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Compile Data Set for Download or QSAR

Found 444 hits Enz. Inhib. hit(s) with all data for entry = 1814   
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))
BDBM341652
PNG
(5-(6-(2-(2-chloro-4-(methylsulfonamido)phenoxy)-ac...)
Show SMILES CN(C)C(=O)c1cc(F)c(s1)C1N(CCc2nc3sccn3c12)C(=O)COc1ccc(NS(C)(=O)=O)cc1Cl
Show InChI InChI=1S/C24H23ClFN5O5S3/c1-29(2)23(33)18-11-15(26)22(38-18)21-20-16(27-24-31(20)8-9-37-24)6-7-30(21)19(32)12-36-17-5-4-13(10-14(17)25)28-39(3,34)35/h4-5,8-11,21,28H,6-7,12H2,1-3H3
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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)

More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341713
PNG
(1-(6-Chloro-5-(2-(5-(4-chloro-2-fluorophenyl)-2-me...)
Show SMILES Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1ccc(nc1Cl)N1CCCC1=O)c1ccc(Cl)cc1F
Show InChI InChI=1S/C25H21Cl2FN6O3S/c1-13-31-34-23-17(29-25(34)38-13)8-10-33(22(23)15-5-4-14(26)11-16(15)28)21(36)12-37-18-6-7-19(30-24(18)27)32-9-2-3-20(32)35/h4-7,11,22H,2-3,8-10,12H2,1H3
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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)

More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341725
PNG
(2-((6-(2-Oxa-5-azabicyclo[2.2.1]heptan-5-yl)-2-chl...)
Show SMILES Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1ccc(nc1Cl)N1CC2CC1CO2)c1ccc(Cl)cc1F
Show InChI InChI=1S/C26H23Cl2FN6O3S/c1-13-32-35-24-19(30-26(35)39-13)6-7-33(23(24)17-3-2-14(27)8-18(17)29)22(36)12-38-20-4-5-21(31-25(20)28)34-10-16-9-15(34)11-37-16/h2-5,8,15-16,23H,6-7,9-12H2,1H3
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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)

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)

More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341466
PNG
(5-(6-(2-((2-chloro-6-morpholinopyridin-3-yl)oxy)ac...)
Show SMILES CN(C)C(=O)c1cc(F)c(s1)C1N(CCc2nc3sc(C)nn3c12)C(=O)COc1ccc(nc1Cl)N1CCOCC1
Show InChI InChI=1S/C26H27ClFN7O4S2/c1-14-31-35-21-16(29-26(35)40-14)6-7-34(22(21)23-15(28)12-18(41-23)25(37)32(2)3)20(36)13-39-17-4-5-19(30-24(17)27)33-8-10-38-11-9-33/h4-5,12,22H,6-11,13H2,1-3H3
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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)

More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341518
PNG
(2-((2-chloro-6-morpholinopyridin-3-yl)oxy)-1-(2-me...)
Show SMILES Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1ccc(nc1Cl)N1CCOCC1)c1scnc1C
Show InChI InChI=1S/C23H24ClN7O3S2/c1-13-21(35-12-25-13)20-19-15(26-23-31(19)28-14(2)36-23)5-6-30(20)18(32)11-34-16-3-4-17(27-22(16)24)29-7-9-33-10-8-29/h3-4,12,20H,5-11H2,1-2H3
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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)

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)

More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341638
PNG
(N-(6-chloro-5-(2-(5-(4-chloro-2-fluorophenyl)-7,8-...)
Show SMILES CS(=O)(=O)Nc1ccc(OCC(=O)N2CCc3nc4sccn4c3C2c2ccc(Cl)cc2F)c(Cl)n1
Show InChI InChI=1S/C22H18Cl2FN5O4S2/c1-36(32,33)28-17-5-4-16(21(24)27-17)34-11-18(31)29-7-6-15-20(30-8-9-35-22(30)26-15)19(29)13-3-2-12(23)10-14(13)25/h2-5,8-10,19H,6-7,11H2,1H3,(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)

