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Patent code US9765092

Compile Data Set for Download or QSAR

Found 444 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341597
PNG
(N-(6-chloro-5-(2-(5-(4-chloro-2-fluorophenyl)-7,8-...)
Show SMILES CS(=O)(=O)Nc1ccc(OCC(=O)N2CCc3nc4scnn4c3C2c2ccc(Cl)cc2F)c(Cl)n1
Show InChI InChI=1S/C21H17Cl2FN6O4S2/c1-36(32,33)28-16-5-4-15(20(23)27-16)34-9-17(31)29-7-6-14-19(30-21(26-14)35-10-25-30)18(29)12-3-2-11(22)8-13(12)24/h2-5,8,10,18H,6-7,9H2,1H3,(H,27,28)
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ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341599
PNG
(1-(5-(4-chloro-2-fluorophenyl)-7,8-dihydro-[1,3,4]...)
Show SMILES Fc1cc(Cl)ccc1C1N(CCc2nc3scnn3c12)C(=O)COc1ccc(nc1Cl)-c1ncco1
Show InChI InChI=1S/C23H15Cl2FN6O3S/c24-12-1-2-13(14(26)9-12)19-20-15(30-23-32(20)28-11-36-23)5-7-31(19)18(33)10-35-17-4-3-16(29-21(17)25)22-27-6-8-34-22/h1-4,6,8-9,11,19H,5,7,10H2
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ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341608
PNG
(N-(6-chloro-5-(2-(5-(4-chloro-2-fluorophenyl)-2-(t...)
Show SMILES CS(=O)(=O)Nc1ccc(OCC(=O)N2CCc3nc4sc(nn4c3C2c2ccc(Cl)cc2F)C(F)(F)F)c(Cl)n1
Show InChI InChI=1S/C22H16Cl2F4N6O4S2/c1-40(36,37)32-15-5-4-14(19(24)30-15)38-9-16(35)33-7-6-13-18(17(33)11-3-2-10(23)8-12(11)25)34-21(29-13)39-20(31-34)22(26,27)28/h2-5,8,17H,6-7,9H2,1H3,(H,30,32)
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ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341612
PNG
(2-((6-(1,1-dioxidoisothiazolidin-2-yl)-2-ethylpyri...)
Show SMILES CCc1nc(ccc1OCC(=O)N1CCc2nc3sc(nn3c2C1c1ncc(C)cc1F)C(F)(F)F)N1CCCS1(=O)=O
Show InChI InChI=1S/C26H25F4N7O4S2/c1-3-16-18(5-6-19(32-16)36-8-4-10-43(36,39)40)41-13-20(38)35-9-7-17-22(23(35)21-15(27)11-14(2)12-31-21)37-25(33-17)42-24(34-37)26(28,29)30/h5-6,11-12,23H,3-4,7-10,13H2,1-2H3
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ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341625
PNG
(2-((5-chloro-1-methyl-4-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cn1nc(OCC(=O)N2CCc3nc4sccn4c3C2c2cccnc2F)c(c1Cl)C(F)(F)F
Show InChI InChI=1S/C20H15ClF4N6O2S/c1-29-16(21)13(20(23,24)25)18(28-29)33-9-12(32)30-6-4-11-15(31-7-8-34-19(31)27-11)14(30)10-3-2-5-26-17(10)22/h2-3,5,7-8,14H,4,6,9H2,1H3
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ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341634
PNG
(1-(5-(4-chloro-2-fluorophenyl)-7,8-dihydrothiazolo...)
Show SMILES Fc1cc(Cl)ccc1C1N(CCc2nc3sccn3c12)C(=O)COc1cccnc1Cl
Show InChI InChI=1S/C21H15Cl2FN4O2S/c22-12-3-4-13(14(24)10-12)18-19-15(26-21-28(19)8-9-31-21)5-7-27(18)17(29)11-30-16-2-1-6-25-20(16)23/h1-4,6,8-10,18H,5,7,11H2
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ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341635
PNG
(1-(5-(4-chloro-2-fluorophenyl)-7,8-dihydrothiazolo...)
