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Patent code US9604945

Compile Data Set for Download or QSAR
Found 7 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
Monoamine transporters; serotonin & dopamine


(Homo sapiens (human))
BDBM312193
PNG
(3-(p-methyl-benzyl)- syndonimine-N- phenylcarbamoy...)
Show SMILES Cc1ccc(CN2C\C(ON2)=N/C(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C17H18N4O2/c1-13-7-9-14(10-8-13)11-21-12-16(23-20-21)19-17(22)18-15-5-3-2-4-6-15/h2-10,20H,11-12H2,1H3,(H,18,22)/b19-16+
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PC cid
PC sid
UniChem
US Patent
190n/an/an/an/an/an/an/an/a



Caliper Life Sciences, Inc.

US Patent


Assay Description
1. Each tube receives the following components: 25 ul drug or vehicle 25 ul [3H]-Nisoxetine 200 ul tissue suspension. 2. Initiate binding reaction wi...


US Patent US9604945 (2017)

More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (human))
BDBM312223
PNG
(3-(p-fluorobenzyl)- syndonimine-N- phenylcarbamoyl...)
Show SMILES Fc1ccc(CN2C\C(ON2)=N/C(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C16H15FN4O2/c17-13-8-6-12(7-9-13)10-21-11-15(23-20-21)19-16(22)18-14-4-2-1-3-5-14/h1-9,20H,10-11H2,(H,18,22)/b19-15+
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US Patent
460n/an/an/an/an/an/an/an/a



Caliper Life Sciences, Inc.

US Patent


Assay Description
1. Each tube receives the following components: 25 ul drug or vehicle 25 ul [3H]-Nisoxetine 200 ul tissue suspension. 2. Initiate binding reaction wi...


US Patent US9604945 (2017)

More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (human))
BDBM312192
PNG
(3-(p-carboxylbenzyl)- syndonimine N- phenylcarbamo...)
Show SMILES OC(=O)c1ccc(CN2C\C(ON2)=N/C(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C17H16N4O4/c22-16(23)13-8-6-12(7-9-13)10-21-11-15(25-20-21)19-17(24)18-14-4-2-1-3-5-14/h1-9,20H,10-11H2,(H,18,24)(H,22,23)/b19-15+
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US Patent
2.70E+3n/an/an/an/an/an/an/an/a



Caliper Life Sciences, Inc.

US Patent


Assay Description
1. Each tube receives the following components: 25 ul drug or vehicle 25 ul [3H]-Nisoxetine 200 ul tissue suspension. 2. Initiate binding reaction wi...


US Patent US9604945 (2017)

More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (human))
BDBM312200
PNG
(3-(phenylpropyl)- syndonimine-N- phenylcarbamoyl |...)
Show SMILES O=C(Nc1ccccc1)\N=C1/CN(CCCc2ccccc2)NO1
Show InChI InChI=1S/C18H20N4O2/c23-18(19-16-11-5-2-6-12-16)20-17-14-22(21-24-17)13-7-10-15-8-3-1-4-9-15/h1-6,8-9,11-12,21H,7,10,13-14H2,(H,19,23)/b20-17+
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US Patent
2.50E+4n/an/an/an/an/an/an/an/a



Caliper Life Sciences, Inc.

US Patent


Assay Description
1. Each tube receives the following components: 25 ul drug or vehicle 25 ul [3H]-Nisoxetine 200 ul tissue suspension. 2. Initiate binding reaction wi...


US Patent US9604945 (2017)

More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (human))
BDBM312189
PNG
(3-(benzyl)- syndonimine-N- phenylcarbamoyl | US960...)
Show SMILES O=C(Nc1ccccc1)\N=C1/CN(Cc2ccccc2)NO1
Show InChI InChI=1S/C16H16N4O2/c21-16(17-14-9-5-2-6-10-14)18-15-12-20(19-22-15)11-13-7-3-1-4-8-13/h1-10,19H,11-12H2,(H,17,21)/b18-15+
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US Patent
3.60E+4n/an/an/an/an/an/an/an/a



Caliper Life Sciences, Inc.

US Patent


Assay Description
1. Each tube receives the following components: 25 ul drug or vehicle 25 ul [3H]-Nisoxetine 200 ul tissue suspension. 2. Initiate binding reaction wi...


US Patent US9604945 (2017)

More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (human))
BDBM312195
PNG
(3-phenethyl- syndonimine-N- (3',4'-dichlorophenyl)...)
Show SMILES Clc1ccc(NC(=O)\N=C2/CN(CCc3ccccc3)NO2)cc1Cl
Show InChI InChI=1S/C17H16Cl2N4O2/c18-14-7-6-13(10-15(14)19)20-17(24)21-16-11-23(22-25-16)9-8-12-4-2-1-3-5-12/h1-7,10,22H,8-9,11H2,(H,20,24)/b21-16+
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PC cid
PC sid
UniChem
US Patent
4.00E+4n/an/an/an/an/an/an/an/a



Caliper Life Sciences, Inc.

US Patent


Assay Description
1. Each tube receives the following components: 25 ul drug or vehicle 25 ul [3H]-Nisoxetine 200 ul tissue suspension. 2. Initiate binding reaction wi...


US Patent US9604945 (2017)

More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (human))
BDBM312196
PNG
(3-(p-nitrophenethyl) syndonimine-N- (3',4'-dinitro...)
Show SMILES [O-][N+](=O)c1ccc(CCN2C\C(ON2)=N/C(=O)Nc2ccc(c(c2)[N+]([O-])=O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C17H15N7O8/c25-17(18-12-3-6-14(23(28)29)15(9-12)24(30)31)19-16-10-21(20-32-16)8-7-11-1-4-13(5-2-11)22(26)27/h1-6,9,20H,7-8,10H2,(H,18,25)/b19-16+
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PC cid
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UniChem
US Patent
1.00E+5n/an/an/an/an/an/an/an/a



Caliper Life Sciences, Inc.

US Patent


Assay Description
1. Each tube receives the following components: 25 ul drug or vehicle 25 ul [3H]-Nisoxetine 200 ul tissue suspension. 2. Initiate binding reaction wi...


US Patent US9604945 (2017)

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