More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341346
PNG
(1-(5-(4-chloro-2-fluorophenyl)-2-methyl-7,8-dihydr...)
Show SMILES CN(CC(F)(F)F)c1ccc(OCC(=O)N2CCc3nc4sc(C)nn4c3C2c2ccc(Cl)cc2F)c(Cl)n1
Show InChI InChI=1S/C24H20Cl2F4N6O2S/c1-12-33-36-21-16(31-23(36)39-12)7-8-35(20(21)14-4-3-13(25)9-15(14)27)19(37)10-38-17-5-6-18(32-22(17)26)34(2)11-24(28,29)30/h3-6,9,20H,7-8,10-11H2,1-2H3
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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)

More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341710
PNG
(1-(5-(4-Chloro-2-fluorophenyl)-2-methyl-7,8-dihydr...)
Show SMILES COCCN(C)c1ccc(OCC(=O)N2CCc3nc4sc(C)nn4c3C2c2ccc(Cl)cc2F)c(Cl)n1
Show InChI InChI=1S/C25H25Cl2FN6O3S/c1-14-31-34-23-18(29-25(34)38-14)8-9-33(22(23)16-5-4-15(26)12-17(16)28)21(35)13-37-19-6-7-20(30-24(19)27)32(2)10-11-36-3/h4-7,12,22H,8-11,13H2,1-3H3
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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)

More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341714
PNG
(1-(5-(4-Chloro-2-fluorophenyl)-2-methyl-7,8-dihydr...)
Show SMILES Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1ccc(nc1Cl)N1CC(F)(F)C1)c1ccc(Cl)cc1F
Show InChI InChI=1S/C24H19Cl2F3N6O2S/c1-12-32-35-21-16(30-23(35)38-12)6-7-34(20(21)14-3-2-13(25)8-15(14)27)19(36)9-37-17-4-5-18(31-22(17)26)33-10-24(28,29)11-33/h2-5,8,20H,6-7,9-11H2,1H3
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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)

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)

More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341724
PNG
(1-(5-(4-Chloro-2-fluorophenyl)-2-methyl-7,8-dihydr...)
Show SMILES Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1ccc(nc1Cl)N1CCC(F)(F)CC1)c1ccc(Cl)cc1F
Show InChI InChI=1S/C26H23Cl2F3N6O2S/c1-14-34-37-23-18(32-25(37)40-14)6-9-36(22(23)16-3-2-15(27)12-17(16)29)21(38)13-39-19-4-5-20(33-24(19)28)35-10-7-26(30,31)8-11-35/h2-5,12,22H,6-11,13H2,1H3
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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)

More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341728
PNG
(1-(5-(4-Chloro-2-fluorophenyl)-2-methyl-7,8-dihydr...)
Show SMILES Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1ccc(nc1Cl)N1CCC(F)(F)C1)c1ccc(Cl)cc1F
Show InChI InChI=1S/C25H21Cl2F3N6O2S/c1-13-33-36-22-17(31-24(36)39-13)6-8-35(21(22)15-3-2-14(26)10-16(15)28)20(37)11-38-18-4-5-19(32-23(18)27)34-9-7-25(29,30)12-34/h2-5,10,21H,6-9,11-12H2,1H3
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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)

More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341391
PNG
(2-((2-chloro-6-morpholinopyridin-3-yl)oxy)-1-(5-(4...)
Show SMILES Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1ccc(nc1Cl)N1CCOCC1)c1ccc(cc1F)C1CC1
Show InChI InChI=1S/C28H28ClFN6O3S/c1-16-33-36-26-21(31-28(36)40-16)8-9-35(25(26)19-5-4-18(14-20(19)30)17-2-3-17)24(37)15-39-22-6-7-23(32-27(22)29)34-10-12-38-13-11-34/h4-7,14,17,25H,2-3,8-13,15H2,1H3
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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)

More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341396
PNG
(2-((2-chloro-6-(dimethylamino)pyridin-3-yl)oxy)-1-...)
Show SMILES CN(C)c1ccc(OCC(=O)N2CCc3nc4sc(C)nn4c3C2c2ccc(cc2F)C2CC2)c(Cl)n1
Show InChI InChI=1S/C26H26ClFN6O2S/c1-14-31-34-24-19(29-26(34)37-14)10-11-33(23(24)17-7-6-16(12-18(17)28)15-4-5-15)22(35)13-36-20-8-9-21(32(2)3)30-25(20)27/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)

