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Patent code US9908897

Compile Data Set for Download or QSAR

Found 306 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))
BDBM375641
PNG
(US9908897, Example 21)
Show SMILES Fc1cccc(Oc2cc(F)cc(N3CCC4(CC3)CNCCO4)c2F)c1
Show InChI InChI=1S/C20H21F3N2O2/c21-14-2-1-3-16(10-14)27-18-12-15(22)11-17(19(18)23)25-7-4-20(5-8-25)13-24-6-9-26-20/h1-3,10-12,24H,4-9,13H2
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US Patent
n/an/a 0.776n/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 US9908897 (2018)

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


(Homo sapiens (Human))
BDBM375697
PNG
(US9908897, Example 75)
Show SMILES Fc1cccc(Oc2cc(nc(n2)N2CCC3(CC2)CNCCN3)C(F)(F)F)c1
Show InChI InChI=1S/C19H21F4N5O/c20-13-2-1-3-14(10-13)29-16-11-15(19(21,22)23)26-17(27-16)28-8-4-18(5-9-28)12-24-6-7-25-18/h1-3,10-11,24-25H,4-9,12H2
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n/an/a 1.32n/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 US9908897 (2018)

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


(Homo sapiens (Human))
BDBM375651
PNG
(US9908897, Example 37)
Show SMILES Fc1cccc(Oc2cc(cc(n2)N2CCC3(CC2)CNCCO3)C(F)(F)F)c1
Show InChI InChI=1S/C20H21F4N3O2/c21-15-2-1-3-16(12-15)29-18-11-14(20(22,23)24)10-17(26-18)27-7-4-19(5-8-27)13-25-6-9-28-19/h1-3,10-12,25H,4-9,13H2
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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 US9908897 (2018)

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


(Homo sapiens (Human))
BDBM375716
PNG
(US9908897, Example 92)
Show SMILES Fc1cccc(Oc2cc(F)cc(c2)N2CCC3(CCNC3)CC2)c1
Show InChI InChI=1S/C20H22F2N2O/c21-15-2-1-3-18(11-15)25-19-12-16(22)10-17(13-19)24-8-5-20(6-9-24)4-7-23-14-20/h1-3,10-13,23H,4-9,14H2
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n/an/a 1.45n/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 US9908897 (2018)

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


(Homo sapiens (Human))
BDBM375686
PNG
(US9908897, Example 65)
Show SMILES Fc1cccc(Oc2cc(nc(n2)N2CCC3(CC2)CNCCO3)C2CC2)c1
Show InChI InChI=1S/C21H25FN4O2/c22-16-2-1-3-17(12-16)28-19-13-18(15-4-5-15)24-20(25-19)26-9-6-21(7-10-26)14-23-8-11-27-21/h1-3,12-13,15,23H,4-11,14H2
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n/an/a 1.62n/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 US9908897 (2018)

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


(Homo sapiens (Human))
BDBM375717
PNG
(US9908897, Example 93 | US9908897, Example 94)
Show SMILES Fc1cccc(Oc2cc(F)c(F)cc2N2CCC3(C2)CCNCC32OCCO2)c1
Show InChI InChI=1/C22H23F3N2O3/c23-15-2-1-3-16(10-15)30-20-12-18(25)17(24)11-19(20)27-7-5-21(14-27)4-6-26-13-22(21)28-8-9-29-22/h1-3,10-12,26H,4-9,13-14H2
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n/an/a 2.04n/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 US9908897 (2018)

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


(Homo sapiens (Human))
BDBM375709
PNG
(US9908897, Example 87)
Show SMILES Fc1cccc(Oc2cc(nc(n2)N2CCC3(C2)CNCCC32OCCO2)C(F)(F)F)c1
Show InChI InChI=1/C21H22F4N4O3/c22-14-2-1-3-15(10-14)32-17-11-16(21(23,24)25)27-18(28-17)29-7-5-19(13-29)12-26-6-4-20(19)30-8-9-31-20/h1-3,10-11,26H,4-9,12-13H2
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n/an/a 2.14n/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 US9908897 (2018)