Show SMILES Fc1cc(Cl)ccc1C1N(CCc2nc3sccn3c12)C(=O)COc1ccc(CN2CCOCC2)nc1Cl
Show InChI InChI=1S/C26H24Cl2FN5O3S/c27-16-1-3-18(19(29)13-16)23-24-20(31-26-34(24)9-12-38-26)5-6-33(23)22(35)15-37-21-4-2-17(30-25(21)28)14-32-7-10-36-11-8-32/h1-4,9,12-13,23H,5-8,10-11,14-15H2
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ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341655
PNG
(2-((2-ethylpyridin-3-yl)oxy)-1-(5-(2-fluoro-4-meth...)
Show SMILES CCc1ncccc1OCC(=O)N1CCc2nc3sccn3c2C1c1ccc(C)cc1F
Show InChI InChI=1S/C24H23FN4O2S/c1-3-18-20(5-4-9-26-18)31-14-21(30)28-10-8-19-23(29-11-12-32-24(29)27-19)22(28)16-7-6-15(2)13-17(16)25/h4-7,9,11-13,22H,3,8,10,14H2,1-2H3
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ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341668
PNG
(2-(2-chloro-3-(trifluoromethyl)phenoxy)-1-(5-(1-ph...)
Show SMILES FC(F)(F)c1cccc(OCC(=O)N2CCc3nc4sccn4c3C2c2cnn(c2)-c2ccccc2)c1Cl
Show InChI InChI=1S/C26H19ClF3N5O2S/c27-22-18(26(28,29)30)7-4-8-20(22)37-15-21(36)33-10-9-19-24(34-11-12-38-25(34)32-19)23(33)16-13-31-35(14-16)17-5-2-1-3-6-17/h1-8,11-14,23H,9-10,15H2
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ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341674
PNG
(2-(4-chloro-2-methylphenoxy)-1-(5-(1-phenyl-1H-pyr...)
Show SMILES Cc1cc(Cl)ccc1OCC(=O)N1CCc2nc3sccn3c2C1c1cnn(c1)-c1ccccc1
Show InChI InChI=1S/C26H22ClN5O2S/c1-17-13-19(27)7-8-22(17)34-16-23(33)30-10-9-21-25(31-11-12-35-26(31)29-21)24(30)18-14-28-32(15-18)20-5-3-2-4-6-20/h2-8,11-15,24H,9-10,16H2,1H3
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ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341693
PNG
(2-((6-(1,1-dioxidoisothiazolidin-2-yl)-2-ethylpyri...)
Show SMILES CCc1nc(ccc1OCC(=O)N1CCc2nc3sc(CF)nn3c2C1c1ncc(C)cc1F)N1CCCS1(=O)=O
Show InChI InChI=1S/C26H27F2N7O4S2/c1-3-17-19(5-6-20(30-17)34-8-4-10-41(34,37)38)39-14-22(36)33-9-7-18-24(35-26(31-18)40-21(12-27)32-35)25(33)23-16(28)11-15(2)13-29-23/h5-6,11,13,25H,3-4,7-10,12,14H2,1-2H3
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ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341694
PNG
(N-(6-ethyl-5-(2-(5-(3-fluoro-5-methylpyridin-2-yl)...)
Show SMILES CCc1nc(NS(C)(=O)=O)ccc1OCC(=O)N1CCc2nc3sc(CF)nn3c2C1c1ncc(C)cc1F
Show InChI InChI=1S/C24H25F2N7O4S2/c1-4-15-17(5-6-18(28-15)31-39(3,35)36)37-12-20(34)32-8-7-16-22(33-24(29-16)38-19(10-25)30-33)23(32)21-14(26)9-13(2)11-27-21/h5-6,9,11,23H,4,7-8,10,12H2,1-3H3,(H,28,31)
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ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341697
PNG
(N-cyclopropyl-5-(2-(5-(2,4-dimethylthiazol-5-yl)-2...)