More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341430
PNG
(6-chloro-5-(2-(5-(5-cyclopropyl-3-fluoropyridin-2-...)
Show SMILES CN(C)C(=O)c1ccc(OCC(=O)N2CCc3nc4sc(C)nn4c3C2c2ncc(cc2F)C2CC2)c(Cl)n1
Show InChI InChI=1S/C26H25ClFN7O3S/c1-13-32-35-22-17(31-26(35)39-13)8-9-34(23(22)21-16(28)10-15(11-29-21)14-4-5-14)20(36)12-38-19-7-6-18(30-24(19)27)25(37)33(2)3/h6-7,10-11,14,23H,4-5,8-9,12H2,1-3H3
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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)

More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341617
PNG
(1-(5-(3,4-dimethoxyphenyl)-7,8-dihydrothiazolo-[2'...)
Show SMILES COc1ccc(cc1OC)C1N(CCc2nc3sccn3c12)C(=O)COc1ccc2ccccc2c1
Show InChI InChI=1S/C28H25N3O4S/c1-33-23-10-8-20(16-24(23)34-2)26-27-22(29-28-31(27)13-14-36-28)11-12-30(26)25(32)17-35-21-9-7-18-5-3-4-6-19(18)15-21/h3-10,13-16,26H,11-12,17H2,1-2H3
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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)

More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341629
PNG
(1-(5-(2-fluoro-4-methoxyphenyl)-7,8-dihydrothiazol...)
Show SMILES COc1ccc(C2N(CCc3nc4sccn4c23)C(=O)COc2ccc3ccncc3c2)c(F)c1
Show InChI InChI=1S/C26H21FN4O3S/c1-33-18-4-5-20(21(27)13-18)24-25-22(29-26-31(25)10-11-35-26)7-9-30(24)23(32)15-34-19-3-2-16-6-8-28-14-17(16)12-19/h2-6,8,10-14,24H,7,9,15H2,1H3
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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)

More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341632
PNG
(1-((5R)-5-(4-chloro-2-fluorophenyl)-4a,5-dihydro-t...)
Show SMILES Fc1cc(Cl)ccc1[C@@H]1C2N3C=CSC3=NC2=CCN1C(=O)COc1ccc(cc1Cl)N1CCOCC1
Show InChI InChI=1S/C26H23Cl2FN4O3S/c27-16-1-3-18(20(29)13-16)24-25-21(30-26-33(25)9-12-37-26)5-6-32(24)23(34)15-36-22-4-2-17(14-19(22)28)31-7-10-35-11-8-31/h1-5,9,12-14,24-25H,6-8,10-11,15H2/t24-,25?/m1/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)

More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341636
PNG
(1-(5-(4-chloro-2-fluorophenyl)-7,8-dihydrothiazolo...)
Show SMILES Fc1cc(Cl)ccc1C1N(CCc2nc3sccn3c12)C(=O)COc1ccc(nc1Cl)N1CCOCC1
Show InChI InChI=1S/C25H22Cl2FN5O3S/c26-15-1-2-16(17(28)13-15)22-23-18(29-25-33(23)9-12-37-25)5-6-32(22)21(34)14-36-19-3-4-20(30-24(19)27)31-7-10-35-11-8-31/h1-4,9,12-13,22H,5-8,10-11,14H2
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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)

More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341644
PNG
(2-((2-chloro-6-morpholinopyridin-3-yl)oxy)-1-(5-(4...)
Show SMILES Fc1cc(ccc1C1N(CCc2nc3sccn3c12)C(=O)COc1ccc(nc1Cl)N1CCOCC1)C1CC1
Show InChI InChI=1S/C28H27ClFN5O3S/c29-27-22(5-6-23(32-27)33-9-12-37-13-10-33)38-16-24(36)34-8-7-21-26(35-11-14-39-28(35)31-21)25(34)19-4-3-18(15-20(19)30)17-1-2-17/h3-6,11,14-15,17,25H,1-2,7-10,12-13,16H2
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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)