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


(Homo sapiens (Human))
BDBM375644
PNG
(US9908897, Example 25)
Show SMILES N#Cc1cc(Oc2ccccc2)cc(c1)N1CCC2(CC1)CNCCO2
Show InChI InChI=1S/C21H23N3O2/c22-15-17-12-18(14-20(13-17)26-19-4-2-1-3-5-19)24-9-6-21(7-10-24)16-23-8-11-25-21/h1-5,12-14,23H,6-11,16H2
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n/an/a 2.19n/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 US9908897 (2018)

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


(Homo sapiens (Human))
BDBM375640
PNG
(US9908897, Example 19)
Show SMILES Fc1cccc(Oc2cccc(N3CCC4(CC3)CNCCO4)c2F)c1
Show InChI InChI=1S/C20H22F2N2O2/c21-15-3-1-4-16(13-15)26-18-6-2-5-17(19(18)22)24-10-7-20(8-11-24)14-23-9-12-25-20/h1-6,13,23H,7-12,14H2
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n/an/a 2.29n/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 US9908897 (2018)

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


(Homo sapiens (Human))
BDBM375652
PNG
(US9908897, Example 38)
Show SMILES Fc1cccc(Oc2cc(cc(n2)N2CCC3(CC2)CNCCO3)C#N)c1
Show InChI InChI=1S/C20H21FN4O2/c21-16-2-1-3-17(12-16)27-19-11-15(13-22)10-18(24-19)25-7-4-20(5-8-25)14-23-6-9-26-20/h1-3,10-12,23H,4-9,14H2
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n/an/a 2.45n/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 US9908897 (2018)

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


(Homo sapiens (Human))
BDBM375722
PNG
(US9908897, Example 98)
Show SMILES O[C@H]1CNCCC11CCN(C1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1/C19H20F4N4O2/c20-12-2-1-3-13(8-12)29-16-9-14(19(21,22)23)25-17(26-16)27-7-5-18(11-27)4-6-24-10-15(18)28/h1-3,8-9,15,24,28H,4-7,10-11H2/t15-,18?/s2
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n/an/a 2.57n/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 US9908897 (2018)

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


(Homo sapiens (Human))
BDBM375649
PNG
(US9908897, Example 35)
Show SMILES Cc1c(Oc2cccc(F)c2)cc(cc1C#N)N1CCC2(CC1)CNCCO2
Show InChI InChI=1S/C22H24FN3O2/c1-16-17(14-24)11-19(13-21(16)28-20-4-2-3-18(23)12-20)26-8-5-22(6-9-26)15-25-7-10-27-22/h2-4,11-13,25H,5-10,15H2,1H3
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n/an/a 3.55n/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 US9908897 (2018)

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


(Homo sapiens (Human))
BDBM375717
PNG
(US9908897, Example 93 | US9908897, Example 94)
Show SMILES Fc1cccc(Oc2cc(F)c(F)cc2N2CCC3(C2)CCNCC32OCCO2)c1
Show InChI InChI=1/C22H23F3N2O3/c23-15-2-1-3-16(10-15)30-20-12-18(25)17(24)11-19(20)27-7-5-21(14-27)4-6-26-13-22(21)28-8-9-29-22/h1-3,10-12,26H,4-9,13-14H2
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n/an/a 3.63n/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 US9908897 (2018)

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


(Homo sapiens (Human))
BDBM375639
PNG
(US9908897, Example 17)
Show SMILES Fc1c(Oc2ccccc2)cccc1N1CCC2(CC1)CNCCO2
Show InChI InChI=1S/C20H23FN2O2/c21-19-17(7-4-8-18(19)25-16-5-2-1-3-6-16)23-12-9-20(10-13-23)15-22-11-14-24-20/h1-8,22H,9-15H2
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n/an/a 3.80n/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 US9908897 (2018)

