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Patent code US8877798

Compile Data Set for Download or QSAR
Found 71 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 serotonin transporter


(Rattus norvegicus (rat))
BDBM138193
PNG
(US8877798, Table 3, Structure 39)
Show SMILES CN1CC2CC2(C1)c1ccc2ccccc2c1
Show InChI InChI=1S/C16H17N/c1-17-10-15-9-16(15,11-17)14-7-6-12-4-2-3-5-13(12)8-14/h2-8,15H,9-11H2,1H3
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6n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM138157
PNG
(US8877798, Table 3, Structure 3)
Show SMILES CCN1CC2C[C@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C13H15Cl2N/c1-2-16-7-10-6-13(10,8-16)9-3-4-11(14)12(15)5-9/h3-5,10H,2,6-8H2,1H3/t10?,13-/m0/s1
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13n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM138155
PNG
(US8877798, Table 3, Structure 1)
Show SMILES CN1CC2C[C@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C12H13Cl2N/c1-15-6-9-5-12(9,7-15)8-2-3-10(13)11(14)4-8/h2-4,9H,5-7H2,1H3/t9?,12-/m0/s1
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16n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM138167
PNG
(US8877798, Table 3, Structure 13)
Show SMILES CC(C)N1CC2C[C@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C14H17Cl2N/c1-9(2)17-7-11-6-14(11,8-17)10-3-4-12(15)13(16)5-10/h3-5,9,11H,6-8H2,1-2H3/t11?,14-/m0/s1
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25n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM138157
PNG
(US8877798, Table 3, Structure 3)
Show SMILES CCN1CC2C[C@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C13H15Cl2N/c1-2-16-7-10-6-13(10,8-16)9-3-4-11(14)12(15)5-9/h3-5,10H,2,6-8H2,1H3/t10?,13-/m0/s1
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32n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM138166
PNG
(US8877798, Table 3, Structure 12)
Show SMILES CC(C)N1CC2CC2(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H17Cl2N/c1-9(2)17-7-11-6-14(11,8-17)10-3-4-12(15)13(16)5-10/h3-5,9,11H,6-8H2,1-2H3
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39n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM138158
PNG
(US8877798, Table 3, Structure 4)
Show SMILES CCN1CC2C[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C13H15Cl2N/c1-2-16-7-10-6-13(10,8-16)9-3-4-11(14)12(15)5-9/h3-5,10H,2,6-8H2,1H3/t10?,13-/m1/s1
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46n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM138156
PNG
(US8877798, Table 3, Structure 2)
Show SMILES CN1CC2C[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C12H13Cl2N/c1-15-6-9-5-12(9,7-15)8-2-3-10(13)11(14)4-8/h2-4,9H,5-7H2,1H3/t9?,12-/m1/s1
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62n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM138193
PNG
(US8877798, Table 3, Structure 39)
Show SMILES CN1CC2CC2(C1)c1ccc2ccccc2c1
Show InChI InChI=1S/C16H17N/c1-17-10-15-9-16(15,11-17)14-7-6-12-4-2-3-5-13(12)8-14/h2-8,15H,9-11H2,1H3
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68n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM138168
PNG
(US8877798, Table 3, Structure 14)
Show SMILES CC(C)N1CC2C[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C14H17Cl2N/c1-9(2)17-7-11-6-14(11,8-17)10-3-4-12(15)13(16)5-10/h3-5,9,11H,6-8H2,1-2H3/t11?,14-/m1/s1
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72n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM138155
PNG
(US8877798, Table 3, Structure 1)
Show SMILES CN1CC2C[C@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C12H13Cl2N/c1-15-6-9-5-12(9,7-15)8-2-3-10(13)11(14)4-8/h2-4,9H,5-7H2,1H3/t9?,12-/m0/s1
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81n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM138157
PNG
(US8877798, Table 3, Structure 3)