More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341327
PNG
(2-(2-chloro-4-(morpholinomethyl)phenoxy)-1-(5-(2-f...)
Show SMILES COc1ccc(C2N(CCc3nc4sc(C)nn4c23)C(=O)COc2ccc(CN3CCOCC3)cc2Cl)c(F)c1
Show InChI InChI=1S/C28H29ClFN5O4S/c1-17-32-35-27-23(31-28(35)40-17)7-8-34(26(27)20-5-4-19(37-2)14-22(20)30)25(36)16-39-24-6-3-18(13-21(24)29)15-33-9-11-38-12-10-33/h3-6,13-14,26H,7-12,15-16H2,1-2H3
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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)

More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341333
PNG
(1-(5-(4-chloro-2-fluorophenyl)-2-methyl-7,8-dihydr...)
Show SMILES Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1ccc(cc1Cl)N1CCOCC1)c1ccc(Cl)cc1F
Show InChI InChI=1S/C26H24Cl2FN5O3S/c1-15-31-34-25-21(30-26(34)38-15)6-7-33(24(25)18-4-2-16(27)12-20(18)29)23(35)14-37-22-5-3-17(13-19(22)28)32-8-10-36-11-9-32/h2-5,12-13,24H,6-11,14H2,1H3
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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)

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)

More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341726
PNG
(1-(5-(4-Chloro-2-fluorophenyl)-2-methyl-7,8-dihydr...)
Show SMILES Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1ccc(cc1Cl)C1CC1)c1ccc(Cl)cc1F
Show InChI InChI=1S/C25H21Cl2FN4O2S/c1-13-30-32-24-20(29-25(32)35-13)8-9-31(23(24)17-6-5-16(26)11-19(17)28)22(33)12-34-21-7-4-15(10-18(21)27)14-2-3-14/h4-7,10-11,14,23H,2-3,8-9,12H2,1H3
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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)

More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341387
PNG
(1-(5-(4-cyclopropyl-2-fluorophenyl)-2-methyl-7,8-d...)
Show SMILES Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1cccnc1C(F)(F)F)c1ccc(cc1F)C1CC1
Show InChI InChI=1S/C25H21F4N5O2S/c1-13-32-34-22-18(31-24(34)37-13)8-10-33(21(22)16-7-6-15(11-17(16)26)14-4-5-14)20(35)12-36-19-3-2-9-30-23(19)25(27,28)29/h2-3,6-7,9,11,14,21H,4-5,8,10,12H2,1H3
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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)

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)

More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341419
PNG
(2-((2-chloro-6-morpholinopyridin-3-yl)oxy)-1-(2-me...)
Show SMILES Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1ccc(nc1Cl)N1CCOCC1)c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C27H25ClN8O4S/c1-16-32-36-22-18(29-27(36)41-16)9-10-35(23(22)26-31-25(33-40-26)17-5-3-2-4-6-17)21(37)15-39-19-7-8-20(30-24(19)28)34-11-13-38-14-12-34/h2-8,23H,9-15H2,1H3
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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)

More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341423
PNG
(2-((2-chloro-6-morpholinopyridin-3-yl)oxy)-1-(5-(5...)
Show SMILES Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1ccc(nc1Cl)N1CCOCC1)c1ncc(cc1F)C1CC1
Show InChI InChI=1S/C27H27ClFN7O3S/c1-15-33-36-24-19(31-27(36)40-15)6-7-35(25(24)23-18(29)12-17(13-30-23)16-2-3-16)22(37)14-39-20-4-5-21(32-26(20)28)34-8-10-38-11-9-34/h4-5,12-13,16,25H,2-3,6-11,14H2,1H3
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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)

More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341431
PNG
(2-((2-chloro-5-fluoro-6-morpholinopyridin-3-yl)oxy...)
Show SMILES Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1cc(F)c(nc1Cl)N1CCOCC1)c1ncc(cc1F)C1CC1
Show InChI InChI=1S/C27H26ClF2N7O3S/c1-14-34-37-23-19(32-27(37)41-14)4-5-36(24(23)22-17(29)10-16(12-31-22)15-2-3-15)21(38)13-40-20-11-18(30)26(33-25(20)28)35-6-8-39-9-7-35/h10-12,15,24H,2-9,13H2,1H3
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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)

