2cc(ccc2nc1-c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C20H19N3O4/c1-11(2)23(3)19-18(12-5-7-16-17(9-12)27-10-26-16)21-14-6-4-13(20(24)25)8-15(14)22-19/h4-9,11H,10H2,1-3H3,(H,24,25)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463501
PNG
(2-(1H-Indol-5-yl)-3-(isopropyl(methyl)amino)quinox...)
Show SMILES CC(C)N(C)c1nc2cc(ccc2nc1-c1ccc2[nH]ccc2c1)C(O)=O
Show InChI InChI=1S/C21H20N4O2/c1-12(2)25(3)20-19(14-4-6-16-13(10-14)8-9-22-16)23-17-7-5-15(21(26)27)11-18(17)24-20/h4-12,22H,1-3H3,(H,26,27)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463549
PNG
(2-(4-Fluorophenyl)-3-(3-oxopiperazin-1-yl)quinoxal...)
Show SMILES OC(=O)c1ccc2nc(-c3ccc(F)cc3)c(nc2c1)N1CCNC(=O)C1
Show InChI InChI=1S/C19H15FN4O3/c20-13-4-1-11(2-5-13)17-18(24-8-7-21-16(25)10-24)23-15-9-12(19(26)27)3-6-14(15)22-17/h1-6,9H,7-8,10H2,(H,21,25)(H,26,27)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463456
PNG
(2-(4-(4-Chlorophenyl)piperidin-1-yl)-3-(4-fluoroph...)
Show SMILES OC(=O)c1ccc2nc(N3CCC(CC3)c3ccc(Cl)cc3)c(nc2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H21ClFN3O2/c27-20-6-1-16(2-7-20)17-11-13-31(14-12-17)25-24(18-3-8-21(28)9-4-18)29-23-15-19(26(32)33)5-10-22(23)30-25/h1-10,15,17H,11-14H2,(H,32,33)
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BioEnergenix LLC

US Patent


Assay Description
Purified hPASK from insect cells (0.02 μg) is added to a 50 μL reaction mix containing 40 mM HEPES (pH 7.0), 100 mM KCl, 5 mM MgCl2, 1 mM D...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463442
PNG
(3-(4-(4-Methoxyphenyl)piperidin-1-yl)-2-phenylquin...)
Show SMILES COc1ccc(cc1)C1CCN(CC1)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C27H25N3O3/c1-33-22-10-7-18(8-11-22)19-13-15-30(16-14-19)26-25(20-5-3-2-4-6-20)28-23-12-9-21(27(31)32)17-24(23)29-26/h2-12,17,19H,13-16H2,1H3,(H,31,32)
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BioEnergenix LLC