Show SMILES CCN1CC2C[C@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C13H15Cl2N/c1-2-16-7-10-6-13(10,8-16)9-3-4-11(14)12(15)5-9/h3-5,10H,2,6-8H2,1H3/t10?,13-/m0/s1
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88n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM138155
PNG
(US8877798, Table 3, Structure 1)
Show SMILES CN1CC2C[C@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C12H13Cl2N/c1-15-6-9-5-12(9,7-15)8-2-3-10(13)11(14)4-8/h2-4,9H,5-7H2,1H3/t9?,12-/m0/s1
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105n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM138158
PNG
(US8877798, Table 3, Structure 4)
Show SMILES CCN1CC2C[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C13H15Cl2N/c1-2-16-7-10-6-13(10,8-16)9-3-4-11(14)12(15)5-9/h3-5,10H,2,6-8H2,1H3/t10?,13-/m1/s1
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113n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM138166
PNG
(US8877798, Table 3, Structure 12)
Show SMILES CC(C)N1CC2CC2(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H17Cl2N/c1-9(2)17-7-11-6-14(11,8-17)10-3-4-12(15)13(16)5-10/h3-5,9,11H,6-8H2,1-2H3
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124n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM138156
PNG
(US8877798, Table 3, Structure 2)
Show SMILES CN1CC2C[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C12H13Cl2N/c1-15-6-9-5-12(9,7-15)8-2-3-10(13)11(14)4-8/h2-4,9H,5-7H2,1H3/t9?,12-/m1/s1
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125n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM138168
PNG
(US8877798, Table 3, Structure 14)
Show SMILES CC(C)N1CC2C[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C14H17Cl2N/c1-9(2)17-7-11-6-14(11,8-17)10-3-4-12(15)13(16)5-10/h3-5,9,11H,6-8H2,1-2H3/t11?,14-/m1/s1
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132n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM138161
PNG
(US8877798, Table 3, Structure 7)
Show SMILES CCCN1CC2C[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C14H17Cl2N/c1-2-5-17-8-11-7-14(11,9-17)10-3-4-12(15)13(16)6-10/h3-4,6,11H,2,5,7-9H2,1H3/t11?,14-/m1/s1
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170n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM138175
PNG
(US8877798, Table 3, Structure 21)
Show SMILES CN1CC2CC2(C1)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C12H13ClFN/c1-15-6-9-5-12(9,7-15)8-2-3-11(14)10(13)4-8/h2-4,9H,5-7H2,1H3
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190n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM138164
PNG
(US8877798, Table 3, Structure 10)
Show SMILES CCCCN1CC2C[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C15H19Cl2N/c1-2-3-6-18-9-12-8-15(12,10-18)11-4-5-13(16)14(17)7-11/h4-5,7,12H,2-3,6,8-10H2,1H3/t12?,15-/m1/s1
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215n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM138160
PNG
(US8877798, Table 3, Structure 6)
Show SMILES CCCN1CC2C[C@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C14H17Cl2N/c1-2-5-17-8-11-7-14(11,9-17)10-3-4-12(15)13(16)6-10/h3-4,6,11H,2,5,7-9H2,1H3/t11?,14-/m0/s1
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220n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM138173
PNG
(US8877798, Table 3, Structure 19)
Show SMILES Fc1ccc(cc1Cl)C12CC1CNC2
Show InChI InChI=1S/C11H11ClFN/c12-9-3-7(1-2-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2
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230n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM138162
PNG
(US8877798, Table 3, Structure 8)
Show SMILES CCCCN1CC2CC2(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H19Cl2N/c1-2-3-6-18-9-12-8-15(12,10-18)11-4-5-13(16)14(17)7-11/h4-5,7,12H,2-3,6,8-10H2,1H3
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240n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM138159
