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Patent code US9920053

Compile Data Set for Download or QSAR
Found 130 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
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM376888
PNG
(4-(aminomethyl)-1-[2,3-difluoro-5-(3-fluorophenoxy...)
Show SMILES NCC1(O)CCN(CC1)c1cc(Oc2cccc(F)c2)cc(F)c1F
Show InChI InChI=1S/C18H19F3N2O2/c19-12-2-1-3-13(8-12)25-14-9-15(20)17(21)16(10-14)23-6-4-18(24,11-22)5-7-23/h1-3,8-10,24H,4-7,11,22H2
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US Patent
n/an/a 0.891n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM376885
PNG
(4-(aminomethyl)-1-[2,5-difluoro-3-(3-fluorophenoxy...)
Show SMILES NCC1(O)CCN(CC1)c1cc(F)cc(Oc2cccc(F)c2)c1F
Show InChI InChI=1S/C18H19F3N2O2/c19-12-2-1-3-14(8-12)25-16-10-13(20)9-15(17(16)21)23-6-4-18(24,11-22)5-7-23/h1-3,8-10,24H,4-7,11,22H2
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n/an/a 0.912n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM376906
PNG
(6-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidi...)
Show SMILES Fc1cccc(Oc2cc(nc(n2)N2CCC3NCCCC3C2)C(F)(F)F)c1
Show InChI InChI=1/C19H20F4N4O/c20-13-4-1-5-14(9-13)28-17-10-16(19(21,22)23)25-18(26-17)27-8-6-15-12(11-27)3-2-7-24-15/h1,4-5,9-10,12,15,24H,2-3,6-8,11H2
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n/an/a 1.26n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM376902
PNG
(3-(aminomethyl)-1-[4-(3-fluorophenoxy)-6-(trifluor...)
Show SMILES NCC1(O)CCN(C1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1/C16H16F4N4O2/c17-10-2-1-3-11(6-10)26-13-7-12(16(18,19)20)22-14(23-13)24-5-4-15(25,8-21)9-24/h1-3,6-7,25H,4-5,8-9,21H2
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n/an/a 1.38n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM376884
PNG
(4-(aminomethyl)-1-[3-fluoro-5-(3-fluorophenoxy)phe...)
Show SMILES NCC1(O)CCN(CC1)c1cc(F)cc(Oc2cccc(F)c2)c1
Show InChI InChI=1S/C18H20F2N2O2/c19-13-2-1-3-16(9-13)24-17-10-14(20)8-15(11-17)22-6-4-18(23,12-21)5-7-22/h1-3,8-11,23H,4-7,12,21H2
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n/an/a 1.51n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM376872
PNG
(1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidi...)
Show SMILES OC1(CN2CCCC2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C21H24F4N4O2/c22-15-4-3-5-16(12-15)31-18-13-17(21(23,24)25)26-19(27-18)29-10-6-20(30,7-11-29)14-28-8-1-2-9-28/h3-5,12-13,30H,1-2,6-11,14H2
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n/an/a 1.58n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM376901
PNG
((3S or 3R)-3-[(cyclopropylamino)methyl]-1-[4-(3-fl...)
Show SMILES O[C@]1(CNC2CC2)CCN(C1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1/C19H20F4N4O2/c20-12-2-1-3-14(8-12)29-16-9-15(19(21,22)23)25-17(26-16)27-7-6-18(28,11-27)10-24-13-4-5-13/h1-3,8-9,13,24,28H,4-7,10-11H2/t18-/s2
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n/an/a 1.78n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM376900
PNG
(3-[(cyclopropylamino)methyl]-1-[4-(3-fluorophenoxy...)
Show SMILES OC1(CNC2CC2)CCN(C1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1/C19H20F4N4O2/c20-12-2-1-3-14(8-12)29-16-9-15(19(21,22)23)25-17(26-16)27-7-6-18(28,11-27)10-24-13-4-5-13/h1-3,8-9,13,24,28H,4-7,10-11H2
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n/an/a 1.91n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM376881
PNG
(4-(aminomethyl)-1-[4-(3-fluorophenoxy)-6-(trifluor...)
Show SMILES NCC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C17H18F4N4O2/c18-11-2-1-3-12(8-11)27-14-9-13(17(19,20)21)23-15(24-14)25-6-4-16(26,10-22)5-7-25/h1-3,8-9,26H,4-7,10,22H2
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n/an/a 1.91n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM376881
PNG
(4-(aminomethyl)-1-[4-(3-fluorophenoxy)-6-(trifluor...)
Show SMILES NCC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C17H18F4N4O2/c18-11-2-1-3-12(8-11)27-14-9-13(17(19,20)21)23-15(24-14)25-6-4-16(26,10-22)5-7-25/h1-3,8-9,26H,4-7,10,22H2
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n/an/a 2.75n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM376871
PNG
(4-[(dimethylamino)methyl]-1-[4-(3-fluorophenoxy)-6...)
Show SMILES CN(C)CC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C19H22F4N4O2/c1-26(2)12-18(28)6-8-27(9-7-18)17-24-15(19(21,22)23)11-16(25-17)29-14-5-3-4-13(20)10-14/h3-5,10-11,28H,6-9,12H2,1-2H3
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n/an/a 3.47n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM376890
PNG
(US9920053, Example 20 | {4-amino-1-[4-(3-fluorophe...)
Show SMILES NC1(CO)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C17H18F4N4O2/c18-11-2-1-3-12(8-11)27-14-9-13(17(19,20)21)23-15(24-14)25-6-4-16(22,10-26)5-7-25/h1-3,8-9,26H,4-7,10,22H2
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n/an/a 4.07n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM376875
PNG
(1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidi...)
Show SMILES CNCC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C18H20F4N4O2/c1-23-11-17(27)5-7-26(8-6-17)16-24-14(18(20,21)22)10-15(25-16)28-13-4-2-3-12(19)9-13/h2-4,9-10,23,27H,5-8,11H2,1H3
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n/an/a 4.68n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM376883
PNG
(US9920053, Example 13 | {4-fluoro-1-[4-(3-fluoroph...)
Show SMILES NCC1(F)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C17H17F5N4O/c18-11-2-1-3-12(8-11)27-14-9-13(17(20,21)22)24-15(25-14)26-6-4-16(19,10-23)5-7-26/h1-3,8-9H,4-7,10,23H2
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n/an/a 4.90n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM376895
PNG
(N-({1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyri...)
Show SMILES OC1(CNC(=O)C2CNC2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C21H23F4N5O3/c22-14-2-1-3-15(8-14)33-17-9-16(21(23,24)25)28-19(29-17)30-6-4-20(32,5-7-30)12-27-18(31)13-10-26-11-13/h1-3,8-9,13,26,32H,4-7,10-12H2,(H,27,31)
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n/an/a 5.01n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM376904
PNG
(N-({1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyri...)
Show SMILES OC1(CNC(=O)C2CNC2)CCN(C1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1/C20H21F4N5O3/c21-13-2-1-3-14(6-13)32-16-7-15(20(22,23)24)27-18(28-16)29-5-4-19(31,11-29)10-26-17(30)12-8-25-9-12/h1-3,6-7,12,25,31H,4-5,8-11H2,(H,26,30)
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n/an/a 5.62n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM376899
PNG
(2-amino-N-({1-[4-(3-fluorophenoxy)-6-(trifluoromet...)