US Patent


Assay Description
Purified hPASK from insect cells (0.02 μg) is added to a 50 μL reaction mix containing 40 mM HEPES (pH 7.0), 100 mM KCl, 5 mM MgCl2, 1 mM D...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463480
PNG
(3-(Isopropyl(methyl)amino)-2-phenylquinoxaline-6-c...)
Show SMILES CC(C)N(C)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C19H19N3O2/c1-12(2)22(3)18-17(13-7-5-4-6-8-13)20-15-10-9-14(19(23)24)11-16(15)21-18/h4-12H,1-3H3,(H,23,24)
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463484
PNG
((S)-3-(2-Methylpyrrolidin-1-yl)-2-phenylquinoxalin...)
Show SMILES C[C@H]1CCCN1c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C20H19N3O2/c1-13-6-5-11-23(13)19-18(14-7-3-2-4-8-14)21-16-10-9-15(20(24)25)12-17(16)22-19/h2-4,7-10,12-13H,5-6,11H2,1H3,(H,24,25)/t13-/m0/s1
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463485
PNG
(2-(4-Fluorophenyl)-3-(isopropyl(methyl)amino)quino...)
Show SMILES CC(C)N(C)c1nc2cc(ccc2nc1-c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C19H18FN3O2/c1-11(2)23(3)18-17(12-4-7-14(20)8-5-12)21-15-9-6-13(19(24)25)10-16(15)22-18/h4-11H,1-3H3,(H,24,25)
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463497
PNG
(3-(3,3-Dimethylpiperidin-1-yl)-2-(4-fluorophenyl)q...)
Show SMILES CC1(C)CCCN(C1)c1nc2cc(ccc2nc1-c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C22H22FN3O2/c1-22(2)10-3-11-26(13-22)20-19(14-4-7-16(23)8-5-14)24-17-9-6-15(21(27)28)12-18(17)25-20/h4-9,12H,3,10-11,13H2,1-2H3,(H,27,28)
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463478
PNG
(3-(4-(N-Methylmethan-3-ylsulfonamido)piperidin-1-y...)
Show SMILES CN(C1CCN(CC1)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O)S(C)(=O)=O
Show InChI InChI=1S/C22H24N4O4S/c1-25(31(2,29)30)17-10-12-26(13-11-17)21-20(15-6-4-3-5-7-15)23-18-9-8-16(22(27)28)14-19(18)24-21/h3-9,14,17H,10-13H2,1-2H3,(H,27,28)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463508
PNG
(3-(Diethylamino)-2-phenylquinoxaline-6-carboxylic ...)
Show SMILES COC(=O)c1ccc2nc(c(Br)nc2c1)-c1ccccc1
Show InChI InChI=1S/C16H11BrN2O2/c1-21-16(20)11-7-8-12-13(9-11)19-15(17)14(18-12)10-5-3-2-4-6-10/h2-9H,1H3
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463479
PNG
(3-(3,4-Dihydroquinolin-1(2H)-yl)-2-phenylquinoxali...)
Show SMILES OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCCc2ccccc12
Show InChI InChI=1S/C24H19N3O2/c28-24(29)18-12-13-19-20(15-18)26-23(22(25-19)17-8-2-1-3-9-17)27-14-6-10-16-7-4-5-11-21(16)27/h1-5,7-9,11-13,15H,6,10,14H2,(H,28,29)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463516
PNG
(3-(2-Methylpyrrolidin-1-yl)-2-phenylquinoxaline-6-...)
Show SMILES CC1CCCN1c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C20H19N3O2/c1-13-6-5-11-23(13)19-18(14-7-3-2-4-8-14)21-16-10-9-15(20(24)25)12-17(16)22-19/h2-4,7-10,12-13H,5-6,11H2,1H3,(H,24,25)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463520
PNG
((S)-3-(2-(Hydroxymethyl)pyrrolidin-1-yl)-2-phenylq...)
Show SMILES OC[C@@H]1CCCN1c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C20H19N3O3/c24-12-15-7-4-10-23(15)19-18(13-5-2-1-3-6-13)21-16-9-8-14(20(25)26)11-17(16)22-19/h1-3,5-6,8-9,11,15,24H,4,7,10,12H2,(H,25,26)/t15-/m0/s1
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463523
PNG
((R)-3-(Methyl(1-phenylethyl)amino)-2-phenylquinoxa...)
Show SMILES C[C@@H](N(C)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C24H21N3O2/c1-16(17-9-5-3-6-10-17)27(2)23-22(18-11-7-4-8-12-18)25-20-14-13-19(24(28)29)15-21(20)26-23/h3-16H,1-2H3,(H,28,29)/t16-/m1/s1