PNG
(US8877798, Table 3, Structure 5)
Show SMILES CCCN1CC2CC2(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H17Cl2N/c1-2-5-17-8-11-7-14(11,9-17)10-3-4-12(15)13(16)6-10/h3-4,6,11H,2,5,7-9H2,1H3
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250n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM138184
PNG
(US8877798, Table 3, Structure 30)
Show SMILES CN1CC2CC2(C1)c1ccc(C)c(F)c1
Show InChI InChI=1S/C13H16FN/c1-9-3-4-10(5-12(9)14)13-6-11(13)7-15(2)8-13/h3-5,11H,6-8H2,1-2H3
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260n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM138184
PNG
(US8877798, Table 3, Structure 30)
Show SMILES CN1CC2CC2(C1)c1ccc(C)c(F)c1
Show InChI InChI=1S/C13H16FN/c1-9-3-4-10(5-12(9)14)13-6-11(13)7-15(2)8-13/h3-5,11H,6-8H2,1-2H3
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US Patent
270n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM138167
PNG
(US8877798, Table 3, Structure 13)
Show SMILES CC(C)N1CC2C[C@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C14H17Cl2N/c1-9(2)17-7-11-6-14(11,8-17)10-3-4-12(15)13(16)5-10/h3-5,9,11H,6-8H2,1-2H3/t11?,14-/m0/s1
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330n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM138175
PNG
(US8877798, Table 3, Structure 21)
Show SMILES CN1CC2CC2(C1)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C12H13ClFN/c1-15-6-9-5-12(9,7-15)8-2-3-11(14)10(13)4-8/h2-4,9H,5-7H2,1H3
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350n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM138163
PNG
(US8877798, Table 3, Structure 9)
Show SMILES CCCCN1CC2C[C@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C15H19Cl2N/c1-2-3-6-18-9-12-8-15(12,10-18)11-4-5-13(16)14(17)7-11/h4-5,7,12H,2-3,6,8-10H2,1H3/t12?,15-/m0/s1
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395n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM138170
PNG
(US8877798, Table 3, Structure 16)
Show SMILES CC(C)(C)N1CC2CC2(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H19Cl2N/c1-14(2,3)18-8-11-7-15(11,9-18)10-4-5-12(16)13(17)6-10/h4-6,11H,7-9H2,1-3H3
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420n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM138156
PNG
(US8877798, Table 3, Structure 2)
Show SMILES CN1CC2C[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C12H13Cl2N/c1-15-6-9-5-12(9,7-15)8-2-3-10(13)11(14)4-8/h2-4,9H,5-7H2,1H3/t9?,12-/m1/s1
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490n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM138180
PNG
(US8877798, Table 3, Structure 26)
Show SMILES CN1CC2CC2(C1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C12H13Cl2N/c1-15-6-8-5-12(8,7-15)10-3-2-9(13)4-11(10)14/h2-4,8H,5-7H2,1H3
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500n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM138167
PNG
(US8877798, Table 3, Structure 13)
Show SMILES CC(C)N1CC2C[C@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C14H17Cl2N/c1-9(2)17-7-11-6-14(11,8-17)10-3-4-12(15)13(16)5-10/h3-5,9,11H,6-8H2,1-2H3/t11?,14-/m0/s1
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510n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM138193
PNG
(US8877798, Table 3, Structure 39)
Show SMILES CN1CC2CC2(C1)c1ccc2ccccc2c1
Show InChI InChI=1S/C16H17N/c1-17-10-15-9-16(15,11-17)14-7-6-12-4-2-3-5-13(12)8-14/h2-8,15H,9-11H2,1H3
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520n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM138181
PNG
(US8877798, Table 3, Structure 27)
Show SMILES CN1CC2CC2(C1)c1ccc(F)c(C)c1
Show InChI InChI=1S/C13H16FN/c1-9-5-10(3-4-12(9)14)13-6-11(13)7-15(2)8-13/h3-5,11H,6-8H2,1-2H3
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540n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM138158
PNG