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


(Homo sapiens (Human))
BDBM375675
PNG
(US9908897, Example 56)
Show SMILES Fc1cccc(Oc2cc(nc(n2)N2CCC3(CC2)CNCCO3)C(F)(F)F)c1
Show InChI InChI=1S/C19H20F4N4O2/c20-13-2-1-3-14(10-13)29-16-11-15(19(21,22)23)25-17(26-16)27-7-4-18(5-8-27)12-24-6-9-28-18/h1-3,10-11,24H,4-9,12H2
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n/an/a 3.80n/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 US9908897 (2018)

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


(Homo sapiens (Human))
BDBM375720
PNG
(US9908897, Example 96 | US9908897, Example 97)
Show SMILES OC1CNCCC11CCN(C1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1/C19H20F4N4O2/c20-12-2-1-3-13(8-12)29-16-9-14(19(21,22)23)25-17(26-16)27-7-5-18(11-27)4-6-24-10-15(18)28/h1-3,8-9,15,24,28H,4-7,10-11H2
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n/an/a 3.89n/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 US9908897 (2018)

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


(Homo sapiens (Human))
BDBM375696
PNG
(US9908897, Example 74)
Show SMILES CN1CCNCC11CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C20H23F4N5O/c1-28-10-7-25-13-19(28)5-8-29(9-6-19)18-26-16(20(22,23)24)12-17(27-18)30-15-4-2-3-14(21)11-15/h2-4,11-12,25H,5-10,13H2,1H3
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n/an/a 4.17n/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 US9908897 (2018)

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


(Homo sapiens (Human))
BDBM375631
PNG
(US9908897, Example 8 | US9908897, Example 9)
Show SMILES Fc1cccc(Oc2cc(F)cc(c2)N2CCC3(CC2)CNCCO3)c1
Show InChI InChI=1S/C20H22F2N2O2/c21-15-2-1-3-18(11-15)26-19-12-16(22)10-17(13-19)24-7-4-20(5-8-24)14-23-6-9-25-20/h1-3,10-13,23H,4-9,14H2
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n/an/a 4.17n/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 US9908897 (2018)

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


(Homo sapiens (Human))
BDBM375636
PNG
(US9908897, Example 13)
Show SMILES Fc1cccc(Oc2cc(F)c(F)c(c2)N2CCC3(CC2)CNCCO3)c1
Show InChI InChI=1S/C20H21F3N2O2/c21-14-2-1-3-15(10-14)27-16-11-17(22)19(23)18(12-16)25-7-4-20(5-8-25)13-24-6-9-26-20/h1-3,10-12,24H,4-9,13H2
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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 US9908897 (2018)

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


(Homo sapiens (Human))
BDBM375714
PNG
(US9908897, Example 90)
Show SMILES Fc1cccc(Oc2cc(F)c(F)cc2N2CCC3(C2)CCNCC3)c1
Show InChI InChI=1S/C20H21F3N2O/c21-14-2-1-3-15(10-14)26-19-12-17(23)16(22)11-18(19)25-9-6-20(13-25)4-7-24-8-5-20/h1-3,10-12,24H,4-9,13H2
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n/an/a 4.37n/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 US9908897 (2018)

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


(Homo sapiens (Human))
BDBM375642
PNG
(US9908897, Example 23)
Show SMILES Fc1cccc(Oc2ccc(F)c(N3CCC4(CC3)CNCCO4)c2F)c1
Show InChI InChI=1S/C20H21F3N2O2/c21-14-2-1-3-15(12-14)27-17-5-4-16(22)19(18(17)23)25-9-6-20(7-10-25)13-24-8-11-26-20/h1-5,12,24H,6-11,13H2
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n/an/a 4.79n/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 US9908897 (2018)

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


(Homo sapiens (Human))
BDBM375660
PNG
(US9908897, Example 44)
Show SMILES Cc1cc(Oc2cccc(F)c2)nc(n1)N1CCC2(CC1)CNCCO2
Show InChI InChI=1S/C19H23FN4O2/c1-14-11-17(26-16-4-2-3-15(20)12-16)23-18(22-14)24-8-5-19(6-9-24)13-21-7-10-25-19/h2-4,11-12,21H,5-10,13H2,1H3
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n/an/a 5.13n/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 US9908897 (2018)