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463525
PNG
((R)-3-(sec-Butyl(methyl)amino)-2-phenylquinoxaline...)
Show SMILES CC[C@@H](C)N(C)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C20H21N3O2/c1-4-13(2)23(3)19-18(14-8-6-5-7-9-14)21-16-11-10-15(20(24)25)12-17(16)22-19/h5-13H,4H2,1-3H3,(H,24,25)/t13-/m1/s1
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463491
PNG
(3-(Cyclopentyl(methyl)amino)-2-phenylquinoxaline-6...)
Show SMILES CN(C1CCCC1)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C21H21N3O2/c1-24(16-9-5-6-10-16)20-19(14-7-3-2-4-8-14)22-17-12-11-15(21(25)26)13-18(17)23-20/h2-4,7-8,11-13,16H,5-6,9-10H2,1H3,(H,25,26)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463486
PNG
(3-(Isopropyl(methyl)amino)-2-(4-methoxyphenyl)quin...)
Show SMILES COc1ccc(cc1)-c1nc2ccc(cc2nc1N(C)C(C)C)C(O)=O
Show InChI InChI=1S/C20H21N3O3/c1-12(2)23(3)19-18(13-5-8-15(26-4)9-6-13)21-16-10-7-14(20(24)25)11-17(16)22-19/h5-12H,1-4H3,(H,24,25)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463500
PNG
(2-(Benzo[d][1,3]dioxol-5-yl)-3-((S)-2-methylpyrrol...)
Show SMILES C[C@H]1CCCN1c1nc2cc(ccc2nc1-c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C21H19N3O4/c1-12-3-2-8-24(12)20-19(13-5-7-17-18(10-13)28-11-27-17)22-15-6-4-14(21(25)26)9-16(15)23-20/h4-7,9-10,12H,2-3,8,11H2,1H3,(H,25,26)/t12-/m0/s1
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463503
PNG
(2-(H-Imidazo[1,2-a]pyridin-6-yl)-3-(isopropyl(meth...)
Show SMILES CC(C)N(C)c1nc2cc(ccc2nc1-c1ccc2nccn2c1)C(O)=O
Show InChI InChI=1S/C20H19N5O2/c1-12(2)24(3)19-18(14-5-7-17-21-8-9-25(17)11-14)22-15-6-4-13(20(26)27)10-16(15)23-19/h4-12H,1-3H3,(H,26,27)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463543
PNG
(3-(Isopropyl(methyl)amino)-2-(pyridin-3-yl)quinoxa...)
Show SMILES CC(C)N(C)c1nc2cc(ccc2nc1-c1cccnc1)C(O)=O
Show InChI InChI=1S/C18H18N4O2/c1-11(2)22(3)17-16(13-5-4-8-19-10-13)20-14-7-6-12(18(23)24)9-15(14)21-17/h4-11H,1-3H3,(H,23,24)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463546
PNG
(3-(Isopropyl(methyl)amino)-2-(4-morpholinophenyl)q...)
Show SMILES CC(C)N(C)c1nc2cc(ccc2nc1-c1ccc(cc1)N1CCOCC1)C(O)=O
Show InChI InChI=1S/C23H26N4O3/c1-15(2)26(3)22-21(24-19-9-6-17(23(28)29)14-20(19)25-22)16-4-7-18(8-5-16)27-10-12-30-13-11-27/h4-9,14-15H,10-13H2,1-3H3,(H,28,29)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463552
PNG
(3-(Cyclopentyl(methyl)amino)-2-(4-fluorophenyl)qui...)
Show SMILES CN(C1CCCC1)c1nc2cc(ccc2nc1-c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C21H20FN3O2/c1-25(16-4-2-3-5-16)20-19(13-6-9-15(22)10-7-13)23-17-11-8-14(21(26)27)12-18(17)24-20/h6-12,16H,2-5H2,1H3,(H,26,27)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463553
PNG
(3-(Isopropyl(methyl)amino)-2-(5-methylthiophen-2-y...)
Show SMILES CC(C)N(C)c1nc2cc(ccc2nc1-c1ccc(C)s1)C(O)=O
Show InChI InChI=1S/C18H19N3O2S/c1-10(2)21(4)17-16(15-8-5-11(3)24-15)19-13-7-6-12(18(22)23)9-14(13)20-17/h5-10H,1-4H3,(H,22,23)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463460
PNG
(2-Phenyl-3-(4-(3-(trifluoromethyl)pyridin-2-yl)pip...)
Show SMILES OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCN(CC1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C25H20F3N5O2/c26-25(27,28)18-7-4-10-29-22(18)32-11-13-33(14-12-32)23-21(16-5-2-1-3-6-16)30-19-9-8-17(24(34)35)15-20(19)31-23/h1-10,15H,11-14H2,(H,34,35)
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BioEnergenix LLC