Show SMILES NCC(=O)NCC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C19H21F4N5O3/c20-12-2-1-3-13(8-12)31-16-9-14(19(21,22)23)26-17(27-16)28-6-4-18(30,5-7-28)11-25-15(29)10-24/h1-3,8-9,30H,4-7,10-11,24H2,(H,25,29)
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n/an/a 6.03n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM376887
PNG
(4-(aminomethyl)-1-[2-fluoro-3-(3-fluorophenoxy)phe...)
Show SMILES NCC1(O)CCN(CC1)c1cccc(Oc2cccc(F)c2)c1F
Show InChI InChI=1S/C18H20F2N2O2/c19-13-3-1-4-14(11-13)24-16-6-2-5-15(17(16)20)22-9-7-18(23,12-21)8-10-22/h1-6,11,23H,7-10,12,21H2
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n/an/a 6.76n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM376873
PNG
(4-[(cyclopropylamino)methyl]-1-[4-(3-fluorophenoxy...)
Show SMILES OC1(CNC2CC2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C20H22F4N4O2/c21-13-2-1-3-15(10-13)30-17-11-16(20(22,23)24)26-18(27-17)28-8-6-19(29,7-9-28)12-25-14-4-5-14/h1-3,10-11,14,25,29H,4-9,12H2
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n/an/a 7.41n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM376877
PNG
(4-(1,4-diazepan-1-ylmethyl)-1-[4-(3-fluorophenoxy)...)
Show SMILES OC1(CN2CCCNCC2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C22H27F4N5O2/c23-16-3-1-4-17(13-16)33-19-14-18(22(24,25)26)28-20(29-19)31-10-5-21(32,6-11-31)15-30-9-2-7-27-8-12-30/h1,3-4,13-14,27,32H,2,5-12,15H2
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n/an/a 8.71n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM376889
PNG
(4-(aminomethyl)-1-[3,4-difluoro-5-(3-fluorophenoxy...)
Show SMILES NCC1(O)CCN(CC1)c1cc(F)c(F)c(Oc2cccc(F)c2)c1
Show InChI InChI=1S/C18H19F3N2O2/c19-12-2-1-3-14(8-12)25-16-10-13(9-15(20)17(16)21)23-6-4-18(24,11-22)5-7-23/h1-3,8-10,24H,4-7,11,22H2
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n/an/a 9.55n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM376879
PNG
(4-[(tert-butylamino)methyl]-1-[4-(3-fluorophenoxy)...)
Show SMILES CC(C)(C)NCC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C21H26F4N4O2/c1-19(2,3)26-13-20(30)7-9-29(10-8-20)18-27-16(21(23,24)25)12-17(28-18)31-15-6-4-5-14(22)11-15/h4-6,11-12,26,30H,7-10,13H2,1-3H3
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n/an/a 12.3n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM376905
PNG
(4-(3-fluorophenoxy)-2-{3H,4H,5H,6H,7H-imidazo[4,5-...)
Show SMILES Fc1cccc(Oc2cc(nc(n2)N2CCc3nc[nH]c3C2)C(F)(F)F)c1
Show InChI InChI=1S/C17H13F4N5O/c18-10-2-1-3-11(6-10)27-15-7-14(17(19,20)21)24-16(25-15)26-5-4-12-13(8-26)23-9-22-12/h1-3,6-7,9H,4-5,8H2,(H,22,23)
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n/an/a 12.6n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM376898
PNG
(N-({1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyri...)
Show SMILES OC1(CNC(=O)c2cnccn2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C22H20F4N6O3/c23-14-2-1-3-15(10-14)35-18-11-17(22(24,25)26)30-20(31-18)32-8-4-21(34,5-9-32)13-29-19(33)16-12-27-6-7-28-16/h1-3,6-7,10-12,34H,4-5,8-9,13H2,(H,29,33)
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n/an/a 13.8n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM376891
PNG
(N-({1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyri...)
Show SMILES CC(C)C(=O)NCC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C21H24F4N4O3/c1-13(2)18(30)26-12-20(31)6-8-29(9-7-20)19-27-16(21(23,24)25)11-17(28-19)32-15-5-3-4-14(22)10-15/h3-5,10-11,13,31H,6-9,12H2,1-2H3,(H,26,30)
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n/an/a 14.5n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM376886
PNG
(4-(aminomethyl)-1-(2-fluoro-3-phenoxyphenyl)piperi...)
Show SMILES NCC1(O)CCN(CC1)c1cccc(Oc2ccccc2)c1F
Show InChI InChI=1S/C18H21FN2O2/c19-17-15(21-11-9-18(22,13-20)10-12-21)7-4-8-16(17)23-14-5-2-1-3-6-14/h1-8,22H,9-13,20H2
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n/an/a 15.5n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM376893
PNG
(N-({1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyri...)
Show SMILES CC(C)OCC(=O)NCC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C22H26F4N4O4/c1-14(2)33-12-18(31)27-13-21(32)6-8-30(9-7-21)20-28-17(22(24,25)26)11-19(29-20)34-16-5-3-4-15(23)10-16/h3-5,10-11,14,32H,6-9,12-13H2,1-2H3,(H,27,31)
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n/an/a 17.8n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM376897
PNG
(N-({1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyri...)
Show SMILES OC1(CNC(=O)c2cn[nH]c2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C21H20F4N6O3/c22-14-2-1-3-15(8-14)34-17-9-16(21(23,24)25)29-19(30-17)31-6-4-20(33,5-7-31)12-26-18(32)13-10-27-28-11-13/h1-3,8-11,33H,4-7,12H2,(H,26,32)(H,27,28)
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n/an/a 19.1n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM376878
PNG
(4-[(2,5-dimethylpyrrolidin-1-yl)methyl]-1-[4-(3-fl...)
Show SMILES CC1CCC(C)N1CC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1/C23H28F4N4O2/c1-15-6-7-16(2)31(15)14-22(32)8-10-30(11-9-22)21-28-19(23(25,26)27)13-20(29-21)33-18-5-3-4-17(24)12-18/h3-5,12-13,15-16,32H,6-11,14H2,1-2H3
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n/an/a 21.9n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM376896
PNG
(N-({1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyri...)
Show SMILES OC1(CNC(=O)c2ccccc2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C24H22F4N4O3/c25-17-7-4-8-18(13-17)35-20-14-19(24(26,27)28)30-22(31-20)32-11-9-23(34,10-12-32)15-29-21(33)16-5-2-1-3-6-16/h1-8,13-14,34H,9-12,15H2,(H,29,33)
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n/an/a 22.4n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM376892
PNG
(2-cyclopropyl-N-({1-[4-(3-fluorophenoxy)-6-(triflu...)
Show SMILES OC1(CNC(=O)CC2CC2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C22H24F4N4O3/c23-15-2-1-3-16(11-15)33-19-12-17(22(24,25)26)28-20(29-19)30-8-6-21(32,7-9-30)13-27-18(31)10-14-4-5-14/h1-3,11-12,14,32H,4-10,13H2,(H,27,31)
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n/an/a 26.3n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM376872
PNG
(1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidi...)
Show SMILES OC1(CN2CCCC2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C21H24F4N4O2/c22-15-4-3-5-16(12-15)31-18-13-17(21(23,24)25)26-19(27-18)29-10-6-20(30,7-11-29)14-28-8-1-2-9-28/h3-5,12-13,30H,1-2,6-11,14H2
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n/an/a 26.9n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM376906
PNG
(6-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidi...)