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


(Homo sapiens (Human))
BDBM375687
PNG
(US9908897, Example 66)
Show SMILES COc1cc(Oc2cccc(F)c2)nc(n1)N1CCC2(CC1)CNCCO2
Show InChI InChI=1S/C19H23FN4O3/c1-25-16-12-17(27-15-4-2-3-14(20)11-15)23-18(22-16)24-8-5-19(6-9-24)13-21-7-10-26-19/h2-4,11-12,21H,5-10,13H2,1H3
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n/an/a 5.13n/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 US9908897 (2018)

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


(Homo sapiens (Human))
BDBM375631
PNG
(US9908897, Example 8 | US9908897, Example 9)
Show SMILES Fc1cccc(Oc2cc(F)cc(c2)N2CCC3(CC2)CNCCO3)c1
Show InChI InChI=1S/C20H22F2N2O2/c21-15-2-1-3-18(11-15)26-19-12-16(22)10-17(13-19)24-7-4-20(5-8-24)14-23-6-9-25-20/h1-3,10-13,23H,4-9,14H2
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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 US9908897 (2018)

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


(Homo sapiens (Human))
BDBM375669
PNG
(US9908897, Example 50)
Show SMILES Cc1cc(Oc2cc(F)cc(F)c2)nc(n1)N1CCC2(CC1)CNCCO2
Show InChI InChI=1S/C19H22F2N4O2/c1-13-8-17(27-16-10-14(20)9-15(21)11-16)24-18(23-13)25-5-2-19(3-6-25)12-22-4-7-26-19/h8-11,22H,2-7,12H2,1H3
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n/an/a 5.75n/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 US9908897 (2018)

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


(Homo sapiens (Human))
BDBM375674
PNG
(US9908897, Example 55)
Show SMILES FC(F)(F)c1cc(Oc2ccccc2)nc(n1)N1CCC2(CC1)CNCCO2
Show InChI InChI=1S/C19H21F3N4O2/c20-19(21,22)15-12-16(28-14-4-2-1-3-5-14)25-17(24-15)26-9-6-18(7-10-26)13-23-8-11-27-18/h1-5,12,23H,6-11,13H2
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n/an/a 6.46n/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 US9908897 (2018)

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


(Homo sapiens (Human))
BDBM375649
PNG
(US9908897, Example 35)
Show SMILES Cc1c(Oc2cccc(F)c2)cc(cc1C#N)N1CCC2(CC1)CNCCO2
Show InChI InChI=1S/C22H24FN3O2/c1-16-17(14-24)11-19(13-21(16)28-20-4-2-3-18(23)12-20)26-8-5-22(6-9-26)15-25-7-10-27-22/h2-4,11-13,25H,5-10,15H2,1H3
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n/an/a 6.92n/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 US9908897 (2018)

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


(Homo sapiens (Human))
BDBM375719
PNG
(US9908897, Example 95)
Show SMILES Fc1cccc(Oc2cc(nc(n2)N2CCC3(C2)CCNCC32OCCO2)C(F)(F)F)c1
Show InChI InChI=1/C21H22F4N4O3/c22-14-2-1-3-15(10-14)32-17-11-16(21(23,24)25)27-18(28-17)29-7-5-19(13-29)4-6-26-12-20(19)30-8-9-31-20/h1-3,10-11,26H,4-9,12-13H2
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n/an/a 6.92n/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 US9908897 (2018)

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


(Homo sapiens (Human))
BDBM375710
PNG
(US9908897, Example 88)
Show SMILES Fc1cccc(Oc2cc(nc(n2)N2CCC3(C2)CNCCC3=O)C(F)(F)F)c1
Show InChI InChI=1/C19H18F4N4O2/c20-12-2-1-3-13(8-12)29-16-9-14(19(21,22)23)25-17(26-16)27-7-5-18(11-27)10-24-6-4-15(18)28/h1-3,8-9,24H,4-7,10-11H2
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n/an/a 7.08n/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 US9908897 (2018)