(US8877798, Table 3, Structure 4)
Show SMILES CCN1CC2C[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C13H15Cl2N/c1-2-16-7-10-6-13(10,8-16)9-3-4-11(14)12(15)5-9/h3-5,10H,2,6-8H2,1H3/t10?,13-/m1/s1
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585n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM138175
PNG
(US8877798, Table 3, Structure 21)
Show SMILES CN1CC2CC2(C1)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C12H13ClFN/c1-15-6-9-5-12(9,7-15)8-2-3-11(14)10(13)4-8/h2-4,9H,5-7H2,1H3
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640n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM138173
PNG
(US8877798, Table 3, Structure 19)
Show SMILES Fc1ccc(cc1Cl)C12CC1CNC2
Show InChI InChI=1S/C11H11ClFN/c12-9-3-7(1-2-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2
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680n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM138187
PNG
(US8877798, Table 3, Structure 33)
Show SMILES CN1CC2CC2(C1)c1ccc(c(Cl)c1)[N+]([O-])=O
Show InChI InChI=1S/C12H13ClN2O2/c1-14-6-9-5-12(9,7-14)8-2-3-11(15(16)17)10(13)4-8/h2-4,9H,5-7H2,1H3
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710n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM138170
PNG
(US8877798, Table 3, Structure 16)
Show SMILES CC(C)(C)N1CC2CC2(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H19Cl2N/c1-14(2,3)18-8-11-7-15(11,9-18)10-4-5-12(16)13(17)6-10/h4-6,11H,7-9H2,1-3H3
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800n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM138166
PNG
(US8877798, Table 3, Structure 12)
Show SMILES CC(C)N1CC2CC2(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H17Cl2N/c1-9(2)17-7-11-6-14(11,8-17)10-3-4-12(15)13(16)5-10/h3-5,9,11H,6-8H2,1-2H3
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827n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM138184
PNG
(US8877798, Table 3, Structure 30)
Show SMILES CN1CC2CC2(C1)c1ccc(C)c(F)c1
Show InChI InChI=1S/C13H16FN/c1-9-3-4-10(5-12(9)14)13-6-11(13)7-15(2)8-13/h3-5,11H,6-8H2,1-2H3
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830n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM138181
PNG
(US8877798, Table 3, Structure 27)
Show SMILES CN1CC2CC2(C1)c1ccc(F)c(C)c1
Show InChI InChI=1S/C13H16FN/c1-9-5-10(3-4-12(9)14)13-6-11(13)7-15(2)8-13/h3-5,11H,6-8H2,1-2H3
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920n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM138172
PNG
(US8877798, Table 3, Structure 18)
Show SMILES CN1CC2CC2(C1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C12H13F2N/c1-15-6-9-5-12(9,7-15)8-2-3-10(13)11(14)4-8/h2-4,9H,5-7H2,1H3
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990n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM138161
PNG
(US8877798, Table 3, Structure 7)
Show SMILES CCCN1CC2C[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C14H17Cl2N/c1-2-5-17-8-11-7-14(11,9-17)10-3-4-12(15)13(16)6-10/h3-4,6,11H,2,5,7-9H2,1H3/t11?,14-/m1/s1
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1.07E+3n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM138164
PNG
(US8877798, Table 3, Structure 10)
Show SMILES CCCCN1CC2C[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C15H19Cl2N/c1-2-3-6-18-9-12-8-15(12,10-18)11-4-5-13(16)14(17)7-11/h4-5,7,12H,2-3,6,8-10H2,1H3/t12?,15-/m1/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM138165
PNG
(US8877798, Table 3, Structure 11)
Show SMILES CC(C)CN1CC2CC2(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H19Cl2N/c1-10(2)7-18-8-12-6-15(12,9-18)11-3-4-13(16)14(17)5-11/h3-5,10,12H,6-9H2,1-2H3
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1.10E+3n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM138172
PNG
(US8877798, Table 3, Structure 18)
