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Compile Data Set for Download or QSAR

Found 810 hits with Last Name = 'nayler' and Initial = 'o'   
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
Urotensin II receptor


(Homo sapiens (Human))
BDBM86516
PNG
(ETPDCFWKYCV | Human U-II | L-Ala-Gly-L-Thr-L-Ala-L...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O)C(O)=O
Show InChI InChI=1S/C62H86N14O17S2/c1-31(2)50(62(92)93)76-60(90)47(30-95)74-56(86)43(24-36-18-20-38(78)21-19-36)70-54(84)41(17-11-12-22-63)68-57(87)44(25-37-27-65-40-16-10-9-15-39(37)40)72-55(85)42(23-35-13-7-6-8-14-35)71-59(89)46(29-94)73-58(88)45(26-49(80)81)69-53(83)33(4)67-61(91)51(34(5)77)75-48(79)28-66-52(82)32(3)64/h6-10,13-16,18-21,27,31-34,41-47,50-51,65,77-78,94-95H,11-12,17,22-26,28-30,63-64H2,1-5H3,(H,66,82)(H,67,91)(H,68,87)(H,69,83)(H,70,84)(H,71,89)(H,72,85)(H,73,88)(H,74,86)(H,75,79)(H,76,90)(H,80,81)(H,92,93)/t32-,33-,34+,41-,42-,43-,44-,45-,46-,47-,50-,51-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 311: 204-12 (2004)


Article DOI: 10.1124/jpet.104.068320
BindingDB Entry DOI: 10.7270/Q2H993RW
More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM86516
PNG
(ETPDCFWKYCV | Human U-II | L-Ala-Gly-L-Thr-L-Ala-L...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O)C(O)=O
Show InChI InChI=1S/C62H86N14O17S2/c1-31(2)50(62(92)93)76-60(90)47(30-95)74-56(86)43(24-36-18-20-38(78)21-19-36)70-54(84)41(17-11-12-22-63)68-57(87)44(25-37-27-65-40-16-10-9-15-39(37)40)72-55(85)42(23-35-13-7-6-8-14-35)71-59(89)46(29-94)73-58(88)45(26-49(80)81)69-53(83)33(4)67-61(91)51(34(5)77)75-48(79)28-66-52(82)32(3)64/h6-10,13-16,18-21,27,31-34,41-47,50-51,65,77-78,94-95H,11-12,17,22-26,28-30,63-64H2,1-5H3,(H,66,82)(H,67,91)(H,68,87)(H,69,83)(H,70,84)(H,71,89)(H,72,85)(H,73,88)(H,74,86)(H,75,79)(H,76,90)(H,80,81)(H,92,93)/t32-,33-,34+,41-,42-,43-,44-,45-,46-,47-,50-,51-/m0/s1
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6.70n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 311: 204-12 (2004)


Article DOI: 10.1124/jpet.104.068320
BindingDB Entry DOI: 10.7270/Q2H993RW
More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50302272
PNG
(1-(2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl)-3-(2...)
Show SMILES Cc1cc(NC(=O)NCCN2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1
Show InChI InChI=1S/C25H30N4O2/c1-19-17-23(21-9-5-6-10-22(21)27-19)28-24(30)26-13-16-29-14-11-25(31,12-15-29)18-20-7-3-2-4-8-20/h2-10,17,31H,11-16,18H2,1H3,(H2,26,27,28,30)
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1.48E+3n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 311: 204-12 (2004)


Article DOI: 10.1124/jpet.104.068320
BindingDB Entry DOI: 10.7270/Q2H993RW
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
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ACTELION PHARMACEUTICALS LTD

US Patent




US Patent US9765092 (2017)


BindingDB Entry DOI: 10.7270/Q21N838B
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
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ACTELION PHARMACEUTICALS LTD

US Patent




US Patent US9765092 (2017)


BindingDB Entry DOI: 10.7270/Q21N838B
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
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ACTELION PHARMACEUTICALS LTD

US Patent




US Patent US9765092 (2017)


BindingDB Entry DOI: 10.7270/Q21N838B
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
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ACTELION PHARMACEUTICALS LTD