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


(Homo sapiens (Human))
BDBM375704
PNG
(US9908897, Example 82)
Show SMILES Fc1cccc(Oc2cc(F)c(F)cc2N2CCC3(CCNCC3)CC2)c1
Show InChI InChI=1S/C21H23F3N2O/c22-15-2-1-3-16(12-15)27-20-14-18(24)17(23)13-19(20)26-10-6-21(7-11-26)4-8-25-9-5-21/h1-3,12-14,25H,4-11H2
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n/an/a 7.24n/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 US9908897 (2018)

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


(Homo sapiens (Human))
BDBM375623
PNG
(US9908897, Example 1 | US9908897, Example 2)
Show SMILES Fc1cccc(Oc2cc(F)c(F)cc2N2CCC3(CC2)CNCCO3)c1
Show InChI InChI=1S/C20H21F3N2O2/c21-14-2-1-3-15(10-14)27-19-12-17(23)16(22)11-18(19)25-7-4-20(5-8-25)13-24-6-9-26-20/h1-3,10-12,24H,4-9,13H2
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n/an/a 7.24n/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 US9908897 (2018)

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


(Homo sapiens (Human))
BDBM375699
PNG
(US9908897, Example 77)
Show SMILES CN1CCCNCC11CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C21H25F4N5O/c1-29-9-3-8-26-14-20(29)6-10-30(11-7-20)19-27-17(21(23,24)25)13-18(28-19)31-16-5-2-4-15(22)12-16/h2,4-5,12-13,26H,3,6-11,14H2,1H3
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n/an/a 8.32n/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 US9908897 (2018)

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


(Homo sapiens (Human))
BDBM375684
PNG
(US9908897, Example 63)
Show SMILES CSc1cc(Oc2cccc(F)c2)nc(n1)N1CCC2(CC1)CNCCO2
Show InChI InChI=1S/C19H23FN4O2S/c1-27-17-12-16(26-15-4-2-3-14(20)11-15)22-18(23-17)24-8-5-19(6-9-24)13-21-7-10-25-19/h2-4,11-12,21H,5-10,13H2,1H3
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n/an/a 8.51n/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 US9908897 (2018)

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


(Homo sapiens (Human))
BDBM375662
PNG
(US9908897, Example 46)
Show SMILES Cc1cc(Oc2cccc(c2)C#N)nc(n1)N1CCC2(CC1)CNCCO2
Show InChI InChI=1S/C20H23N5O2/c1-15-11-18(27-17-4-2-3-16(12-17)13-21)24-19(23-15)25-8-5-20(6-9-25)14-22-7-10-26-20/h2-4,11-12,22H,5-10,14H2,1H3
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n/an/a 9.33n/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 US9908897 (2018)

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


(Homo sapiens (Human))
BDBM375683
PNG
(US9908897, Example 62)
Show SMILES Fc1cccc(Oc2cc(nc(n2)N2CCC3(CC2)CNCCO3)C#N)c1
Show InChI InChI=1S/C19H20FN5O2/c20-14-2-1-3-16(10-14)27-17-11-15(12-21)23-18(24-17)25-7-4-19(5-8-25)13-22-6-9-26-19/h1-3,10-11,22H,4-9,13H2
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n/an/a 9.77n/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 US9908897 (2018)

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


(Homo sapiens (Human))
BDBM375659
PNG
(US9908897, Example 43)
Show SMILES Cc1cc(Oc2ccccc2)nc(n1)N1CCC2(CC1)CNCCO2
Show InChI InChI=1S/C19H24N4O2/c1-15-13-17(25-16-5-3-2-4-6-16)22-18(21-15)23-10-7-19(8-11-23)14-20-9-12-24-19/h2-6,13,20H,7-12,14H2,1H3
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n/an/a 9.77n/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 US9908897 (2018)