Show SMILES Fc1cccc(Oc2cc(nc(n2)N2CCC3NCCCC3C2)C(F)(F)F)c1
Show InChI InChI=1/C19H20F4N4O/c20-13-4-1-5-14(9-13)28-17-10-16(19(21,22)23)25-18(26-17)27-8-6-15-12(11-27)3-2-7-24-15/h1,4-5,9-10,12,15,24H,2-3,6-8,11H2
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n/an/a 30.9n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM376888
PNG
(4-(aminomethyl)-1-[2,3-difluoro-5-(3-fluorophenoxy...)
Show SMILES NCC1(O)CCN(CC1)c1cc(Oc2cccc(F)c2)cc(F)c1F
Show InChI InChI=1S/C18H19F3N2O2/c19-12-2-1-3-13(8-12)25-14-9-15(20)17(21)16(10-14)23-6-4-18(24,11-22)5-7-23/h1-3,8-10,24H,4-7,11,22H2
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n/an/a 30.9n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM376894
PNG
(N-({1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyri...)
Show SMILES CC(=O)NCC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C19H20F4N4O3/c1-12(28)24-11-18(29)5-7-27(8-6-18)17-25-15(19(21,22)23)10-16(26-17)30-14-4-2-3-13(20)9-14/h2-4,9-10,29H,5-8,11H2,1H3,(H,24,28)
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n/an/a 38n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM376874
PNG
(4-{[cyclopropyl(methyl)amino]methyl}-1-[4-(3-fluor...)
Show SMILES CN(CC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C21H24F4N4O2/c1-28(15-5-6-15)13-20(30)7-9-29(10-8-20)19-26-17(21(23,24)25)12-18(27-19)31-16-4-2-3-14(22)11-16/h2-4,11-12,15,30H,5-10,13H2,1H3
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n/an/a 41.7n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM376885
PNG
(4-(aminomethyl)-1-[2,5-difluoro-3-(3-fluorophenoxy...)
Show SMILES NCC1(O)CCN(CC1)c1cc(F)cc(Oc2cccc(F)c2)c1F
Show InChI InChI=1S/C18H19F3N2O2/c19-12-2-1-3-14(8-12)25-16-10-13(20)9-15(17(16)21)23-6-4-18(24,11-22)5-7-23/h1-3,8-10,24H,4-7,11,22H2
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n/an/a 57.5n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM376880
PNG
(1-({1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyri...)
Show SMILES OC1(CN2CCCC2=O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C21H22F4N4O3/c22-14-3-1-4-15(11-14)32-17-12-16(21(23,24)25)26-19(27-17)28-9-6-20(31,7-10-28)13-29-8-2-5-18(29)30/h1,3-4,11-12,31H,2,5-10,13H2
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n/an/a 66.1n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM376871
PNG
(4-[(dimethylamino)methyl]-1-[4-(3-fluorophenoxy)-6...)
Show SMILES CN(C)CC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C19H22F4N4O2/c1-26(2)12-18(28)6-8-27(9-7-18)17-24-15(19(21,22)23)11-16(25-17)29-14-5-3-4-13(20)10-14/h3-5,10-11,28H,6-9,12H2,1-2H3
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n/an/a 100n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM376884
PNG
(4-(aminomethyl)-1-[3-fluoro-5-(3-fluorophenoxy)phe...)
Show SMILES NCC1(O)CCN(CC1)c1cc(F)cc(Oc2cccc(F)c2)c1
Show InChI InChI=1S/C18H20F2N2O2/c19-13-2-1-3-16(9-13)24-17-10-14(20)8-15(11-17)22-6-4-18(23,12-21)5-7-22/h1-3,8-11,23H,4-7,12,21H2
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n/an/a 117n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM376876
PNG
(4-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-[4-(3-fl...)
Show SMILES OC1(CN2CCC(F)(F)C2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C21H22F6N4O2/c22-14-2-1-3-15(10-14)33-17-11-16(21(25,26)27)28-18(29-17)31-8-4-19(32,5-9-31)12-30-7-6-20(23,24)13-30/h1-3,10-11,32H,4-9,12-13H2
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n/an/a 129n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM376901
PNG
((3S or 3R)-3-[(cyclopropylamino)methyl]-1-[4-(3-fl...)
Show SMILES O[C@]1(CNC2CC2)CCN(C1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1/C19H20F4N4O2/c20-12-2-1-3-14(8-12)29-16-9-15(19(21,22)23)25-17(26-16)27-7-6-18(28,11-27)10-24-13-4-5-13/h1-3,8-9,13,24,28H,4-7,10-11H2/t18-/s2
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n/an/a 138n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM376881
PNG
(4-(aminomethyl)-1-[4-(3-fluorophenoxy)-6-(trifluor...)
Show SMILES NCC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C17H18F4N4O2/c18-11-2-1-3-12(8-11)27-14-9-13(17(19,20)21)23-15(24-14)25-6-4-16(26,10-22)5-7-25/h1-3,8-9,26H,4-7,10,22H2
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n/an/a 145n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM376878
PNG
(4-[(2,5-dimethylpyrrolidin-1-yl)methyl]-1-[4-(3-fl...)
Show SMILES CC1CCC(C)N1CC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1/C23H28F4N4O2/c1-15-6-7-16(2)31(15)14-22(32)8-10-30(11-9-22)21-28-19(23(25,26)27)13-20(29-21)33-18-5-3-4-17(24)12-18/h3-5,12-13,15-16,32H,6-11,14H2,1-2H3
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CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM376900
PNG
(3-[(cyclopropylamino)methyl]-1-[4-(3-fluorophenoxy...)
Show SMILES OC1(CNC2CC2)CCN(C1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1/C19H20F4N4O2/c20-12-2-1-3-14(8-12)29-16-9-15(19(21,22)23)25-17(26-16)27-7-6-18(28,11-27)10-24-13-4-5-13/h1-3,8-9,13,24,28H,4-7,10-11H2
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CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM376872
PNG
(1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidi...)
Show SMILES OC1(CN2CCCC2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C21H24F4N4O2/c22-15-4-3-5-16(12-15)31-18-13-17(21(23,24)25)26-19(27-18)29-10-6-20(30,7-11-29)14-28-8-1-2-9-28/h3-5,12-13,30H,1-2,6-11,14H2
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CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM376875
PNG
(1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidi...)
Show SMILES CNCC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C18H20F4N4O2/c1-23-11-17(27)5-7-26(8-6-17)16-24-14(18(20,21)22)10-15(25-16)28-13-4-2-3-12(19)9-13/h2-4,9-10,23,27H,5-8,11H2,1H3
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CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM376871
PNG
(4-[(dimethylamino)methyl]-1-[4-(3-fluorophenoxy)-6...)
Show SMILES CN(C)CC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C19H22F4N4O2/c1-26(2)12-18(28)6-8-27(9-7-18)17-24-15(19(21,22)23)11-16(25-17)29-14-5-3-4-13(20)10-14/h3-5,10-11,28H,6-9,12H2,1-2H3
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CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM376904
PNG
(N-({1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyri...)
Show SMILES OC1(CNC(=O)C2CNC2)CCN(C1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1/C20H21F4N5O3/c21-13-2-1-3-14(6-13)32-16-7-15(20(22,23)24)27-18(28-16)29-5-4-19(31,11-29)10-26-17(30)12-8-25-9-12/h1-3,6-7,12,25,31H,4-5,8-11H2,(H,26,30)
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n/an/a 275n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM376877
PNG
(4-(1,4-diazepan-1-ylmethyl)-1-[4-(3-fluorophenoxy)...)