US Patent


Assay Description
Purified hPASK from insect cells (0.02 μg) is added to a 50 μL reaction mix containing 40 mM HEPES (pH 7.0), 100 mM KCl, 5 mM MgCl2, 1 mM D...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463461
PNG
(3-(4-Fluorophenyl)-2-(4-(4-(trifluoromethyl)phenyl...)
Show SMILES OC(=O)c1ccc2nc(N3CCC(CC3)c3ccc(cc3)C(F)(F)F)c(nc2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H21F4N3O2/c28-21-8-3-18(4-9-21)24-25(33-22-10-5-19(26(35)36)15-23(22)32-24)34-13-11-17(12-14-34)16-1-6-20(7-2-16)27(29,30)31/h1-10,15,17H,11-14H2,(H,35,36)
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BioEnergenix LLC

US Patent


Assay Description
Purified hPASK from insect cells (0.02 μg) is added to a 50 μL reaction mix containing 40 mM HEPES (pH 7.0), 100 mM KCl, 5 mM MgCl2, 1 mM D...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463465
PNG
(2-Phenyl-3-(4-(pyridin-2-yl)piperazin-1-yl)quinoxa...)
Show SMILES OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C24H21N5O2/c30-24(31)18-9-10-19-20(16-18)27-23(22(26-19)17-6-2-1-3-7-17)29-14-12-28(13-15-29)21-8-4-5-11-25-21/h1-11,16H,12-15H2,(H,30,31)
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463470
PNG
(2-Phenyl-3-(4-(4-(trifluoromethyl)phenyl)piperidin...)
Show SMILES OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCC(CC1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C27H22F3N3O2/c28-27(29,30)21-9-6-17(7-10-21)18-12-14-33(15-13-18)25-24(19-4-2-1-3-5-19)31-22-11-8-20(26(34)35)16-23(22)32-25/h1-11,16,18H,12-15H2,(H,34,35)
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463475
PNG
(2-Phenyl-3-(4-phenylpiperidin-1-yl)quinoxaline-6-c...)
Show SMILES OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C26H23N3O2/c30-26(31)21-11-12-22-23(17-21)28-25(24(27-22)20-9-5-2-6-10-20)29-15-13-19(14-16-29)18-7-3-1-4-8-18/h1-12,17,19H,13-16H2,(H,30,31)
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463448
PNG
(3-Morpholino-2-phenylquinoxaline-6-carboxylic acid...)
Show SMILES OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCOCC1
Show InChI InChI=1S/C19H17N3O3/c23-19(24)14-6-7-15-16(12-14)21-18(22-8-10-25-11-9-22)17(20-15)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,23,24)
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BioEnergenix LLC

US Patent


Assay Description
Purified hPASK from insect cells (0.02 μg) is added to a 50 μL reaction mix containing 40 mM HEPES (pH 7.0), 100 mM KCl, 5 mM MgCl2, 1 mM D...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463461
PNG
(3-(4-Fluorophenyl)-2-(4-(4-(trifluoromethyl)phenyl...)
Show SMILES OC(=O)c1ccc2nc(N3CCC(CC3)c3ccc(cc3)C(F)(F)F)c(nc2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H21F4N3O2/c28-21-8-3-18(4-9-21)24-25(33-22-10-5-19(26(35)36)15-23(22)32-24)34-13-11-17(12-14-34)16-1-6-20(7-2-16)27(29,30)31/h1-10,15,17H,11-14H2,(H,35,36)
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463492
PNG
((S)-2-(4-Fluorophenyl)-3-(2-methylpyrrolidin-1-yl)...)
Show SMILES C[C@H]1CCCN1c1nc2cc(ccc2nc1-c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C20H18FN3O2/c1-12-3-2-10-24(12)19-18(13-4-7-15(21)8-5-13)22-16-9-6-14(20(25)26)11-17(16)23-19/h4-9,11-12H,2-3,10H2,1H3,(H,25,26)/t12-/m0/s1
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BioEnergenix LLC