Show SMILES CN1CC2CC2(C1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C12H13F2N/c1-15-6-9-5-12(9,7-15)8-2-3-10(13)11(14)4-8/h2-4,9H,5-7H2,1H3
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1.60E+3n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM138159
PNG
(US8877798, Table 3, Structure 5)
Show SMILES CCCN1CC2CC2(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H17Cl2N/c1-2-5-17-8-11-7-14(11,9-17)10-3-4-12(15)13(16)6-10/h3-4,6,11H,2,5,7-9H2,1H3
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1.67E+3n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM138173
PNG
(US8877798, Table 3, Structure 19)
Show SMILES Fc1ccc(cc1Cl)C12CC1CNC2
Show InChI InChI=1S/C11H11ClFN/c12-9-3-7(1-2-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2
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1.70E+3n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM138169
PNG
(US8877798, Table 3, Structure 15)
Show SMILES Clc1ccc(cc1Cl)C12CC1CN(C2)C1CC1
Show InChI InChI=1S/C14H15Cl2N/c15-12-4-1-9(5-13(12)16)14-6-10(14)7-17(8-14)11-2-3-11/h1,4-5,10-11H,2-3,6-8H2
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1.70E+3n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM138159
PNG
(US8877798, Table 3, Structure 5)
Show SMILES CCCN1CC2CC2(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H17Cl2N/c1-2-5-17-8-11-7-14(11,9-17)10-3-4-12(15)13(16)6-10/h3-4,6,11H,2,5,7-9H2,1H3
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1.83E+3n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM138163
PNG
(US8877798, Table 3, Structure 9)
Show SMILES CCCCN1CC2C[C@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C15H19Cl2N/c1-2-3-6-18-9-12-8-15(12,10-18)11-4-5-13(16)14(17)7-11/h4-5,7,12H,2-3,6,8-10H2,1H3/t12?,15-/m0/s1
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1.90E+3n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM138172
PNG
(US8877798, Table 3, Structure 18)
Show SMILES CN1CC2CC2(C1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C12H13F2N/c1-15-6-9-5-12(9,7-15)8-2-3-10(13)11(14)4-8/h2-4,9H,5-7H2,1H3
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1.90E+3n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM138160
PNG
(US8877798, Table 3, Structure 6)
Show SMILES CCCN1CC2C[C@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C14H17Cl2N/c1-2-5-17-8-11-7-14(11,9-17)10-3-4-12(15)13(16)6-10/h3-4,6,11H,2,5,7-9H2,1H3/t11?,14-/m0/s1
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2.00E+3n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM138181
PNG
(US8877798, Table 3, Structure 27)
Show SMILES CN1CC2CC2(C1)c1ccc(F)c(C)c1
Show InChI InChI=1S/C13H16FN/c1-9-5-10(3-4-12(9)14)13-6-11(13)7-15(2)8-13/h3-5,11H,6-8H2,1-2H3
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2.20E+3n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM138162
PNG
(US8877798, Table 3, Structure 8)
Show SMILES CCCCN1CC2CC2(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H19Cl2N/c1-2-3-6-18-9-12-8-15(12,10-18)11-4-5-13(16)14(17)7-11/h4-5,7,12H,2-3,6,8-10H2,1H3
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2.20E+3n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM138161
PNG
(US8877798, Table 3, Structure 7)
Show SMILES CCCN1CC2C[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C14H17Cl2N/c1-2-5-17-8-11-7-14(11,9-17)10-3-4-12(15)13(16)6-10/h3-4,6,11H,2,5,7-9H2,1H3/t11?,14-/m1/s1
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2.40E+3n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM138169
PNG
(US8877798, Table 3, Structure 15)
Show SMILES Clc1ccc(cc1Cl)C12CC1CN(C2)C1CC1
Show InChI InChI=1S/C14H15Cl2N/c15-12-4-1-9(5-13(12)16)14-6-10(14)7-17(8-14)11-2-3-11/h1,4-5,10-11H,2-3,6-8H2
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3.70E+3n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM138160
PNG
(US8877798, Table 3, Structure 6)