US Patent




US Patent US9765092 (2017)


BindingDB Entry DOI: 10.7270/Q21N838B
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
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ACTELION PHARMACEUTICALS LTD

US Patent




US Patent US9765092 (2017)


BindingDB Entry DOI: 10.7270/Q21N838B
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
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ACTELION PHARMACEUTICALS LTD

US Patent




US Patent US9765092 (2017)


BindingDB Entry DOI: 10.7270/Q21N838B
More data for this
Ligand-Target Pair
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
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ACTELION PHARMACEUTICALS LTD

US Patent




US Patent US9765092 (2017)


BindingDB Entry DOI: 10.7270/Q21N838B
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50158348
PNG
((2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihy...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O |r|
Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Displacement of [33P]S1P from human recombinant S1P4 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
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
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ACTELION PHARMACEUTICALS LTD

US Patent




US Patent US9765092 (2017)


BindingDB Entry DOI: 10.7270/Q21N838B
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
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ACTELION PHARMACEUTICALS LTD

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US Patent US9765092 (2017)


BindingDB Entry DOI: 10.7270/Q21N838B
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
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ACTELION PHARMACEUTICALS LTD

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US Patent US9765092 (2017)


BindingDB Entry DOI: 10.7270/Q21N838B
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
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ACTELION PHARMACEUTICALS LTD

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US Patent US9765092 (2017)


BindingDB Entry DOI: 10.7270/Q21N838B
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
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US Patent US9765092 (2017)


BindingDB Entry DOI: 10.7270/Q21N838B
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
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US Patent US9765092 (2017)


BindingDB Entry DOI: 10.7270/Q21N838B
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
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US Patent US9765092 (2017)


BindingDB Entry DOI: 10.7270/Q21N838B
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
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US Patent US9765092 (2017)


BindingDB Entry DOI: 10.7270/Q21N838B
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
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US Patent US9765092 (2017)


BindingDB Entry DOI: 10.7270/Q21N838B
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
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US Patent US9765092 (2017)


BindingDB Entry DOI: 10.7270/Q21N838B
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
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US Patent US9765092 (2017)


BindingDB Entry DOI: 10.7270/Q21N838B
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
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US Patent US9765092 (2017)


BindingDB Entry DOI: 10.7270/Q21N838B
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
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US Patent US9765092 (2017)


BindingDB Entry DOI: 10.7270/Q21N838B
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
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ACTELION PHARMACEUTICALS LTD

US Patent




US Patent US9765092 (2017)


BindingDB Entry DOI: 10.7270/Q21N838B
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
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ACTELION PHARMACEUTICALS LTD

US Patent




US Patent US9765092 (2017)


BindingDB Entry DOI: 10.7270/Q21N838B
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
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ACTELION PHARMACEUTICALS LTD

US Patent




US Patent US9765092 (2017)


BindingDB Entry DOI: 10.7270/Q21N838B
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
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ACTELION PHARMACEUTICALS LTD

US Patent




US Patent US9765092 (2017)


BindingDB Entry DOI: 10.7270/Q21N838B
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
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ACTELION PHARMACEUTICALS LTD

US Patent




US Patent US9765092 (2017)


BindingDB Entry DOI: 10.7270/Q21N838B
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
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ACTELION PHARMACEUTICALS LTD

US Patent




US Patent US9765092 (2017)


BindingDB Entry DOI: 10.7270/Q21N838B
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
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ACTELION PHARMACEUTICALS LTD

US Patent




US Patent US9765092 (2017)


BindingDB Entry DOI: 10.7270/Q21N838B
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
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US Patent US9765092 (2017)


BindingDB Entry DOI: 10.7270/Q21N838B
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
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US Patent




US Patent US9765092 (2017)


BindingDB Entry DOI: 10.7270/Q21N838B
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
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ACTELION PHARMACEUTICALS LTD

US Patent




US Patent US9765092 (2017)


BindingDB Entry DOI: 10.7270/Q21N838B
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 |c:12,16,19|
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ACTELION PHARMACEUTICALS LTD

US Patent




US Patent US9765092 (2017)