More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341432
PNG
(2-((2-chloro-6-(methyl(2,2,2-trifluoroethyl)amino)...)
Show SMILES CN(CC(F)(F)F)c1ccc(OCC(=O)N2CCc3nc4sc(C)nn4c3C2c2ncc(cc2F)C2CC2)c(Cl)n1
Show InChI InChI=1S/C26H24ClF4N7O2S/c1-13-35-38-22-17(33-25(38)41-13)7-8-37(23(22)21-16(28)9-15(10-32-21)14-3-4-14)20(39)11-40-18-5-6-19(34-24(18)27)36(2)12-26(29,30)31/h5-6,9-10,14,23H,3-4,7-8,11-12H2,1-2H3
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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)

More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341476
PNG
((R)-6-chloro-5-(2-(5-(5-(dimethylcarbamoyl)-3-fluo...)
Show SMILES CN(C)C(=O)c1cc(F)c(s1)[C@@H]1N(CCc2nc3sc(C)nn3c12)C(=O)COc1ccc(nc1Cl)C(=O)N(C)C
Show InChI InChI=1S/C25H25ClFN7O4S2/c1-12-30-34-19-14(29-25(34)39-12)8-9-33(20(19)21-13(27)10-17(40-21)24(37)32(4)5)18(35)11-38-16-7-6-15(28-22(16)26)23(36)31(2)3/h6-7,10,20H,8-9,11H2,1-5H3/t20-/m1/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)

More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341524
PNG
(1-(5-(5-chloro-3-fluoropyridin-2-yl)-2-methyl-7,8-...)
Show SMILES Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1ccc(nc1Cl)N1CC(F)(F)C1)c1ncc(Cl)cc1F
Show InChI InChI=1S/C23H18Cl2F3N7O2S/c1-11-32-35-19-14(30-22(35)38-11)4-5-34(20(19)18-13(26)6-12(24)7-29-18)17(36)8-37-15-2-3-16(31-21(15)25)33-9-23(27,28)10-33/h2-3,6-7,20H,4-5,8-10H2,1H3
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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)

More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341618
PNG
(2-(2-chloro-4-(morpholinomethyl)phenoxy)-1-(5-(3,4...)
Show SMILES COc1ccc(cc1OC)C1N(CCc2nc3sccn3c12)C(=O)COc1ccc(CN2CCOCC2)cc1Cl
Show InChI InChI=1S/C29H31ClN4O5S/c1-36-24-6-4-20(16-25(24)37-2)27-28-22(31-29-34(28)11-14-40-29)7-8-33(27)26(35)18-39-23-5-3-19(15-21(23)30)17-32-9-12-38-13-10-32/h3-6,11,14-16,27H,7-10,12-13,17-18H2,1-2H3
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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)

More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341627
PNG
(2-(2-chloro-4-(morpholinomethyl)phenoxy)-1-(5-(2-f...)
Show SMILES COc1ccc(C2N(CCc3nc4sccn4c23)C(=O)COc2ccc(CN3CCOCC3)cc2Cl)c(F)c1
Show InChI InChI=1S/C28H28ClFN4O4S/c1-36-19-3-4-20(22(30)15-19)26-27-23(31-28-34(27)10-13-39-28)6-7-33(26)25(35)17-38-24-5-2-18(14-21(24)29)16-32-8-11-37-12-9-32/h2-5,10,13-15,26H,6-9,11-12,16-17H2,1H3
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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)

More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341648
PNG
(6-chloro-5-(2-(5-(3-fluorothiophen-2-yl)-7,8-dihyd...)
Show SMILES CN(C)C(=O)c1ccc(OCC(=O)N2CCc3nc4sccn4c3C2c2sccc2F)c(Cl)n1
Show InChI InChI=1S/C22H19ClFN5O3S2/c1-27(2)21(31)14-3-4-15(20(23)25-14)32-11-16(30)28-7-5-13-17(29-8-10-34-22(29)26-13)18(28)19-12(24)6-9-33-19/h3-4,6,8-10,18H,5,7,11H2,1-2H3
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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)