US Patent


Assay Description
Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463505
PNG
(3-(4-(Methylsulfonyl)piperazin-1-yl)-2-phenylquino...)
Show SMILES CS(=O)(=O)N1CCN(CC1)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C20H20N4O4S/c1-29(27,28)24-11-9-23(10-12-24)19-18(14-5-3-2-4-6-14)21-16-8-7-15(20(25)26)13-17(16)22-19/h2-8,13H,9-12H2,1H3,(H,25,26)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463507
PNG
(3-(4-(Methyl(phenyl)amino)piperidin-1-yl)-2-phenyl...)
Show SMILES COC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCC(CC1)Nc1ccccc1
Show InChI InChI=1S/C27H26N4O2/c1-33-27(32)20-12-13-23-24(18-20)30-26(25(29-23)19-8-4-2-5-9-19)31-16-14-22(15-17-31)28-21-10-6-3-7-11-21/h2-13,18,22,28H,14-17H2,1H3
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463509
PNG
(3-(4-Acetamidopiperidin-1-yl)-2-phenylquinoxaline-...)
Show SMILES CC(=O)NC1CCN(CC1)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C22H22N4O3/c1-14(27)23-17-9-11-26(12-10-17)21-20(15-5-3-2-4-6-15)24-18-8-7-16(22(28)29)13-19(18)25-21/h2-8,13,17H,9-12H2,1H3,(H,23,27)(H,28,29)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463514
PNG
(3-(Cyclohexylamino)-2-phenylquinoxaline-6-carboxyl...)
Show SMILES OC(=O)c1ccc2nc(c(NC3CCCCC3)nc2c1)-c1ccccc1
Show InChI InChI=1S/C21H21N3O2/c25-21(26)15-11-12-17-18(13-15)24-20(22-16-9-5-2-6-10-16)19(23-17)14-7-3-1-4-8-14/h1,3-4,7-8,11-13,16H,2,5-6,9-10H2,(H,22,24)(H,25,26)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463483
PNG
((R)-3-(2-(Hydroxymethyl)pyrrolidin-1-yl)-2-phenylq...)
Show SMILES OC[C@H]1CCCN1c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C20H19N3O3/c24-12-15-7-4-10-23(15)19-18(13-5-2-1-3-6-13)21-16-9-8-14(20(25)26)11-17(16)22-19/h1-3,5-6,8-9,11,15,24H,4,7,10,12H2,(H,25,26)/t15-/m1/s1
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463526
PNG
(3-(Indolin-1-yl)-2-phenylquinoxaline-6-carboxylic ...)
Show SMILES OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCc2ccccc12
Show InChI InChI=1S/C23H17N3O2/c27-23(28)17-10-11-18-19(14-17)25-22(21(24-18)16-7-2-1-3-8-16)26-13-12-15-6-4-5-9-20(15)26/h1-11,14H,12-13H2,(H,27,28)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463528
PNG
(3-(1H-Indol-1-yl)-2-phenylquinoxaline-6-carboxylic...)
Show SMILES OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)-n1ccc2ccccc12
Show InChI InChI=1S/C23H15N3O2/c27-23(28)17-10-11-18-19(14-17)25-22(21(24-18)16-7-2-1-3-8-16)26-13-12-15-6-4-5-9-20(15)26/h1-14H,(H,27,28)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463494
PNG