Show SMILES OC1(CN2CCCNCC2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C22H27F4N5O2/c23-16-3-1-4-17(13-16)33-19-14-18(22(24,25)26)28-20(29-19)31-10-5-21(32,6-11-31)15-30-9-2-7-27-8-12-30/h1,3-4,13-14,27,32H,2,5-12,15H2
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CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM376902
PNG
(3-(aminomethyl)-1-[4-(3-fluorophenoxy)-6-(trifluor...)
Show SMILES NCC1(O)CCN(C1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1/C16H16F4N4O2/c17-10-2-1-3-11(6-10)26-13-7-12(16(18,19)20)22-14(23-13)24-5-4-15(25,8-21)9-24/h1-3,6-7,25H,4-5,8-9,21H2
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n/an/a 302n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM376903
PNG
(N-({1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyri...)
Show SMILES CC(C)C(=O)NCC1(O)CCN(C1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1/C20H22F4N4O3/c1-12(2)17(29)25-10-19(30)6-7-28(11-19)18-26-15(20(22,23)24)9-16(27-18)31-14-5-3-4-13(21)8-14/h3-5,8-9,12,30H,6-7,10-11H2,1-2H3,(H,25,29)
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n/an/a 316n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM376890
PNG
(US9920053, Example 20 | {4-amino-1-[4-(3-fluorophe...)
Show SMILES NC1(CO)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C17H18F4N4O2/c18-11-2-1-3-12(8-11)27-14-9-13(17(19,20)21)23-15(24-14)25-6-4-16(22,10-26)5-7-25/h1-3,8-9,26H,4-7,10,22H2
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CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM376887
PNG
(4-(aminomethyl)-1-[2-fluoro-3-(3-fluorophenoxy)phe...)
Show SMILES NCC1(O)CCN(CC1)c1cccc(Oc2cccc(F)c2)c1F
Show InChI InChI=1S/C18H20F2N2O2/c19-13-3-1-4-14(11-13)24-16-6-2-5-15(17(16)20)22-9-7-18(23,12-21)8-10-22/h1-6,11,23H,7-10,12,21H2
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CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM376881
PNG
(4-(aminomethyl)-1-[4-(3-fluorophenoxy)-6-(trifluor...)
Show SMILES NCC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C17H18F4N4O2/c18-11-2-1-3-12(8-11)27-14-9-13(17(19,20)21)23-15(24-14)25-6-4-16(26,10-22)5-7-25/h1-3,8-9,26H,4-7,10,22H2
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n/an/a 347n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM376889
PNG
(4-(aminomethyl)-1-[3,4-difluoro-5-(3-fluorophenoxy...)
Show SMILES NCC1(O)CCN(CC1)c1cc(F)c(F)c(Oc2cccc(F)c2)c1
Show InChI InChI=1S/C18H19F3N2O2/c19-12-2-1-3-14(8-12)25-16-10-13(9-15(20)17(16)21)23-6-4-18(24,11-22)5-7-23/h1-3,8-10,24H,4-7,11,22H2
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n/an/a 363n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM376873
PNG
(4-[(cyclopropylamino)methyl]-1-[4-(3-fluorophenoxy...)
Show SMILES OC1(CNC2CC2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C20H22F4N4O2/c21-13-2-1-3-15(10-13)30-17-11-16(20(22,23)24)26-18(27-17)28-8-6-19(29,7-9-28)12-25-14-4-5-14/h1-3,10-11,14,25,29H,4-9,12H2
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CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM376883
PNG
(US9920053, Example 13 | {4-fluoro-1-[4-(3-fluoroph...)
Show SMILES NCC1(F)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C17H17F5N4O/c18-11-2-1-3-12(8-11)27-14-9-13(17(20,21)22)24-15(25-14)26-6-4-16(19,10-23)5-7-26/h1-3,8-9H,4-7,10,23H2
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n/an/a 398n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM376878
PNG
(4-[(2,5-dimethylpyrrolidin-1-yl)methyl]-1-[4-(3-fl...)
Show SMILES CC1CCC(C)N1CC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1/C23H28F4N4O2/c1-15-6-7-16(2)31(15)14-22(32)8-10-30(11-9-22)21-28-19(23(25,26)27)13-20(29-21)33-18-5-3-4-17(24)12-18/h3-5,12-13,15-16,32H,6-11,14H2,1-2H3
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CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM376884
PNG
(4-(aminomethyl)-1-[3-fluoro-5-(3-fluorophenoxy)phe...)
Show SMILES NCC1(O)CCN(CC1)c1cc(F)cc(Oc2cccc(F)c2)c1
Show InChI InChI=1S/C18H20F2N2O2/c19-13-2-1-3-16(9-13)24-17-10-14(20)8-15(11-17)22-6-4-18(23,12-21)5-7-22/h1-3,8-11,23H,4-7,12,21H2
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CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM376906
PNG
(6-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidi...)
Show SMILES Fc1cccc(Oc2cc(nc(n2)N2CCC3NCCCC3C2)C(F)(F)F)c1
Show InChI InChI=1/C19H20F4N4O/c20-13-4-1-5-14(9-13)28-17-10-16(19(21,22)23)25-18(26-17)27-8-6-15-12(11-27)3-2-7-24-15/h1,4-5,9-10,12,15,24H,2-3,6-8,11H2
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CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM376874
PNG
(4-{[cyclopropyl(methyl)amino]methyl}-1-[4-(3-fluor...)
Show SMILES CN(CC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C21H24F4N4O2/c1-28(15-5-6-15)13-20(30)7-9-29(10-8-20)19-26-17(21(23,24)25)12-18(27-19)31-16-4-2-3-14(22)11-16/h2-4,11-12,15,30H,5-10,13H2,1H3
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CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM376885
PNG
(4-(aminomethyl)-1-[2,5-difluoro-3-(3-fluorophenoxy...)
Show SMILES NCC1(O)CCN(CC1)c1cc(F)cc(Oc2cccc(F)c2)c1F
Show InChI InChI=1S/C18H19F3N2O2/c19-12-2-1-3-14(8-12)25-16-10-13(20)9-15(17(16)21)23-6-4-18(24,11-22)5-7-23/h1-3,8-10,24H,4-7,11,22H2
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CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM376874
PNG
(4-{[cyclopropyl(methyl)amino]methyl}-1-[4-(3-fluor...)
Show SMILES CN(CC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C21H24F4N4O2/c1-28(15-5-6-15)13-20(30)7-9-29(10-8-20)19-26-17(21(23,24)25)12-18(27-19)31-16-4-2-3-14(22)11-16/h2-4,11-12,15,30H,5-10,13H2,1H3
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n/an/a 794n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM376889
PNG
(4-(aminomethyl)-1-[3,4-difluoro-5-(3-fluorophenoxy...)
Show SMILES NCC1(O)CCN(CC1)c1cc(F)c(F)c(Oc2cccc(F)c2)c1
Show InChI InChI=1S/C18H19F3N2O2/c19-12-2-1-3-14(8-12)25-16-10-13(9-15(20)17(16)21)23-6-4-18(24,11-22)5-7-23/h1-3,8-10,24H,4-7,11,22H2
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n/an/a 794n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM376889
PNG
(4-(aminomethyl)-1-[3,4-difluoro-5-(3-fluorophenoxy...)