Show SMILES CCc1nc(ccc1OCC(=O)N1CCc2nc3sc(CF)nn3c2C1c1sc(C)nc1C)C(=O)NC1CC1
Show InChI InChI=1S/C26H28FN7O3S2/c1-4-16-19(8-7-18(30-16)25(36)29-15-5-6-15)37-12-21(35)33-10-9-17-22(23(33)24-13(2)28-14(3)38-24)34-26(31-17)39-20(11-27)32-34/h7-8,15,23H,4-6,9-12H2,1-3H3,(H,29,36)
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ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341700
PNG
(N-(6-chloro-5-(2-(5-(4-chloro-2-fluorophenyl)-2-(d...)
Show SMILES CS(=O)(=O)Nc1ccc(OCC(=O)N2CCc3nc4sc(nn4c3C2c2ccc(Cl)cc2F)C(F)F)c(Cl)n1
Show InChI InChI=1S/C22H17Cl2F3N6O4S2/c1-39(35,36)31-15-5-4-14(19(24)29-15)37-9-16(34)32-7-6-13-18(17(32)11-3-2-10(23)8-12(11)25)33-22(28-13)38-21(30-33)20(26)27/h2-5,8,17,20H,6-7,9H2,1H3,(H,29,31)
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ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341325
PNG
(1-(5-(3,4-dimethoxyphenyl)-2-methyl-7,8-dihydro-[1...)
Show SMILES COc1ccc(cc1OC)C1N(CCc2nc3sc(C)nn3c12)C(=O)COc1ccc2ccccc2c1
Show InChI InChI=1S/C28H26N4O4S/c1-17-30-32-27-22(29-28(32)37-17)12-13-31(26(27)20-9-11-23(34-2)24(15-20)35-3)25(33)16-36-21-10-8-18-6-4-5-7-19(18)14-21/h4-11,14-15,26H,12-13,16H2,1-3H3
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ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341336
PNG
(1-(5-(4-chloro-2-fluorophenyl)-2-methyl-7,8-dihydr...)
Show SMILES CCc1nc(ccc1OCC(=O)N1CCc2nc3sc(C)nn3c2C1c1ccc(Cl)cc1F)C(F)F
Show InChI InChI=1S/C24H21ClF3N5O2S/c1-3-16-19(7-6-18(29-16)23(27)28)35-11-20(34)32-9-8-17-22(33-24(30-17)36-12(2)31-33)21(32)14-5-4-13(25)10-15(14)26/h4-7,10,21,23H,3,8-9,11H2,1-2H3
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ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341337
PNG
(1-(5-(4-chloro-2-fluorophenyl)-2-methyl-7,8-dihydr...)
Show SMILES CN(C)c1ccc(OCC(=O)N2CCc3nc4sc(C)nn4c3C2c2ccc(Cl)cc2F)c(Cl)n1
Show InChI InChI=1S/C23H21Cl2FN6O2S/c1-12-29-32-21-16(27-23(32)35-12)8-9-31(20(21)14-5-4-13(24)10-15(14)26)19(33)11-34-17-6-7-18(30(2)3)28-22(17)25/h4-7,10,20H,8-9,11H2,1-3H3
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ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341345
PNG
(2-((4-chloro-2-(trifluoromethyl)pyrimidin-5-yl)oxy...)
Show SMILES Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1cnc(nc1Cl)C(F)(F)F)c1ccc(Cl)cc1F
Show InChI InChI=1S/C21H14Cl2F4N6O2S/c1-9-31-33-17-13(29-20(33)36-9)4-5-32(16(17)11-3-2-10(22)6-12(11)24)15(34)8-35-14-7-28-19(21(25,26)27)30-18(14)23/h2-3,6-7,16H,4-5,8H2,1H3
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ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341348
PNG
(2-((4-chloro-2-(dimethylamino)pyrimidin-5-yl)oxy)-...)