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


(Homo sapiens (Human))
BDBM375680
PNG
(US9908897, Example 59)
Show SMILES FC(F)(F)c1cc(Oc2cccc(c2)C#N)nc(n1)N1CCC2(CC1)CNCCO2
Show InChI InChI=1S/C20H20F3N5O2/c21-20(22,23)16-11-17(30-15-3-1-2-14(10-15)12-24)27-18(26-16)28-7-4-19(5-8-28)13-25-6-9-29-19/h1-3,10-11,25H,4-9,13H2
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n/an/a 9.77n/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 US9908897 (2018)

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


(Homo sapiens (Human))
BDBM375715
PNG
(US9908897, Example 91)
Show SMILES Fc1cccc(Oc2cc(F)c(F)cc2N2CCC3(CCNC3)CC2)c1
Show InChI InChI=1S/C20H21F3N2O/c21-14-2-1-3-15(10-14)26-19-12-17(23)16(22)11-18(19)25-8-5-20(6-9-25)4-7-24-13-20/h1-3,10-12,24H,4-9,13H2
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n/an/a 9.77n/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 US9908897 (2018)

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


(Homo sapiens (Human))
BDBM375704
PNG
(US9908897, Example 82)
Show SMILES Fc1cccc(Oc2cc(F)c(F)cc2N2CCC3(CCNCC3)CC2)c1
Show InChI InChI=1S/C21H23F3N2O/c22-15-2-1-3-16(12-15)27-20-14-18(24)17(23)13-19(20)26-10-6-21(7-11-26)4-8-25-9-5-21/h1-3,12-14,25H,4-11H2
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n/an/a 10n/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 US9908897 (2018)

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


(Homo sapiens (Human))
BDBM375723
PNG
(US9908897, Example 102)
Show SMILES Fc1cccc(Oc2cc(nc(n2)N2CC3(C2)CNCCO3)C(F)(F)F)c1
Show InChI InChI=1S/C17H16F4N4O2/c18-11-2-1-3-12(6-11)27-14-7-13(17(19,20)21)23-15(24-14)25-9-16(10-25)8-22-4-5-26-16/h1-3,6-7,22H,4-5,8-10H2
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n/an/a 10n/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 US9908897 (2018)

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


(Homo sapiens (Human))
BDBM375623
PNG
(US9908897, Example 1 | US9908897, Example 2)
Show SMILES Fc1cccc(Oc2cc(F)c(F)cc2N2CCC3(CC2)CNCCO3)c1
Show InChI InChI=1S/C20H21F3N2O2/c21-14-2-1-3-15(10-14)27-19-12-17(23)16(22)11-18(19)25-7-4-20(5-8-25)13-24-6-9-26-20/h1-3,10-12,24H,4-9,13H2
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n/an/a 11n/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 US9908897 (2018)

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


(Homo sapiens (Human))
BDBM375720
PNG
(US9908897, Example 96 | US9908897, Example 97)
Show SMILES OC1CNCCC11CCN(C1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Show InChI InChI=1/C19H20F4N4O2/c20-12-2-1-3-13(8-12)29-16-9-14(19(21,22)23)25-17(26-16)27-7-5-18(11-27)4-6-24-10-15(18)28/h1-3,8-9,15,24,28H,4-7,10-11H2
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n/an/a 11.2n/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 US9908897 (2018)

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


(Homo sapiens (Human))
BDBM375706
PNG
(US9908897, Example 84)
Show SMILES Fc1cccc(Oc2cc(F)c(F)cc2N2CCC3(C2)CCCNC3)c1
Show InChI InChI=1/C20H21F3N2O/c21-14-3-1-4-15(9-14)26-19-11-17(23)16(22)10-18(19)25-8-6-20(13-25)5-2-7-24-12-20/h1,3-4,9-11,24H,2,5-8,12-13H2
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n/an/a 11.5n/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 US9908897 (2018)