(3-(Azepan-1-yl)-2-(4-fluorophenyl)quinoxaline-6-ca...)
Show SMILES OC(=O)c1ccc2nc(-c3ccc(F)cc3)c(nc2c1)N1CCCCCC1
Show InChI InChI=1S/C21H20FN3O2/c22-16-8-5-14(6-9-16)19-20(25-11-3-1-2-4-12-25)24-18-13-15(21(26)27)7-10-17(18)23-19/h5-10,13H,1-4,11-12H2,(H,26,27)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463533
PNG
(3-(Isopropyl(methyl)amino)-2-(4-(methylsulfonyl)ph...)
Show SMILES CC(C)N(C)c1nc2cc(ccc2nc1-c1ccc(cc1)S(C)(=O)=O)C(O)=O
Show InChI InChI=1S/C20H21N3O4S/c1-12(2)23(3)19-18(13-5-8-15(9-6-13)28(4,26)27)21-16-10-7-14(20(24)25)11-17(16)22-19/h5-12H,1-4H3,(H,24,25)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463535
PNG
(2-(4-Cyanophenyl)-3-(isopropyl(methyl)amino)quinox...)
Show SMILES CC(C)N(C)c1nc2cc(ccc2nc1-c1ccc(cc1)C#N)C(O)=O
Show InChI InChI=1S/C20H18N4O2/c1-12(2)24(3)19-18(14-6-4-13(11-21)5-7-14)22-16-9-8-15(20(25)26)10-17(16)23-19/h4-10,12H,1-3H3,(H,25,26)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463504
PNG
(2-(Benzofuran-2-yl)-3-(isopropyl(methyl)amino)quin...)
Show SMILES CC(C)N(C)c1nc2cc(ccc2nc1-c1cc2ccccc2o1)C(O)=O
Show InChI InChI=1S/C21H19N3O3/c1-12(2)24(3)20-19(18-11-13-6-4-5-7-17(13)27-18)22-15-9-8-14(21(25)26)10-16(15)23-20/h4-12H,1-3H3,(H,25,26)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463536
PNG
((S)-2-(4-Fluorophenyl)-3-(2-methyl-4-(pyridin-2-yl...)
Show SMILES C[C@H]1CN(CCN1c1nc2cc(ccc2nc1-c1ccc(F)cc1)C(O)=O)c1ccccn1
Show InChI InChI=1S/C25H22FN5O2/c1-16-15-30(22-4-2-3-11-27-22)12-13-31(16)24-23(17-5-8-19(26)9-6-17)28-20-10-7-18(25(32)33)14-21(20)29-24/h2-11,14,16H,12-13,15H2,1H3,(H,32,33)/t16-/m0/s1
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463538
PNG
(3-(Cyclopropyl(methyl)amino)-2-(4-fluorophenyl)qui...)
Show SMILES CN(C1CC1)c1nc2cc(ccc2nc1-c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C19H16FN3O2/c1-23(14-7-8-14)18-17(11-2-5-13(20)6-3-11)21-15-9-4-12(19(24)25)10-16(15)22-18/h2-6,9-10,14H,7-8H2,1H3,(H,24,25)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM463555
PNG
(2-(4-Fluorophenyl)-3-(4-(N-methylacetamido)piperid...)
Show SMILES CN(C1CCN(CC1)c1nc2cc(ccc2nc1-c1ccc(F)cc1)C(O)=O)C(C)=O
Show InChI InChI=1S/C23H23FN4O3/c1-14(29)27(2)18-9-11-28(12-10-18)22-21(15-3-6-17(24)7-4-15)25-19-8-5-16(23(30)31)13-20(19)26-22/h3-8,13,18H,9-12H2,1-2H3,(H,30,31)
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BioEnergenix LLC

US Patent


Assay Description
Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...


US Patent US10781185 (2020)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%