Show SMILES CN(C)c1ncc(OCC(=O)N2CCc3nc4sc(C)nn4c3C2c2ccc(Cl)cc2F)c(Cl)n1
Show InChI InChI=1S/C22H20Cl2FN7O2S/c1-11-29-32-19-15(27-22(32)35-11)6-7-31(18(19)13-5-4-12(23)8-14(13)25)17(33)10-34-16-9-26-21(30(2)3)28-20(16)24/h4-5,8-9,18H,6-7,10H2,1-3H3
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ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341702
PNG
(1-(5-(4-chloro-2-fluorophenyl)-2-(difluoromethyl)-...)
Show SMILES CCc1nc(ccc1OCC(=O)N1CCc2nc3sc(nn3c2C1c1ccc(Cl)cc1F)C(F)F)N1CCCS1(=O)=O
Show InChI InChI=1S/C26H24ClF3N6O4S2/c1-2-17-19(6-7-20(31-17)35-9-3-11-42(35,38)39)40-13-21(37)34-10-8-18-23(22(34)15-5-4-14(27)12-16(15)28)36-26(32-18)41-25(33-36)24(29)30/h4-7,12,22,24H,2-3,8-11,13H2,1H3
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ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341715
PNG
(1-(5-(4-Chloro-2-fluorophenyl)-2-methyl-7,8-dihydr...)
Show SMILES C[C@H]1C[C@H](C)CN(C1)c1ccc(OCC(=O)N2CCc3nc4sc(C)nn4c3C2c2ccc(Cl)cc2F)c(Cl)n1
Show InChI InChI=1S/C28H29Cl2FN6O2S/c1-15-10-16(2)13-35(12-15)23-7-6-22(27(30)33-23)39-14-24(38)36-9-8-21-26(37-28(32-21)40-17(3)34-37)25(36)19-5-4-18(29)11-20(19)31/h4-7,11,15-16,25H,8-10,12-14H2,1-3H3/t15-,16-,25?/m0/s1
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ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341716
PNG
(2-((6-amino-2-chloropyridin-3-yl)oxy)-1-(5-(4-chlo...)
Show SMILES Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1ccc(N)nc1Cl)c1ccc(Cl)cc1F
Show InChI InChI=1S/C21H17Cl2FN6O2S/c1-10-28-30-19-14(26-21(30)33-10)6-7-29(18(19)12-3-2-11(22)8-13(12)24)17(31)9-32-15-4-5-16(25)27-20(15)23/h2-5,8,18H,6-7,9H2,1H3,(H2,25,27)
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ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341738
PNG
(2-((2-Chloro-6-(trifluoromethyl)pyridin-3-yl)oxy)-...)
Show SMILES CN(C)c1ncc(s1)C1N(CCc2nc3sc(C)nn3c12)C(=O)COc1ccc(nc1Cl)C(F)(F)F
Show InChI InChI=1S/C21H19ClF3N7O2S2/c1-10-29-32-16-11(27-20(32)35-10)6-7-31(17(16)13-8-26-19(36-13)30(2)3)15(33)9-34-12-4-5-14(21(23,24)25)28-18(12)22/h4-5,8,17H,6-7,9H2,1-3H3
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ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341364
PNG
(6-chloro-5-(1-(5-(4-chloro-2-fluorophenyl)-2-methy...)
Show SMILES CN(C)C(=O)c1ccc(OC2(CC2)C(=O)N2CCc3nc4sc(C)nn4c3C2c2ccc(Cl)cc2F)c(Cl)n1
Show InChI InChI=1S/C26H23Cl2FN6O3S/c1-13-32-35-21-17(31-25(35)39-13)8-11-34(20(21)15-5-4-14(27)12-16(15)29)24(37)26(9-10-26)38-19-7-6-18(30-22(19)28)23(36)33(2)3/h4-7,12,20H,8-11H2,1-3H3
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ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341370
PNG
(1-(5-(4-chloro-2-fluorophenyl)-2-methyl-7,8-dihydr...)
Show SMILES COc1ccc2c(OCC(=O)N3CCc4nc5sc(C)nn5c4C3c3ccc(Cl)cc3F)cc(C)nc2c1
Show InChI InChI=1S/C27H23ClFN5O3S/c1-14-10-23(19-7-5-17(36-3)12-22(19)30-14)37-13-24(35)33-9-8-21-26(34-27(31-21)38-15(2)32-34)25(33)18-6-4-16(28)11-20(18)29/h4-7,10-12,25H,8-9,13H2,1-3H3
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ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341380
PNG
(1-(5-(4-cyclopropyl-2-fluorophenyl)-2-methyl-7,8-d...)