BindingDB Entry DOI: 10.7270/Q21N838B
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
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ACTELION PHARMACEUTICALS LTD

US Patent




US Patent US9765092 (2017)


BindingDB Entry DOI: 10.7270/Q21N838B
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
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ACTELION PHARMACEUTICALS LTD

US Patent




US Patent US9765092 (2017)


BindingDB Entry DOI: 10.7270/Q21N838B
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
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US Patent US9765092 (2017)


BindingDB Entry DOI: 10.7270/Q21N838B
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341539
PNG
(2-((2-chloro-6-morpholinopyridin-3-yl)oxy)-1-(2-me...)
Show SMILES Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1ccc(nc1Cl)N1CCOCC1)c1cncs1
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US Patent US9765092 (2017)


BindingDB Entry DOI: 10.7270/Q21N838B
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341557
PNG
(2-((2-chloro-6-(1,1-dioxidoisothiazolidin-2-yl)pyr...)
Show SMILES Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1ccc(nc1Cl)N1CCCS1(=O)=O)c1ccc(C)c(F)c1F
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ACTELION PHARMACEUTICALS LTD

US Patent




US Patent US9765092 (2017)


BindingDB Entry DOI: 10.7270/Q21N838B
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341569
PNG
(2-((2-chloro-6-(1,1-dioxidoisothiazolidin-2-yl)pyr...)
Show SMILES Cc1nc(C)c(s1)C1N(CCc2nc3sc(C)nn3c12)C(=O)COc1ccc(nc1Cl)N1CCCS1(=O)=O
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US Patent US9765092 (2017)


BindingDB Entry DOI: 10.7270/Q21N838B
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341572
PNG
((R)-1-(5-(2,4-dimethylthiazol-5-yl)-2-methyl-7,8-d...)
Show SMILES CCc1nc(ccc1OCC(=O)N1CCc2nc3sc(C)nn3c2[C@@H]1c1sc(C)nc1C)N1CCCS1(=O)=O
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US Patent US9765092 (2017)


BindingDB Entry DOI: 10.7270/Q21N838B
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
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ACTELION PHARMACEUTICALS LTD

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US Patent US9765092 (2017)


BindingDB Entry DOI: 10.7270/Q21N838B
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
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ACTELION PHARMACEUTICALS LTD

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US Patent US9765092 (2017)


BindingDB Entry DOI: 10.7270/Q21N838B
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
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ACTELION PHARMACEUTICALS LTD

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US Patent US9765092 (2017)


BindingDB Entry DOI: 10.7270/Q21N838B
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
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ACTELION PHARMACEUTICALS LTD

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US Patent US9765092 (2017)


BindingDB Entry DOI: 10.7270/Q21N838B
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
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ACTELION PHARMACEUTICALS LTD

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US Patent US9765092 (2017)


BindingDB Entry DOI: 10.7270/Q21N838B
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341456
PNG
(6-chloro-5-(2-(5-(3-fluorothiophen-2-yl)-2-methyl-...)
Show SMILES CN(C)C(=O)c1ccc(OCC(=O)N2CCc3nc4sc(C)nn4c3C2c2sccc2F)c(Cl)n1
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US Patent US9765092 (2017)


BindingDB Entry DOI: 10.7270/Q21N838B
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341471
PNG
(5-(6-(2-((2-chloro-6-(3,3-difluoroazetidin-1-yl)py...)
Show SMILES CN(C)C(=O)c1cc(F)c(s1)C1N(CCc2nc3sc(C)nn3c12)C(=O)COc1ccc(nc1Cl)N1CC(F)(F)C1
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US Patent US9765092 (2017)


BindingDB Entry DOI: 10.7270/Q21N838B
More data for this
Ligand-Target Pair
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341472
PNG
(6-chloro-5-(2-(5-(5-(dimethylcarbamoyl)-3-fluoroth...)
Show SMILES CN(C)C(=O)c1cc(F)c(s1)C1N(CCc2nc3sc(C)nn3c12)C(=O)COc1ccc(nc1Cl)C(=O)N(C)C
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US Patent US9765092 (2017)


BindingDB Entry DOI: 10.7270/Q21N838B
More data for this
Ligand-Target Pair
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