Show SMILES NCC1(O)CCN(CC1)c1cc(F)c(F)c(Oc2cccc(F)c2)c1
Show InChI InChI=1S/C18H19F3N2O2/c19-12-2-1-3-14(8-12)25-16-10-13(9-15(20)17(16)21)23-6-4-18(24,11-22)5-7-23/h1-3,8-10,24H,4-7,11,22H2
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n/an/a 794n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM376879
PNG
(4-[(tert-butylamino)methyl]-1-[4-(3-fluorophenoxy)...)
Show SMILES CC(C)(C)NCC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C21H26F4N4O2/c1-19(2,3)26-13-20(30)7-9-29(10-8-20)18-27-16(21(23,24)25)12-17(28-18)31-15-6-4-5-14(22)11-15/h4-6,11-12,26,30H,7-10,13H2,1-3H3
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n/an/a 955n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM376886
PNG
(4-(aminomethyl)-1-(2-fluoro-3-phenoxyphenyl)piperi...)
Show SMILES NCC1(O)CCN(CC1)c1cccc(Oc2ccccc2)c1F
Show InChI InChI=1S/C18H21FN2O2/c19-17-15(21-11-9-18(22,13-20)10-12-21)7-4-8-16(17)23-14-5-2-1-3-6-14/h1-8,22H,9-13,20H2
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n/an/a 977n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM376905
PNG
(4-(3-fluorophenoxy)-2-{3H,4H,5H,6H,7H-imidazo[4,5-...)
Show SMILES Fc1cccc(Oc2cc(nc(n2)N2CCc3nc[nH]c3C2)C(F)(F)F)c1
Show InChI InChI=1S/C17H13F4N5O/c18-10-2-1-3-11(6-10)27-15-7-14(17(19,20)21)24-16(25-15)26-5-4-12-13(8-26)23-9-22-12/h1-3,6-7,9H,4-5,8H2,(H,22,23)
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n/an/a 977n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM376873
PNG
(4-[(cyclopropylamino)methyl]-1-[4-(3-fluorophenoxy...)
Show SMILES OC1(CNC2CC2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C20H22F4N4O2/c21-13-2-1-3-15(10-13)30-17-11-16(20(22,23)24)26-18(27-17)28-8-6-19(29,7-9-28)12-25-14-4-5-14/h1-3,10-11,14,25,29H,4-9,12H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM376888
PNG
(4-(aminomethyl)-1-[2,3-difluoro-5-(3-fluorophenoxy...)
Show SMILES NCC1(O)CCN(CC1)c1cc(Oc2cccc(F)c2)cc(F)c1F
Show InChI InChI=1S/C18H19F3N2O2/c19-12-2-1-3-13(8-12)25-14-9-15(20)17(21)16(10-14)23-6-4-18(24,11-22)5-7-23/h1-3,8-10,24H,4-7,11,22H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM376898
PNG
(N-({1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyri...)
Show SMILES OC1(CNC(=O)c2cnccn2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C22H20F4N6O3/c23-14-2-1-3-15(10-14)35-18-11-17(22(24,25)26)30-20(31-18)32-8-4-21(34,5-9-32)13-29-19(33)16-12-27-6-7-28-16/h1-3,6-7,10-12,34H,4-5,8-9,13H2,(H,29,33)
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n/an/a 1.10E+3n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM376876
PNG
(4-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-[4-(3-fl...)
Show SMILES OC1(CN2CCC(F)(F)C2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C21H22F6N4O2/c22-14-2-1-3-15(10-14)33-17-11-16(21(25,26)27)28-18(29-17)31-8-4-19(32,5-9-31)12-30-7-6-20(23,24)13-30/h1-3,10-11,32H,4-9,12-13H2
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n/an/a 1.15E+3n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM376886
PNG
(4-(aminomethyl)-1-(2-fluoro-3-phenoxyphenyl)piperi...)
Show SMILES NCC1(O)CCN(CC1)c1cccc(Oc2ccccc2)c1F
Show InChI InChI=1S/C18H21FN2O2/c19-17-15(21-11-9-18(22,13-20)10-12-21)7-4-8-16(17)23-14-5-2-1-3-6-14/h1-8,22H,9-13,20H2
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n/an/a 1.45E+3n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM376902
PNG
(3-(aminomethyl)-1-[4-(3-fluorophenoxy)-6-(trifluor...)
Show SMILES NCC1(O)CCN(C1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1/C16H16F4N4O2/c17-10-2-1-3-11(6-10)26-13-7-12(16(18,19)20)22-14(23-13)24-5-4-15(25,8-21)9-24/h1-3,6-7,25H,4-5,8-9,21H2
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n/an/a 1.59E+3n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM376877
PNG
(4-(1,4-diazepan-1-ylmethyl)-1-[4-(3-fluorophenoxy)...)
Show SMILES OC1(CN2CCCNCC2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C22H27F4N5O2/c23-16-3-1-4-17(13-16)33-19-14-18(22(24,25)26)28-20(29-19)31-10-5-21(32,6-11-31)15-30-9-2-7-27-8-12-30/h1,3-4,13-14,27,32H,2,5-12,15H2
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n/an/a 1.59E+3n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM376881
PNG
(4-(aminomethyl)-1-[4-(3-fluorophenoxy)-6-(trifluor...)
Show SMILES NCC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C17H18F4N4O2/c18-11-2-1-3-12(8-11)27-14-9-13(17(19,20)21)23-15(24-14)25-6-4-16(26,10-22)5-7-25/h1-3,8-9,26H,4-7,10,22H2
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n/an/a 1.59E+3n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM376899
PNG
(2-amino-N-({1-[4-(3-fluorophenoxy)-6-(trifluoromet...)
Show SMILES NCC(=O)NCC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C19H21F4N5O3/c20-12-2-1-3-13(8-12)31-16-9-14(19(21,22)23)26-17(27-16)28-6-4-18(30,5-7-28)11-25-15(29)10-24/h1-3,8-9,30H,4-7,10-11,24H2,(H,25,29)
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n/an/a 1.70E+3n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM376892
PNG
(2-cyclopropyl-N-({1-[4-(3-fluorophenoxy)-6-(triflu...)
Show SMILES OC1(CNC(=O)CC2CC2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C22H24F4N4O3/c23-15-2-1-3-16(11-15)33-19-12-17(22(24,25)26)28-20(29-19)30-8-6-21(32,7-9-30)13-27-18(31)10-14-4-5-14/h1-3,11-12,14,32H,4-10,13H2,(H,27,31)
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n/an/a 1.74E+3n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM376895
PNG
(N-({1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyri...)
Show SMILES OC1(CNC(=O)C2CNC2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C21H23F4N5O3/c22-14-2-1-3-15(8-14)33-17-9-16(21(23,24)25)28-19(29-17)30-6-4-20(32,5-7-30)12-27-18(31)13-10-26-11-13/h1-3,8-9,13,26,32H,4-7,10-12H2,(H,27,31)
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n/an/a 2.00E+3n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM376875
PNG
(1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidi...)
Show SMILES CNCC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C18H20F4N4O2/c1-23-11-17(27)5-7-26(8-6-17)16-24-14(18(20,21)22)10-15(25-16)28-13-4-2-3-12(19)9-13/h2-4,9-10,23,27H,5-8,11H2,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM376901
PNG
((3S or 3R)-3-[(cyclopropylamino)methyl]-1-[4-(3-fl...)