Show SMILES Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1cccnc1C)c1ccc(cc1F)C1CC1
Show InChI InChI=1S/C25H24FN5O2S/c1-14-21(4-3-10-27-14)33-13-22(32)30-11-9-20-24(31-25(28-20)34-15(2)29-31)23(30)18-8-7-17(12-19(18)26)16-5-6-16/h3-4,7-8,10,12,16,23H,5-6,9,11,13H2,1-2H3
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ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341382
PNG
(1-(5-(4-cyclopropyl-2-fluorophenyl)-2-methyl-7,8-d...)
Show SMILES CCc1nc(C)ccc1OCC(=O)N1CCc2nc3sc(C)nn3c2C1c1ccc(cc1F)C1CC1
Show InChI InChI=1S/C27H28FN5O2S/c1-4-21-23(10-5-15(2)29-21)35-14-24(34)32-12-11-22-26(33-27(30-22)36-16(3)31-33)25(32)19-9-8-18(13-20(19)28)17-6-7-17/h5,8-10,13,17,25H,4,6-7,11-12,14H2,1-3H3
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ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341383
PNG
(1-(5-(4-cyclopropyl-2-fluorophenyl)-2-methyl-7,8-d...)
Show SMILES CCc1ncccc1OCC(=O)N1CCc2nc3sc(C)nn3c2C1c1ccc(cc1F)C1CC1
Show InChI InChI=1S/C26H26FN5O2S/c1-3-20-22(5-4-11-28-20)34-14-23(33)31-12-10-21-25(32-26(29-21)35-15(2)30-32)24(31)18-9-8-17(13-19(18)27)16-6-7-16/h4-5,8-9,11,13,16,24H,3,6-7,10,12,14H2,1-2H3
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ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341399
PNG
(6-chloro-5-(2-(5-(4-cyclopropyl-2-fluorophenyl)-2-...)
Show SMILES CN(C)C(=O)c1ccc(OCC(=O)N2CCc3nc4sc(C)nn4c3C2c2ccc(cc2F)C2CC2)c(Cl)n1
Show InChI InChI=1S/C27H26ClFN6O3S/c1-14-32-35-24-19(31-27(35)39-14)10-11-34(23(24)17-7-6-16(12-18(17)29)15-4-5-15)22(36)13-38-21-9-8-20(30-25(21)28)26(37)33(2)3/h6-9,12,15,23H,4-5,10-11,13H2,1-3H3
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ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341404
PNG
(2-((2-ethylpyridin-3-yl)oxy)-1-(2-methyl-5-(2-morp...)
Show SMILES CCc1ncccc1OCC(=O)N1CCc2nc3sc(C)nn3c2C1c1cnc(s1)N1CCOCC1
Show InChI InChI=1S/C24H27N7O3S2/c1-3-16-18(5-4-7-25-16)34-14-20(32)30-8-6-17-21(31-24(27-17)35-15(2)28-31)22(30)19-13-26-23(36-19)29-9-11-33-12-10-29/h4-5,7,13,22H,3,6,8-12,14H2,1-2H3
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ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341406
PNG
(2-((2-chloropyridin-3-yl)oxy)-1-(2-methyl-5-(2-mor...)
Show SMILES Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1cccnc1Cl)c1cnc(s1)N1CCOCC1
Show InChI InChI=1S/C22H22ClN7O3S2/c1-13-27-30-18-14(26-22(30)34-13)4-6-29(17(31)12-33-15-3-2-5-24-20(15)23)19(18)16-11-25-21(35-16)28-7-9-32-10-8-28/h2-3,5,11,19H,4,6-10,12H2,1H3
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ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341408
PNG
(2-((2-chloro-6-morpholinopyridin-3-yl)oxy)-1-(5-(4...)