More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341653
PNG
(6-chloro-5-(2-(5-(5-(dimethylcarbamoyl)-3-fluoro-t...)
Show SMILES CN(C)C(=O)c1cc(F)c(s1)C1N(CCc2nc3sccn3c12)C(=O)COc1ccc(nc1Cl)C(=O)N(C)C
Show InChI InChI=1S/C25H24ClFN6O4S2/c1-30(2)23(35)15-5-6-16(22(26)28-15)37-12-18(34)32-8-7-14-19(33-9-10-38-25(33)29-14)20(32)21-13(27)11-17(39-21)24(36)31(3)4/h5-6,9-11,20H,7-8,12H2,1-4H3
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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)

More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341654
PNG
(2-(4-chloro-2-methylphenoxy)-1-(5-(2-fluoro-4-meth...)
Show SMILES Cc1ccc(C2N(CCc3nc4sccn4c23)C(=O)COc2ccc(Cl)cc2C)c(F)c1
Show InChI InChI=1S/C24H21ClFN3O2S/c1-14-3-5-17(18(26)11-14)22-23-19(27-24-29(23)9-10-32-24)7-8-28(22)21(30)13-31-20-6-4-16(25)12-15(20)2/h3-6,9-12,22H,7-8,13H2,1-2H3
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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)

More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341334
PNG
(1-(5-(4-chloro-2-fluorophenyl)-2-methyl-7,8-dihydr...)
Show SMILES Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1ccc(nc1Cl)N1CCOCC1)c1ccc(Cl)cc1F
Show InChI InChI=1S/C25H23Cl2FN6O3S/c1-14-31-34-23-18(29-25(34)38-14)6-7-33(22(23)16-3-2-15(26)12-17(16)28)21(35)13-37-19-4-5-20(30-24(19)27)32-8-10-36-11-9-32/h2-5,12,22H,6-11,13H2,1H3
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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)

More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341341
PNG
(6-chloro-5-(2-(5-(4-chloro-2-fluorophenyl)-2-methy...)
Show SMILES Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1ccc(nc1Cl)C(N)=O)c1ccc(Cl)cc1F
Show InChI InChI=1S/C22H17Cl2FN6O3S/c1-10-29-31-19-14(28-22(31)35-10)6-7-30(18(19)12-3-2-11(23)8-13(12)25)17(32)9-34-16-5-4-15(21(26)33)27-20(16)24/h2-5,8,18H,6-7,9H2,1H3,(H2,26,33)
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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)

More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341342
PNG
(6-chloro-5-(2-(5-(4-chloro-2-fluorophenyl)-2-methy...)
Show SMILES CNC(=O)c1ccc(OCC(=O)N2CCc3nc4sc(C)nn4c3C2c2ccc(Cl)cc2F)c(Cl)n1
Show InChI InChI=1S/C23H19Cl2FN6O3S/c1-11-30-32-20-15(29-23(32)36-11)7-8-31(19(20)13-4-3-12(24)9-14(13)26)18(33)10-35-17-6-5-16(22(34)27-2)28-21(17)25/h3-6,9,19H,7-8,10H2,1-2H3,(H,27,34)
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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)

More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341347
PNG
(N-(6-chloro-5-(2-(5-(4-chloro-2-fluorophenyl)-2-me...)
Show SMILES Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1ccc(NS(C)(=O)=O)nc1Cl)c1ccc(Cl)cc1F
Show InChI InChI=1S/C22H19Cl2FN6O4S2/c1-11-28-31-20-15(26-22(31)36-11)7-8-30(19(20)13-4-3-12(23)9-14(13)25)18(32)10-35-16-5-6-17(27-21(16)24)29-37(2,33)34/h3-6,9,19H,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)

More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341709
PNG
(1-(5-(4-Chloro-2-fluorophenyl)-2-methyl-7,8-dihydr...)
Show SMILES CN(CCO)c1ccc(OCC(=O)N2CCc3nc4sc(C)nn4c3C2c2ccc(Cl)cc2F)c(Cl)n1
Show InChI InChI=1S/C24H23Cl2FN6O3S/c1-13-30-33-22-17(28-24(33)37-13)7-8-32(21(22)15-4-3-14(25)11-16(15)27)20(35)12-36-18-5-6-19(29-23(18)26)31(2)9-10-34/h3-6,11,21,34H,7-10,12H2,1-2H3
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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)