Show SMILES O[C@]1(CNC2CC2)CCN(C1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1/C19H20F4N4O2/c20-12-2-1-3-14(8-12)29-16-9-15(19(21,22)23)25-17(26-16)27-7-6-18(28,11-27)10-24-13-4-5-13/h1-3,8-9,13,24,28H,4-7,10-11H2/t18-/s2
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n/an/a 2.00E+3n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM376887
PNG
(4-(aminomethyl)-1-[2-fluoro-3-(3-fluorophenoxy)phe...)
Show SMILES NCC1(O)CCN(CC1)c1cccc(Oc2cccc(F)c2)c1F
Show InChI InChI=1S/C18H20F2N2O2/c19-13-3-1-4-14(11-13)24-16-6-2-5-15(17(16)20)22-9-7-18(23,12-21)8-10-22/h1-6,11,23H,7-10,12,21H2
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n/an/a 2.09E+3n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM376897
PNG
(N-({1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyri...)
Show SMILES OC1(CNC(=O)c2cn[nH]c2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C21H20F4N6O3/c22-14-2-1-3-15(8-14)34-17-9-16(21(23,24)25)29-19(30-17)31-6-4-20(33,5-7-31)12-26-18(32)13-10-27-28-11-13/h1-3,8-11,33H,4-7,12H2,(H,26,32)(H,27,28)
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n/an/a 2.24E+3n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM376905
PNG
(4-(3-fluorophenoxy)-2-{3H,4H,5H,6H,7H-imidazo[4,5-...)
Show SMILES Fc1cccc(Oc2cc(nc(n2)N2CCc3nc[nH]c3C2)C(F)(F)F)c1
Show InChI InChI=1S/C17H13F4N5O/c18-10-2-1-3-11(6-10)27-15-7-14(17(19,20)21)24-16(25-15)26-5-4-12-13(8-26)23-9-22-12/h1-3,6-7,9H,4-5,8H2,(H,22,23)
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n/an/a 2.51E+3n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM376893
PNG
(N-({1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyri...)
Show SMILES CC(C)OCC(=O)NCC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C22H26F4N4O4/c1-14(2)33-12-18(31)27-13-21(32)6-8-30(9-7-21)20-28-17(22(24,25)26)11-19(29-20)34-16-5-3-4-15(23)10-16/h3-5,10-11,14,32H,6-9,12-13H2,1-2H3,(H,27,31)
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n/an/a 2.82E+3n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM376877
PNG
(4-(1,4-diazepan-1-ylmethyl)-1-[4-(3-fluorophenoxy)...)
Show SMILES OC1(CN2CCCNCC2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C22H27F4N5O2/c23-16-3-1-4-17(13-16)33-19-14-18(22(24,25)26)28-20(29-19)31-10-5-21(32,6-11-31)15-30-9-2-7-27-8-12-30/h1,3-4,13-14,27,32H,2,5-12,15H2
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n/an/a 2.95E+3n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM376906
PNG
(6-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidi...)
Show SMILES Fc1cccc(Oc2cc(nc(n2)N2CCC3NCCCC3C2)C(F)(F)F)c1
Show InChI InChI=1/C19H20F4N4O/c20-13-4-1-5-14(9-13)28-17-10-16(19(21,22)23)25-18(26-17)27-8-6-15-12(11-27)3-2-7-24-15/h1,4-5,9-10,12,15,24H,2-3,6-8,11H2
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n/an/a 3.02E+3n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM376898
PNG
(N-({1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyri...)
Show SMILES OC1(CNC(=O)c2cnccn2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C22H20F4N6O3/c23-14-2-1-3-15(10-14)35-18-11-17(22(24,25)26)30-20(31-18)32-8-4-21(34,5-9-32)13-29-19(33)16-12-27-6-7-28-16/h1-3,6-7,10-12,34H,4-5,8-9,13H2,(H,29,33)
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n/an/a 3.16E+3n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM376896
PNG
(N-({1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyri...)
Show SMILES OC1(CNC(=O)c2ccccc2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C24H22F4N4O3/c25-17-7-4-8-18(13-17)35-20-14-19(24(26,27)28)30-22(31-20)32-11-9-23(34,10-12-32)15-29-21(33)16-5-2-1-3-6-16/h1-8,13-14,34H,9-12,15H2,(H,29,33)
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n/an/a 3.16E+3n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM376899
PNG
(2-amino-N-({1-[4-(3-fluorophenoxy)-6-(trifluoromet...)
Show SMILES NCC(=O)NCC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C19H21F4N5O3/c20-12-2-1-3-13(8-12)31-16-9-14(19(21,22)23)26-17(27-16)28-6-4-18(30,5-7-28)11-25-15(29)10-24/h1-3,8-9,30H,4-7,10-11,24H2,(H,25,29)
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n/an/a 3.98E+3n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM376883
PNG
(US9920053, Example 13 | {4-fluoro-1-[4-(3-fluoroph...)
Show SMILES NCC1(F)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C17H17F5N4O/c18-11-2-1-3-12(8-11)27-14-9-13(17(20,21)22)24-15(25-14)26-6-4-16(19,10-23)5-7-26/h1-3,8-9H,4-7,10,23H2
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n/an/a 3.98E+3n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM376880
PNG
(1-({1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyri...)
Show SMILES OC1(CN2CCCC2=O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C21H22F4N4O3/c22-14-3-1-4-15(11-14)32-17-12-16(21(23,24)25)26-19(27-17)28-9-6-20(31,7-10-28)13-29-8-2-5-18(29)30/h1,3-4,11-12,31H,2,5-10,13H2
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n/an/a 4.68E+3n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM376897
PNG
(N-({1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyri...)
Show SMILES OC1(CNC(=O)c2cn[nH]c2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C21H20F4N6O3/c22-14-2-1-3-15(8-14)34-17-9-16(21(23,24)25)29-19(30-17)31-6-4-20(33,5-7-31)12-26-18(32)13-10-27-28-11-13/h1-3,8-11,33H,4-7,12H2,(H,26,32)(H,27,28)
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n/an/a 5.01E+3n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM376890
PNG
(US9920053, Example 20 | {4-amino-1-[4-(3-fluorophe...)
Show SMILES NC1(CO)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C17H18F4N4O2/c18-11-2-1-3-12(8-11)27-14-9-13(17(19,20)21)23-15(24-14)25-6-4-16(22,10-26)5-7-25/h1-3,8-9,26H,4-7,10,22H2
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n/an/a 5.13E+3n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM376878
PNG
(4-[(2,5-dimethylpyrrolidin-1-yl)methyl]-1-[4-(3-fl...)
Show SMILES CC1CCC(C)N1CC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1/C23H28F4N4O2/c1-15-6-7-16(2)31(15)14-22(32)8-10-30(11-9-22)21-28-19(23(25,26)27)13-20(29-21)33-18-5-3-4-17(24)12-18/h3-5,12-13,15-16,32H,6-11,14H2,1-2H3
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n/an/a 6.03E+3n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM376888
PNG
(4-(aminomethyl)-1-[2,3-difluoro-5-(3-fluorophenoxy...)