Show SMILES CN(C)Cc1csc(c1)C1N(CCc2nc3sc(C)nn3c12)C(=O)COc1ccc(nc1Cl)N1CCOCC1
Show InChI InChI=1S/C26H30ClN7O3S2/c1-16-30-34-23-18(28-26(34)39-16)6-7-33(24(23)20-12-17(15-38-20)13-31(2)3)22(35)14-37-19-4-5-21(29-25(19)27)32-8-10-36-11-9-32/h4-5,12,15,24H,6-11,13-14H2,1-3H3
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ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341412
PNG
(2-((2-chloro-6-(methyl(2,2,2-trifluoroethyl)amino)...)
Show SMILES CN(C)Cc1csc(c1)C1N(CCc2nc3sc(C)nn3c12)C(=O)COc1ccc(nc1Cl)N(C)CC(F)(F)F
Show InChI InChI=1S/C25H27ClF3N7O2S2/c1-14-32-36-21-16(30-24(36)40-14)7-8-35(22(21)18-9-15(12-39-18)10-33(2)3)20(37)11-38-17-5-6-19(31-23(17)26)34(4)13-25(27,28)29/h5-6,9,12,22H,7-8,10-11,13H2,1-4H3
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ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341761
PNG
(2-((2-Chloro-6-morpholinopyridin-3-yl)oxy)-1-(5-(2...)
Show SMILES Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1ccc(nc1Cl)N1CCOCC1)c1cnc(s1)N1CC(F)(F)C1
Show InChI InChI=1S/C25H25ClF2N8O3S2/c1-14-32-36-20-15(30-24(36)40-14)4-5-35(21(20)17-10-29-23(41-17)34-12-25(27,28)13-34)19(37)11-39-16-2-3-18(31-22(16)26)33-6-8-38-9-7-33/h2-3,10,21H,4-9,11-13H2,1H3
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ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341763
PNG
(1-(5-(2-Amino-5-fluorothiazol-4-yl)-2-methyl-7,8-d...)
Show SMILES Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1ccc(nc1Cl)N1CCOCC1)c1nc(N)sc1F
Show InChI InChI=1S/C22H22ClFN8O3S2/c1-11-29-32-17-12(26-22(32)36-11)4-5-31(18(17)16-20(24)37-21(25)28-16)15(33)10-35-13-2-3-14(27-19(13)23)30-6-8-34-9-7-30/h2-3,18H,4-10H2,1H3,(H2,25,28)
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ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341426
PNG
(6-chloro-5-(2-(5-(5-cyclopropyl-3-fluoropyridin-2-...)
Show SMILES Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1ccc(nc1Cl)C#N)c1ncc(cc1F)C1CC1
Show InChI InChI=1S/C24H19ClFN7O2S/c1-12-31-33-21-17(30-24(33)36-12)6-7-32(19(34)11-35-18-5-4-15(9-27)29-23(18)25)22(21)20-16(26)8-14(10-28-20)13-2-3-13/h4-5,8,10,13,22H,2-3,6-7,11H2,1H3
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ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341451
PNG
(2-((2-chloro-6-morpholinopyridin-3-yl)oxy)-1-(5-(3...)
Show SMILES Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1ccc(nc1Cl)N1CCOCC1)c1sccc1F
Show InChI InChI=1S/C23H22ClFN6O3S2/c1-13-28-31-19-15(26-23(31)36-13)4-6-30(20(19)21-14(25)5-11-35-21)18(32)12-34-16-2-3-17(27-22(16)24)29-7-9-33-10-8-29/h2-3,5,11,20H,4,6-10,12H2,1H3
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ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341492
PNG
(Methyl 2-(6-(2-((2-chloro-6-(cyclopropanesulfonami...)
Show SMILES COC(=O)c1cnc(s1)C1N(CCc2nc3sc(C)nn3c12)C(=O)COc1ccc(NS(=O)(=O)C2CC2)nc1Cl
Show InChI InChI=1S/C23H22ClN7O6S3/c1-11-28-31-18-13(26-23(31)38-11)7-8-30(19(18)21-25-9-15(39-21)22(33)36-2)17(32)10-37-14-5-6-16(27-20(14)24)29-40(34,35)12-3-4-12/h5-6,9,12,19H,3-4,7-8,10H2,1-2H3,(H,27,29)
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ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341500
PNG
(6-chloro-5-(2-(5-(3-fluoro-5-methylpyridin-2-yl)-2...)