Show SMILES CCCN1CC2C[C@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C14H17Cl2N/c1-2-5-17-8-11-7-14(11,9-17)10-3-4-12(15)13(16)6-10/h3-4,6,11H,2,5,7-9H2,1H3/t11?,14-/m0/s1
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4.00E+3n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM138188
PNG
(US8877798, Table 3, Structure 34)
Show SMILES CN1CC2CC2(C1)c1cc(Cl)c(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C12H12ClN3O4/c1-14-5-7-4-12(7,6-14)8-2-9(13)11(16(19)20)3-10(8)15(17)18/h2-3,7H,4-6H2,1H3
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4.30E+3n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM138168
PNG
(US8877798, Table 3, Structure 14)
Show SMILES CC(C)N1CC2C[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C14H17Cl2N/c1-9(2)17-7-11-6-14(11,8-17)10-3-4-12(15)13(16)5-10/h3-5,9,11H,6-8H2,1-2H3/t11?,14-/m1/s1
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5.15E+3n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM138162
PNG
(US8877798, Table 3, Structure 8)
Show SMILES CCCCN1CC2CC2(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H19Cl2N/c1-2-3-6-18-9-12-8-15(12,10-18)11-4-5-13(16)14(17)7-11/h4-5,7,12H,2-3,6,8-10H2,1H3
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6.10E+3n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM138180
PNG
(US8877798, Table 3, Structure 26)
Show SMILES CN1CC2CC2(C1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C12H13Cl2N/c1-15-6-8-5-12(8,7-15)10-3-2-9(13)4-11(10)14/h2-4,8H,5-7H2,1H3
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6.20E+3n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM138171
PNG
(US8877798, Table 3, Structure 17)
Show SMILES CN1CC2CC2(C1)c1ccc(F)cc1F
Show InChI InChI=1S/C12H13F2N/c1-15-6-8-5-12(8,7-15)10-3-2-9(13)4-11(10)14/h2-4,8H,5-7H2,1H3
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6.60E+3n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM138163
PNG
(US8877798, Table 3, Structure 9)
Show SMILES CCCCN1CC2C[C@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C15H19Cl2N/c1-2-3-6-18-9-12-8-15(12,10-18)11-4-5-13(16)14(17)7-11/h4-5,7,12H,2-3,6,8-10H2,1H3/t12?,15-/m0/s1
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7.60E+3n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM138164
PNG
(US8877798, Table 3, Structure 10)
Show SMILES CCCCN1CC2C[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C15H19Cl2N/c1-2-3-6-18-9-12-8-15(12,10-18)11-4-5-13(16)14(17)7-11/h4-5,7,12H,2-3,6,8-10H2,1H3/t12?,15-/m1/s1
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8.90E+3n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM138170
PNG
(US8877798, Table 3, Structure 16)
Show SMILES CC(C)(C)N1CC2CC2(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H19Cl2N/c1-14(2,3)18-8-11-7-15(11,9-18)10-4-5-12(16)13(17)6-10/h4-6,11H,7-9H2,1-3H3
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9.30E+3n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM138169
PNG
(US8877798, Table 3, Structure 15)
Show SMILES Clc1ccc(cc1Cl)C12CC1CN(C2)C1CC1
Show InChI InChI=1S/C14H15Cl2N/c15-12-4-1-9(5-13(12)16)14-6-10(14)7-17(8-14)11-2-3-11/h1,4-5,10-11H,2-3,6-8H2
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9.50E+3n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM138165
PNG
(US8877798, Table 3, Structure 11)
Show SMILES CC(C)CN1CC2CC2(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H19Cl2N/c1-10(2)7-18-8-12-6-15(12,9-18)11-3-4-13(16)14(17)5-11/h3-5,10,12H,6-9H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM138165
PNG
(US8877798, Table 3, Structure 11)
Show SMILES CC(C)CN1CC2CC2(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H19Cl2N/c1-10(2)7-18-8-12-6-15(12,9-18)11-3-4-13(16)14(17)5-11/h3-5,10,12H,6-9H2,1-2H3
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1.60E+4n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%