Show SMILES NCC1(O)CCN(CC1)c1cc(Oc2cccc(F)c2)cc(F)c1F
Show InChI InChI=1S/C18H19F3N2O2/c19-12-2-1-3-13(8-12)25-14-9-15(20)17(21)16(10-14)23-6-4-18(24,11-22)5-7-23/h1-3,8-10,24H,4-7,11,22H2
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n/an/a 6.17E+3n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM376883
PNG
(US9920053, Example 13 | {4-fluoro-1-[4-(3-fluoroph...)
Show SMILES NCC1(F)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C17H17F5N4O/c18-11-2-1-3-12(8-11)27-14-9-13(17(20,21)22)24-15(25-14)26-6-4-16(19,10-23)5-7-26/h1-3,8-9H,4-7,10,23H2
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n/an/a 7.24E+3n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM376881
PNG
(4-(aminomethyl)-1-[4-(3-fluorophenoxy)-6-(trifluor...)
Show SMILES NCC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C17H18F4N4O2/c18-11-2-1-3-12(8-11)27-14-9-13(17(19,20)21)23-15(24-14)25-6-4-16(26,10-22)5-7-25/h1-3,8-9,26H,4-7,10,22H2
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n/an/a 7.59E+3n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM376881
PNG
(4-(aminomethyl)-1-[4-(3-fluorophenoxy)-6-(trifluor...)
Show SMILES NCC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C17H18F4N4O2/c18-11-2-1-3-12(8-11)27-14-9-13(17(19,20)21)23-15(24-14)25-6-4-16(26,10-22)5-7-25/h1-3,8-9,26H,4-7,10,22H2
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n/an/a 8.71E+3n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM376894
PNG
(N-({1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyri...)
Show SMILES CC(=O)NCC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C19H20F4N4O3/c1-12(28)24-11-18(29)5-7-27(8-6-18)17-25-15(19(21,22)23)10-16(26-17)30-14-4-2-3-13(20)9-14/h2-4,9-10,29H,5-8,11H2,1H3,(H,24,28)
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n/an/a 9.12E+3n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM376876
PNG
(4-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-[4-(3-fl...)
Show SMILES OC1(CN2CCC(F)(F)C2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C21H22F6N4O2/c22-14-2-1-3-15(10-14)33-17-11-16(21(25,26)27)28-18(29-17)31-8-4-19(32,5-9-31)12-30-7-6-20(23,24)13-30/h1-3,10-11,32H,4-9,12-13H2
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n/an/a<1.00E+4n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM376891
PNG
(N-({1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyri...)
Show SMILES CC(C)C(=O)NCC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C21H24F4N4O3/c1-13(2)18(30)26-12-20(31)6-8-29(9-7-20)19-27-16(21(23,24)25)11-17(28-19)32-15-5-3-4-14(22)10-15/h3-5,10-11,13,31H,6-9,12H2,1-2H3,(H,26,30)
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n/an/a<1.00E+4n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM376895
PNG
(N-({1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyri...)
Show SMILES OC1(CNC(=O)C2CNC2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C21H23F4N5O3/c22-14-2-1-3-15(8-14)33-17-9-16(21(23,24)25)28-19(29-17)30-6-4-20(32,5-7-30)12-27-18(31)13-10-26-11-13/h1-3,8-9,13,26,32H,4-7,10-12H2,(H,27,31)
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n/an/a<1.00E+4n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM376879
PNG
(4-[(tert-butylamino)methyl]-1-[4-(3-fluorophenoxy)...)
Show SMILES CC(C)(C)NCC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C21H26F4N4O2/c1-19(2,3)26-13-20(30)7-9-29(10-8-20)18-27-16(21(23,24)25)12-17(28-18)31-15-6-4-5-14(22)11-15/h4-6,11-12,26,30H,7-10,13H2,1-3H3
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n/an/a 1.12E+4n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM376871
PNG
(4-[(dimethylamino)methyl]-1-[4-(3-fluorophenoxy)-6...)
Show SMILES CN(C)CC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C19H22F4N4O2/c1-26(2)12-18(28)6-8-27(9-7-18)17-24-15(19(21,22)23)11-16(25-17)29-14-5-3-4-13(20)10-14/h3-5,10-11,28H,6-9,12H2,1-2H3
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n/an/a 1.35E+4n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM376872
PNG
(1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidi...)
Show SMILES OC1(CN2CCCC2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C21H24F4N4O2/c22-15-4-3-5-16(12-15)31-18-13-17(21(23,24)25)26-19(27-18)29-10-6-20(30,7-11-29)14-28-8-1-2-9-28/h3-5,12-13,30H,1-2,6-11,14H2
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n/an/a 1.70E+4n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM376891
PNG
(N-({1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyri...)
Show SMILES CC(C)C(=O)NCC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C21H24F4N4O3/c1-13(2)18(30)26-12-20(31)6-8-29(9-7-20)19-27-16(21(23,24)25)11-17(28-19)32-15-5-3-4-14(22)10-15/h3-5,10-11,13,31H,6-9,12H2,1-2H3,(H,26,30)
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n/an/a 1.78E+4n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM376903
PNG
(N-({1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyri...)
Show SMILES CC(C)C(=O)NCC1(O)CCN(C1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1/C20H22F4N4O3/c1-12(2)17(29)25-10-19(30)6-7-28(11-19)18-26-15(20(22,23)24)9-16(27-18)31-14-5-3-4-13(21)8-14/h3-5,8-9,12,30H,6-7,10-11H2,1-2H3,(H,25,29)
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n/an/a 1.91E+4n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM376902
PNG
(3-(aminomethyl)-1-[4-(3-fluorophenoxy)-6-(trifluor...)
Show SMILES NCC1(O)CCN(C1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1/C16H16F4N4O2/c17-10-2-1-3-11(6-10)26-13-7-12(16(18,19)20)22-14(23-13)24-5-4-15(25,8-21)9-24/h1-3,6-7,25H,4-5,8-9,21H2
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n/an/a 1.91E+4n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM376899
PNG
(2-amino-N-({1-[4-(3-fluorophenoxy)-6-(trifluoromet...)
Show SMILES NCC(=O)NCC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C19H21F4N5O3/c20-12-2-1-3-13(8-12)31-16-9-14(19(21,22)23)26-17(27-16)28-6-4-18(30,5-7-28)11-25-15(29)10-24/h1-3,8-9,30H,4-7,10-11,24H2,(H,25,29)
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CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM376873
PNG
(4-[(cyclopropylamino)methyl]-1-[4-(3-fluorophenoxy...)
Show SMILES OC1(CNC2CC2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C20H22F4N4O2/c21-13-2-1-3-15(10-13)30-17-11-16(20(22,23)24)26-18(27-17)28-8-6-19(29,7-9-28)12-25-14-4-5-14/h1-3,10-11,14,25,29H,4-9,12H2
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n/an/a 2.14E+4n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM376875
PNG
(1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidi...)
Show SMILES CNCC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C18H20F4N4O2/c1-23-11-17(27)5-7-26(8-6-17)16-24-14(18(20,21)22)10-15(25-16)28-13-4-2-3-12(19)9-13/h2-4,9-10,23,27H,5-8,11H2,1H3
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n/an/a 2.34E+4n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM376876
PNG
(4-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-[4-(3-fl...)
Show SMILES OC1(CN2CCC(F)(F)C2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C21H22F6N4O2/c22-14-2-1-3-15(10-14)33-17-11-16(21(25,26)27)28-18(29-17)31-8-4-19(32,5-9-31)12-30-7-6-20(23,24)13-30/h1-3,10-11,32H,4-9,12-13H2
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n/an/a 3.24E+4n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM376904
PNG
(N-({1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyri...)