More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341730
PNG
(5-(6-(2-((2-chloro-6-morpholinopyridin-3-yl)oxy)ac...)
Show SMILES CN(C)C(=O)c1csc(c1)C1N(CCc2nc3sc(C)nn3c12)C(=O)COc1ccc(nc1Cl)N1CCOCC1
Show InChI InChI=1S/C26H28ClN7O4S2/c1-15-30-34-22-17(28-26(34)40-15)6-7-33(23(22)19-12-16(14-39-19)25(36)31(2)3)21(35)13-38-18-4-5-20(29-24(18)27)32-8-10-37-11-9-32/h4-5,12,14,23H,6-11,13H2,1-3H3
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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)

More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341757
PNG
(2-(6-(2-((2-Chloro-6-morpholinopyridin-3-yl)oxy)ac...)
Show SMILES CNC(=O)c1csc(n1)C1N(CCc2nc3sc(C)nn3c12)C(=O)COc1ccc(nc1Cl)N1CCOCC1
Show InChI InChI=1S/C24H25ClN8O4S2/c1-13-30-33-19-14(28-24(33)39-13)5-6-32(20(19)23-27-15(12-38-23)22(35)26-2)18(34)11-37-16-3-4-17(29-21(16)25)31-7-9-36-10-8-31/h3-4,12,20H,5-11H2,1-2H3,(H,26,35)
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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)

More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341760
PNG
(2-(6-(2-((2-Chloro-6-morpholinopyridin-3-yl)oxy)ac...)
Show SMILES Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1ccc(nc1Cl)N1CCOCC1)c1nc(cs1)C(N)=O
Show InChI InChI=1S/C23H23ClN8O4S2/c1-12-29-32-18-13(27-23(32)38-12)4-5-31(19(18)22-26-14(11-37-22)21(25)34)17(33)10-36-15-2-3-16(28-20(15)24)30-6-8-35-9-7-30/h2-3,11,19H,4-10H2,1H3,(H2,25,34)
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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)

More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341439
PNG
(1-(5-(6-chloro-2-fluoropyridin-3-yl)-2-methyl-7,8-...)
Show SMILES CN(C)c1ccc(OCC(=O)N2CCc3nc4sc(C)nn4c3C2c2ccc(Cl)nc2F)c(Cl)n1
Show InChI InChI=1S/C22H20Cl2FN7O2S/c1-11-29-32-19-13(26-22(32)35-11)8-9-31(18(19)12-4-6-15(23)27-21(12)25)17(33)10-34-14-5-7-16(30(2)3)28-20(14)24/h4-7,18H,8-10H2,1-3H3
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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)

More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341445
PNG
(1-(5-(6-chloro-2-fluoropyridin-3-yl)-2-methyl-7,8-...)
Show SMILES Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1ccc(cc1Cl)C(F)(F)F)c1ccc(Cl)nc1F
Show InChI InChI=1S/C22H15Cl2F4N5O2S/c1-10-31-33-19-14(29-21(33)36-10)6-7-32(18(19)12-3-5-16(24)30-20(12)25)17(34)9-35-15-4-2-11(8-13(15)23)22(26,27)28/h2-5,8,18H,6-7,9H2,1H3
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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)

More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341450
PNG
(Methyl 5-(6-(2-((2-chloro-6-morpholinopyridin-3-yl...)
Show SMILES COC(=O)c1csc(c1)C1N(CCc2nc3sc(C)nn3c12)C(=O)COc1ccc(nc1Cl)N1CCOCC1
Show InChI InChI=1S/C25H25ClN6O5S2/c1-14-29-32-21-16(27-25(32)39-14)5-6-31(22(21)18-11-15(13-38-18)24(34)35-2)20(33)12-37-17-3-4-19(28-23(17)26)30-7-9-36-10-8-30/h3-4,11,13,22H,5-10,12H2,1-2H3
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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)

More data for this
Ligand-Target Pair
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