Show SMILES Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1ccc(nc1Cl)C#N)c1ncc(C)cc1F
Show InChI InChI=1S/C22H17ClFN7O2S/c1-11-7-14(24)18(26-9-11)20-19-15(28-22-31(19)29-12(2)34-22)5-6-30(20)17(32)10-33-16-4-3-13(8-25)27-21(16)23/h3-4,7,9,20H,5-6,10H2,1-2H3
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n/an/a 36n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341508
PNG
((R)-2-((2-chloro-6-(3-methoxy-3-methylazetidin-1-y...)
Show SMILES COC1(C)CN(C1)c1ccc(OCC(=O)N2CCc3nc4sc(C)nn4c3[C@@H]2c2ncc(C)cc2F)c(Cl)n1
Show InChI InChI=1S/C26H27ClFN7O3S/c1-14-9-16(28)21(29-10-14)23-22-17(30-25-35(22)32-15(2)39-25)7-8-34(23)20(36)11-38-18-5-6-19(31-24(18)27)33-12-26(3,13-33)37-4/h5-6,9-10,23H,7-8,11-13H2,1-4H3/t23-/m0/s1
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ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341516
PNG
((R)-N-(4-ethyl-5-(2-(5-(3-fluoro-5-methylpyridin-2...)
Show SMILES CCc1nc(NS(C)(=O)=O)ncc1OCC(=O)N1CCc2nc3sc(C)nn3c2[C@@H]1c1ncc(C)cc1F
Show InChI InChI=1S/C23H25FN8O4S2/c1-5-15-17(10-26-22(27-15)30-38(4,34)35)36-11-18(33)31-7-6-16-20(32-23(28-16)37-13(3)29-32)21(31)19-14(24)8-12(2)9-25-19/h8-10,21H,5-7,11H2,1-4H3,(H,26,27,30)/t21-/m0/s1
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ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341523
PNG
(1-(5-(5-chloro-3-fluoropyridin-2-yl)-2-methyl-7,8-...)
Show SMILES Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1ccc(nc1Cl)N1CCOCC1)c1ncc(Cl)cc1F
Show InChI InChI=1S/C24H22Cl2FN7O3S/c1-13-31-34-21-16(29-24(34)38-13)4-5-33(22(21)20-15(27)10-14(25)11-28-20)19(35)12-37-17-2-3-18(30-23(17)26)32-6-8-36-9-7-32/h2-3,10-11,22H,4-9,12H2,1H3
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ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341534
PNG
(6-chloro-5-(2-(5-(3-fluoropyridin-2-yl)-2-methyl-7...)
Show SMILES CN(C)C(=O)c1ccc(OCC(=O)N2CCc3nc4sc(C)nn4c3C2c2ncccc2F)c(Cl)n1
Show InChI InChI=1S/C23H21ClFN7O3S/c1-12-29-32-19-14(28-23(32)36-12)8-10-31(20(19)18-13(25)5-4-9-26-18)17(33)11-35-16-7-6-15(27-21(16)24)22(34)30(2)3/h4-7,9,20H,8,10-11H2,1-3H3
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ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341541
PNG
(5-(6-(2-((2-chloro-6-morpholinopyridin-3-yl)oxy)ac...)
Show SMILES CNC(=O)c1ccc(o1)C1N(CCc2nc3sc(C)nn3c12)C(=O)COc1ccc(nc1Cl)N1CCOCC1
Show InChI InChI=1S/C25H26ClN7O5S/c1-14-30-33-21-15(28-25(33)39-14)7-8-32(22(21)16-3-4-18(38-16)24(35)27-2)20(34)13-37-17-5-6-19(29-23(17)26)31-9-11-36-12-10-31/h3-6,22H,7-13H2,1-2H3,(H,27,35)
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ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341547
PNG
((S)-N-(6-chloro-5-(2-(5-(2-fluoro-4-methylphenyl)-...)