Show SMILES OC1(CNC(=O)C2CNC2)CCN(C1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1/C20H21F4N5O3/c21-13-2-1-3-14(6-13)32-16-7-15(20(22,23)24)27-18(28-16)29-5-4-19(31,11-29)10-26-17(30)12-8-25-9-12/h1-3,6-7,12,25,31H,4-5,8-11H2,(H,26,30)
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n/an/a 3.31E+4n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM376900
PNG
(3-[(cyclopropylamino)methyl]-1-[4-(3-fluorophenoxy...)
Show SMILES OC1(CNC2CC2)CCN(C1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1/C19H20F4N4O2/c20-12-2-1-3-14(8-12)29-16-9-15(19(21,22)23)25-17(26-16)27-7-6-18(28,11-27)10-24-13-4-5-13/h1-3,8-9,13,24,28H,4-7,10-11H2
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n/an/a 3.47E+4n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM376897
PNG
(N-({1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyri...)
Show SMILES OC1(CNC(=O)c2cn[nH]c2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C21H20F4N6O3/c22-14-2-1-3-15(8-14)34-17-9-16(21(23,24)25)29-19(30-17)31-6-4-20(33,5-7-31)12-26-18(32)13-10-27-28-11-13/h1-3,8-11,33H,4-7,12H2,(H,26,32)(H,27,28)
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n/an/a 3.47E+4n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM376901
PNG
((3S or 3R)-3-[(cyclopropylamino)methyl]-1-[4-(3-fl...)
Show SMILES O[C@]1(CNC2CC2)CCN(C1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1/C19H20F4N4O2/c20-12-2-1-3-14(8-12)29-16-9-15(19(21,22)23)25-17(26-16)27-7-6-18(28,11-27)10-24-13-4-5-13/h1-3,8-9,13,24,28H,4-7,10-11H2/t18-/s2
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CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM376895
PNG
(N-({1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyri...)
Show SMILES OC1(CNC(=O)C2CNC2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C21H23F4N5O3/c22-14-2-1-3-15(8-14)33-17-9-16(21(23,24)25)28-19(29-17)30-6-4-20(32,5-7-30)12-27-18(31)13-10-26-11-13/h1-3,8-9,13,26,32H,4-7,10-12H2,(H,27,31)
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n/an/a 3.55E+4n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM376896
PNG
(N-({1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyri...)
Show SMILES OC1(CNC(=O)c2ccccc2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C24H22F4N4O3/c25-17-7-4-8-18(13-17)35-20-14-19(24(26,27)28)30-22(31-20)32-11-9-23(34,10-12-32)15-29-21(33)16-5-2-1-3-6-16/h1-8,13-14,34H,9-12,15H2,(H,29,33)
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CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM376893
PNG
(N-({1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyri...)
Show SMILES CC(C)OCC(=O)NCC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C22H26F4N4O4/c1-14(2)33-12-18(31)27-13-21(32)6-8-30(9-7-21)20-28-17(22(24,25)26)11-19(29-20)34-16-5-3-4-15(23)10-16/h3-5,10-11,14,32H,6-9,12-13H2,1-2H3,(H,27,31)
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CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM376903
PNG
(N-({1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyri...)
Show SMILES CC(C)C(=O)NCC1(O)CCN(C1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1/C20H22F4N4O3/c1-12(2)17(29)25-10-19(30)6-7-28(11-19)18-26-15(20(22,23)24)9-16(27-18)31-14-5-3-4-13(21)8-14/h3-5,8-9,12,30H,6-7,10-11H2,1-2H3,(H,25,29)
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CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM376898
PNG
(N-({1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyri...)
Show SMILES OC1(CNC(=O)c2cnccn2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C22H20F4N6O3/c23-14-2-1-3-15(10-14)35-18-11-17(22(24,25)26)30-20(31-18)32-8-4-21(34,5-9-32)13-29-19(33)16-12-27-6-7-28-16/h1-3,6-7,10-12,34H,4-5,8-9,13H2,(H,29,33)
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CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM376891
PNG
(N-({1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyri...)
Show SMILES CC(C)C(=O)NCC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C21H24F4N4O3/c1-13(2)18(30)26-12-20(31)6-8-29(9-7-20)19-27-16(21(23,24)25)11-17(28-19)32-15-5-3-4-14(22)10-15/h3-5,10-11,13,31H,6-9,12H2,1-2H3,(H,26,30)
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CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM376892
PNG
(2-cyclopropyl-N-({1-[4-(3-fluorophenoxy)-6-(triflu...)
Show SMILES OC1(CNC(=O)CC2CC2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C22H24F4N4O3/c23-15-2-1-3-16(11-15)33-19-12-17(22(24,25)26)28-20(29-19)30-8-6-21(32,7-9-30)13-27-18(31)10-14-4-5-14/h1-3,11-12,14,32H,4-10,13H2,(H,27,31)
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CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM376874
PNG
(4-{[cyclopropyl(methyl)amino]methyl}-1-[4-(3-fluor...)
Show SMILES CN(CC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C21H24F4N4O2/c1-28(15-5-6-15)13-20(30)7-9-29(10-8-20)19-26-17(21(23,24)25)12-18(27-19)31-16-4-2-3-14(22)11-16/h2-4,11-12,15,30H,5-10,13H2,1H3
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+5n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM376905
PNG
(4-(3-fluorophenoxy)-2-{3H,4H,5H,6H,7H-imidazo[4,5-...)
Show SMILES Fc1cccc(Oc2cc(nc(n2)N2CCc3nc[nH]c3C2)C(F)(F)F)c1
Show InChI InChI=1S/C17H13F4N5O/c18-10-2-1-3-11(6-10)27-15-7-14(17(19,20)21)24-16(25-15)26-5-4-12-13(8-26)23-9-22-12/h1-3,6-7,9H,4-5,8H2,(H,22,23)
PDB

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n/an/a<1.00E+5n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM376880
PNG
(1-({1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyri...)
Show SMILES OC1(CN2CCCC2=O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C21H22F4N4O3/c22-14-3-1-4-15(11-14)32-17-12-16(21(23,24)25)26-19(27-17)28-9-6-20(31,7-10-28)13-29-8-2-5-18(29)30/h1,3-4,11-12,31H,2,5-10,13H2
PDB

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n/an/a<1.00E+5n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM376896
PNG
(N-({1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyri...)
Show SMILES OC1(CNC(=O)c2ccccc2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C24H22F4N4O3/c25-17-7-4-8-18(13-17)35-20-14-19(24(26,27)28)30-22(31-20)32-11-9-23(34,10-12-32)15-29-21(33)16-5-2-1-3-6-16/h1-8,13-14,34H,9-12,15H2,(H,29,33)
PDB

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n/an/a<1.00E+5n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM376894
PNG
(N-({1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyri...)
Show SMILES CC(=O)NCC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C19H20F4N4O3/c1-12(28)24-11-18(29)5-7-27(8-6-18)17-25-15(19(21,22)23)10-16(26-17)30-14-4-2-3-13(20)9-14/h2-4,9-10,29H,5-8,11H2,1H3,(H,24,28)
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+5n/an/an/an/an/an/a



CHRONOS THERAPEUTICS LIMITED

US Patent


Assay Description
The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...


US Patent US9920053 (2018)

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