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Patent code US10188758

Compile Data Set for Download or QSAR
Found 8 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 noradrenaline transporter


(Homo sapiens (human))
BDBM323699
PNG
((R)-3-(2-Ethoxypyridin-3-yloxy)-N-methyl-3-phenylp...)
Show SMILES CCOc1ncccc1O[C@H](CCNC)c1ccccc1
Show InChI InChI=1S/C17H22N2O2/c1-3-20-17-16(10-7-12-19-17)21-15(11-13-18-2)14-8-5-4-6-9-14/h4-10,12,15,18H,3,11,13H2,1-2H3/t15-/m1/s1
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US Patent
4.20n/an/an/an/an/an/an/an/a



INTRA-CELLULAR THERAPIES, INC.

US Patent


Assay Description
Assay Type: BindingSpecies: HumanOrigin: Recombinant/CHO cellsLigand: [3H]-NisoxetineLigand [M]: 1.00E-09Kd (Binding Affinity): 3.00E-09Bmax: 10 pmol...


US Patent US10188758 (2019)

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


(Homo sapiens (human))
BDBM323703
PNG
((R)-3-(2-ethoxypyridin-3-yloxy)-N-ethyl-3-phenylpr...)
Show SMILES CCNCC[C@@H](Oc1cccnc1OCC)c1ccccc1
Show InChI InChI=1S/C18H24N2O2/c1-3-19-14-12-16(15-9-6-5-7-10-15)22-17-11-8-13-20-18(17)21-4-2/h5-11,13,16,19H,3-4,12,14H2,1-2H3/t16-/m1/s1
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37.3n/an/an/an/an/an/an/an/a



INTRA-CELLULAR THERAPIES, INC.

US Patent


Assay Description
Assay Type: BindingSpecies: HumanOrigin: Recombinant/CHO cellsLigand: [3H]-NisoxetineLigand [M]: 1.00E-09Kd (Binding Affinity): 3.00E-09Bmax: 10 pmol...


US Patent US10188758 (2019)

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


(Homo sapiens (human))
BDBM323677
PNG
((R)-2-(3-(3-(Methylamino)-1-phenylpropoxy)pyridin-...)
Show SMILES CNCC[C@@H](Oc1cccnc1OCCO)c1ccccc1
Show InChI InChI=1S/C17H22N2O3/c1-18-11-9-15(14-6-3-2-4-7-14)22-16-8-5-10-19-17(16)21-13-12-20/h2-8,10,15,18,20H,9,11-13H2,1H3/t15-/m1/s1
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39n/an/an/an/an/an/an/an/a



INTRA-CELLULAR THERAPIES, INC.

US Patent


Assay Description
Assay Type: BindingSpecies: HumanOrigin: Recombinant/CHO cellsLigand: [3H]-NisoxetineLigand [M]: 1.00E-09Kd (Binding Affinity): 3.00E-09Bmax: 10 pmol...


US Patent US10188758 (2019)

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


(Homo sapiens (human))
BDBM323683
PNG
((R)-3-Phenyl-3-(2-ethoxypyridin-3-yloxy)propan-1-a...)
Show SMILES CCOc1ncccc1O[C@H](CCN)c1ccccc1
Show InChI InChI=1S/C16H20N2O2/c1-2-19-16-15(9-6-12-18-16)20-14(10-11-17)13-7-4-3-5-8-13/h3-9,12,14H,2,10-11,17H2,1H3/t14-/m1/s1
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69n/an/an/an/an/an/an/an/a



INTRA-CELLULAR THERAPIES, INC.

US Patent


Assay Description
Assay Type: BindingSpecies: HumanOrigin: Recombinant/CHO cellsLigand: [3H]-NisoxetineLigand [M]: 1.00E-09Kd (Binding Affinity): 3.00E-09Bmax: 10 pmol...


US Patent US10188758 (2019)

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


(Homo sapiens (human))
BDBM323700
PNG
((R)-N-ethyl-3-(2-methoxypyridin-3-yloxy)-3-phenylp...)
Show SMILES CCNCC[C@@H](Oc1cccnc1OC)c1ccccc1
Show InChI InChI=1S/C17H22N2O2/c1-3-18-13-11-15(14-8-5-4-6-9-14)21-16-10-7-12-19-17(16)20-2/h4-10,12,15,18H,3,11,13H2,1-2H3/t15-/m1/s1
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81.4n/an/an/an/an/an/an/an/a



INTRA-CELLULAR THERAPIES, INC.

US Patent


Assay Description
Assay Type: BindingSpecies: HumanOrigin: Recombinant/CHO cellsLigand: [3H]-NisoxetineLigand [M]: 1.00E-09Kd (Binding Affinity): 3.00E-09Bmax: 10 pmol...


US Patent US10188758 (2019)

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


(Homo sapiens (human))
BDBM323700
PNG
((R)-N-ethyl-3-(2-methoxypyridin-3-yloxy)-3-phenylp...)
Show SMILES CCNCC[C@@H](Oc1cccnc1OC)c1ccccc1
Show InChI InChI=1S/C17H22N2O2/c1-3-18-13-11-15(14-8-5-4-6-9-14)21-16-10-7-12-19-17(16)20-2/h4-10,12,15,18H,3,11,13H2,1-2H3/t15-/m1/s1
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240n/an/an/an/an/an/an/an/a



INTRA-CELLULAR THERAPIES, INC.

US Patent


Assay Description
Assay Type: BindingSpecies: HumanOrigin: PlateletsLigand: [3H]Citalopram, N-MethylLigand [M]: 7.00E-10Kd (Binding Affinity): 2.50E-09Bmax: 425 fmol/m...


US Patent US10188758 (2019)

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


(Homo sapiens (human))
BDBM323699
PNG
((R)-3-(2-Ethoxypyridin-3-yloxy)-N-methyl-3-phenylp...)
Show SMILES CCOc1ncccc1O[C@H](CCNC)c1ccccc1
Show InChI InChI=1S/C17H22N2O2/c1-3-20-17-16(10-7-12-19-17)21-15(11-13-18-2)14-8-5-4-6-9-14/h4-10,12,15,18H,3,11,13H2,1-2H3/t15-/m1/s1
PDB

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US Patent
318n/an/an/an/an/an/an/an/a



INTRA-CELLULAR THERAPIES, INC.

US Patent


Assay Description
Assay Type: BindingSpecies: HumanOrigin: PlateletsLigand: [3H]Citalopram, N-MethylLigand [M]: 7.00E-10Kd (Binding Affinity): 2.50E-09Bmax: 425 fmol/m...


US Patent US10188758 (2019)

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


(Homo sapiens (human))
BDBM323703
PNG
((R)-3-(2-ethoxypyridin-3-yloxy)-N-ethyl-3-phenylpr...)
Show SMILES CCNCC[C@@H](Oc1cccnc1OCC)c1ccccc1
Show InChI InChI=1S/C18H24N2O2/c1-3-19-14-12-16(15-9-6-5-7-10-15)22-17-11-8-13-20-18(17)21-4-2/h5-11,13,16,19H,3-4,12,14H2,1-2H3/t16-/m1/s1
PDB

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US Patent
579n/an/an/an/an/an/an/an/a



INTRA-CELLULAR THERAPIES, INC.

US Patent


Assay Description
Assay Type: BindingSpecies: HumanOrigin: PlateletsLigand: [3H]Citalopram, N-MethylLigand [M]: 7.00E-10Kd (Binding Affinity): 2.50E-09Bmax: 425 fmol/m...


US Patent US10188758 (2019)

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