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


(Homo sapiens (Human))
BDBM375700
PNG
(US9908897, Example 78)
Show SMILES FC(F)[F]c1cc(Oc2cccc(F)c2)nc(n1)N1CCC2(CC1)COCCN2
Show InChI InChI=1S/C19H21F4N4O2/c20-13-2-1-3-14(10-13)29-16-11-15(23-17(21)22)25-18(26-16)27-7-4-19(5-8-27)12-28-9-6-24-19/h1-3,10-11,17,24H,4-9,12H2
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n/an/a 11.5n/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 US9908897 (2018)

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


(Homo sapiens (Human))
BDBM375676
PNG
(US9908897, Example 57)
Show SMILES Fc1ccccc1Oc1cc(nc(n1)N1CCC2(CC1)CNCCO2)C(F)(F)F
Show InChI InChI=1S/C19H20F4N4O2/c20-13-3-1-2-4-14(13)29-16-11-15(19(21,22)23)25-17(26-16)27-8-5-18(6-9-27)12-24-7-10-28-18/h1-4,11,24H,5-10,12H2
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n/an/a 12.9n/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 US9908897 (2018)

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


(Homo sapiens (Human))
BDBM375701
PNG
(US9908897, Example 79)
Show SMILES Fc1cccc(Oc2cc(F)c(F)cc2N2CCC3(CCCNC3)CC2)c1
Show InChI InChI=1S/C21H23F3N2O/c22-15-3-1-4-16(11-15)27-20-13-18(24)17(23)12-19(20)26-9-6-21(7-10-26)5-2-8-25-14-21/h1,3-4,11-13,25H,2,5-10,14H2
NCI pathway
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PC cid
PC sid
UniChem
US Patent
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 US9908897 (2018)

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


(Homo sapiens (Human))
BDBM375688
PNG
(US9908897, Example 67)
Show SMILES Fc1cccc(Oc2cc(nc(n2)N2CCOC3(CCNCC3)C2)C(F)(F)F)c1
Show InChI InChI=1S/C19H20F4N4O2/c20-13-2-1-3-14(10-13)29-16-11-15(19(21,22)23)25-17(26-16)27-8-9-28-18(12-27)4-6-24-7-5-18/h1-3,10-11,24H,4-9,12H2
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UniChem
US Patent
n/an/a 15.8n/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 US9908897 (2018)

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


(Homo sapiens (Human))
BDBM375713
PNG
(US9908897, Example 89)
Show SMILES Fc1cccc(Oc2cc(nc(n2)N2CCC3(CNC(=O)O3)CC2)C(F)(F)F)c1
Show InChI InChI=1S/C18H16F4N4O3/c19-11-2-1-3-12(8-11)28-14-9-13(18(20,21)22)24-15(25-14)26-6-4-17(5-7-26)10-23-16(27)29-17/h1-3,8-9H,4-7,10H2,(H,23,27)
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US Patent
n/an/a 18.6n/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 US9908897 (2018)

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


(Homo sapiens (Human))
BDBM375627
PNG
(US9908897, Example 5)
Show SMILES N#Cc1ccc(Oc2ccccc2)c(c1)N1CCC2(CC1)CNCCO2
Show InChI InChI=1S/C21H23N3O2/c22-15-17-6-7-20(26-18-4-2-1-3-5-18)19(14-17)24-11-8-21(9-12-24)16-23-10-13-25-21/h1-7,14,23H,8-13,16H2
PDB

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UniChem
US Patent
n/an/a 23.4n/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 US9908897 (2018)

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


(Homo sapiens (Human))
BDBM375661
PNG
(US9908897, Example 45)
Show SMILES Cc1cccc(Oc2cc(C)nc(n2)N2CCC3(CC2)CNCCO3)c1
Show InChI InChI=1S/C20H26N4O2/c1-15-4-3-5-17(12-15)26-18-13-16(2)22-19(23-18)24-9-6-20(7-10-24)14-21-8-11-25-20/h3-5,12-13,21H,6-11,14H2,1-2H3
NCI pathway
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UniChem
US Patent
n/an/a 25.7n/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 US9908897 (2018)

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