Show SMILES Cc1nn2c3[C@@H](N(CCc3nc2s1)C(=O)COc1ccc(NS(C)(=O)=O)nc1Cl)c1ccc(C)cc1F
Show InChI InChI=1S/C23H22ClFN6O4S2/c1-12-4-5-14(15(25)10-12)20-21-16(26-23-31(21)28-13(2)36-23)8-9-30(20)19(32)11-35-17-6-7-18(27-22(17)24)29-37(3,33)34/h4-7,10,20H,8-9,11H2,1-3H3,(H,27,29)/t20-/m0/s1
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ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341548
PNG
(6-chloro-5-(2-(5-(4-(difluoromethoxy)-2-fluorophen...)
Show SMILES CN(C)C(=O)c1ccc(OCC(=O)N2CCc3nc4sc(C)nn4c3C2c2ccc(OC(F)F)cc2F)c(Cl)n1
Show InChI InChI=1S/C25H22ClF3N6O4S/c1-12-32-35-21-16(31-25(35)40-12)8-9-34(20(21)14-5-4-13(10-15(14)27)39-24(28)29)19(36)11-38-18-7-6-17(30-22(18)26)23(37)33(2)3/h4-7,10,20,24H,8-9,11H2,1-3H3
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ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341550
PNG
(6-chloro-5-(2-(5-(2-fluoro-4-(trifluoromethyl)phen...)
Show SMILES CN(C)C(=O)c1ccc(OCC(=O)N2CCc3nc4sc(C)nn4c3C2c2ccc(cc2F)C(F)(F)F)c(Cl)n1
Show InChI InChI=1S/C25H21ClF4N6O3S/c1-12-33-36-21-16(32-24(36)40-12)8-9-35(20(21)14-5-4-13(10-15(14)27)25(28,29)30)19(37)11-39-18-7-6-17(31-22(18)26)23(38)34(2)3/h4-7,10,20H,8-9,11H2,1-3H3
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ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341555
PNG
(6-chloro-5-(2-(5-(2,3-difluoro-4-methylphenyl)-2-m...)
Show SMILES CN(C)C(=O)c1ccc(OCC(=O)N2CCc3nc4sc(C)nn4c3C2c2ccc(C)c(F)c2F)c(Cl)n1
Show InChI InChI=1S/C25H23ClF2N6O3S/c1-12-5-6-14(20(28)19(12)27)21-22-15(30-25-34(22)31-13(2)38-25)9-10-33(21)18(35)11-37-17-8-7-16(29-23(17)26)24(36)32(3)4/h5-8,21H,9-11H2,1-4H3
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ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341563
PNG
(2-((2-chloro-6-morpholinopyridin-3-yl)oxy)-1-(5-(2...)
Show SMILES Cc1nc(C)c(o1)C1N(CCc2nc3sc(C)nn3c12)C(=O)COc1ccc(nc1Cl)N1CCOCC1
Show InChI InChI=1S/C24H26ClN7O4S/c1-13-22(36-14(2)26-13)21-20-16(27-24-32(20)29-15(3)37-24)6-7-31(21)19(33)12-35-17-4-5-18(28-23(17)25)30-8-10-34-11-9-30/h4-5,21H,6-12H2,1-3H3
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ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341564
PNG
(2-((2-chloro-6-morpholinopyridin-3-yl)oxy)-1-(5-(2...)
Show SMILES Cc1nc(C2N(CCc3nc4sc(C)nn4c23)C(=O)COc2ccc(nc2Cl)N2CCOCC2)c(C)o1
Show InChI InChI=1S/C24H26ClN7O4S/c1-13-20(26-14(2)36-13)22-21-16(27-24-32(21)29-15(3)37-24)6-7-31(22)19(33)12-35-17-4-5-18(28-23(17)25)30-8-10-34-11-9-30/h4-5,22H,6-12H2,1-3H3
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ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%