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PubMed code 23574807

Compile data set for download or QSAR
Found 12 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))
BDBM105212
PNG
(2-(4-Nonyl-piperazin-1-yl)-6-nitroquinoline (9))
Show SMILES CCCCCCCCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O
Show InChI InChI=1S/C22H32N4O2/c1-2-3-4-5-6-7-8-13-24-14-16-25(17-15-24)22-12-9-19-18-20(26(27)28)10-11-21(19)23-22/h9-12,18H,2-8,13-17H2,1H3
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Article
PubMed
1.80n/an/an/an/an/an/an/an/a



University of Troms£



Assay Description
The assay was performed in accordance with the method described by Owens et al. with slight modifications. Rat cerebral cortex was homogenized in 30...


Chem Biol Drug Des 81: 695-706 (2013)


Article DOI: 10.1111/cbdd.12116
BindingDB Entry DOI: 10.7270/Q2542M7W
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM105213
PNG
(2-(4-Decyl-piperazin-1-yl)-6-nitroquinoline (10))
Show SMILES CCCCCCCCCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O
Show InChI InChI=1S/C23H34N4O2/c1-2-3-4-5-6-7-8-9-14-25-15-17-26(18-16-25)23-13-10-20-19-21(27(28)29)11-12-22(20)24-23/h10-13,19H,2-9,14-18H2,1H3
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4.5n/an/an/an/an/an/an/an/a



University of Troms£



Assay Description
The assay was performed in accordance with the method described by Owens et al. with slight modifications. Rat cerebral cortex was homogenized in 30...


Chem Biol Drug Des 81: 695-706 (2013)


Article DOI: 10.1111/cbdd.12116
BindingDB Entry DOI: 10.7270/Q2542M7W
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM105214
PNG
(2-(4-Undecyl-piperazin-1-yl)-6-nitroquinoline (11))
Show SMILES CCCCCCCCCCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O
Show InChI InChI=1S/C24H36N4O2/c1-2-3-4-5-6-7-8-9-10-15-26-16-18-27(19-17-26)24-14-11-21-20-22(28(29)30)12-13-23(21)25-24/h11-14,20H,2-10,15-19H2,1H3
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12.6n/an/an/an/an/an/an/an/a



University of Troms£



Assay Description
The assay was performed in accordance with the method described by Owens et al. with slight modifications. Rat cerebral cortex was homogenized in 30...


Chem Biol Drug Des 81: 695-706 (2013)


Article DOI: 10.1111/cbdd.12116
BindingDB Entry DOI: 10.7270/Q2542M7W
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM105215
PNG
(2-(4-Dodecyl-piperazin-1-yl)-6-nitroquinoline (12))
Show SMILES CCCCCCCCCCCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O
Show InChI InChI=1S/C25H38N4O2/c1-2-3-4-5-6-7-8-9-10-11-16-27-17-19-28(20-18-27)25-15-12-22-21-23(29(30)31)13-14-24(22)26-25/h12-15,21H,2-11,16-20H2,1H3
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16.1n/an/an/an/an/an/an/an/a



University of Troms£



Assay Description
The assay was performed in accordance with the method described by Owens et al. with slight modifications. Rat cerebral cortex was homogenized in 30...


Chem Biol Drug Des 81: 695-706 (2013)


Article DOI: 10.1111/cbdd.12116
BindingDB Entry DOI: 10.7270/Q2542M7W
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM105211
PNG
(2-(4-Octyl-piperazin-1-yl)-6-nitroquinoline (8))
Show SMILES CCCCCCCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O
Show InChI InChI=1S/C21H30N4O2/c1-2-3-4-5-6-7-12-23-13-15-24(16-14-23)21-11-8-18-17-19(25(26)27)9-10-20(18)22-21/h8-11,17H,2-7,12-16H2,1H3
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20.8n/an/an/an/an/an/an/an/a



University of Troms£



Assay Description
The assay was performed in accordance with the method described by Owens et al. with slight modifications. Rat cerebral cortex was homogenized in 30...


Chem Biol Drug Des 81: 695-706 (2013)


Article DOI: 10.1111/cbdd.12116
BindingDB Entry DOI: 10.7270/Q2542M7W
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM105207
PNG
(2-(4-Butyl-piperazin-1-yl)-6-nitroquinoline (4))
Show SMILES CCCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O
Show InChI InChI=1S/C17H22N4O2/c1-2-3-8-19-9-11-20(12-10-19)17-7-4-14-13-15(21(22)23)5-6-16(14)18-17/h4-7,13H,2-3,8-12H2,1H3
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24n/an/an/an/an/an/an/an/a



University of Troms£



Assay Description
The assay was performed in accordance with the method described by Owens et al. with slight modifications. Rat cerebral cortex was homogenized in 30...


Chem Biol Drug Des 81: 695-706 (2013)


Article DOI: 10.1111/cbdd.12116
BindingDB Entry DOI: 10.7270/Q2542M7W
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM105210
PNG
(2-(4-Heptyl-piperazin-1-yl)-6-nitroquinoline (7))
Show SMILES CCCCCCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O
Show InChI InChI=1S/C20H28N4O2/c1-2-3-4-5-6-11-22-12-14-23(15-13-22)20-10-7-17-16-18(24(25)26)8-9-19(17)21-20/h7-10,16H,2-6,11-15H2,1H3
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Article
PubMed
54.1n/an/an/an/an/an/an/an/a



University of Troms£



Assay Description
The assay was performed in accordance with the method described by Owens et al. with slight modifications. Rat cerebral cortex was homogenized in 30...


Chem Biol Drug Des 81: 695-706 (2013)


Article DOI: 10.1111/cbdd.12116
BindingDB Entry DOI: 10.7270/Q2542M7W
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM105209
PNG
(2-(4-Hexyl-piperazin-1-yl)-6-nitroquinoline (6))
Show SMILES CCCCCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O
Show InChI InChI=1S/C19H26N4O2/c1-2-3-4-5-10-21-11-13-22(14-12-21)19-9-6-16-15-17(23(24)25)7-8-18(16)20-19/h6-9,15H,2-5,10-14H2,1H3
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72.9n/an/an/an/an/an/an/an/a



University of Troms£



Assay Description
The assay was performed in accordance with the method described by Owens et al. with slight modifications. Rat cerebral cortex was homogenized in 30...


Chem Biol Drug Des 81: 695-706 (2013)


Article DOI: 10.1111/cbdd.12116
BindingDB Entry DOI: 10.7270/Q2542M7W
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM105208
PNG
(2-(4-Pentyl-piperazin-1-yl)-6-nitroquinoline (5))
Show SMILES CCCCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O
Show InChI InChI=1S/C18H24N4O2/c1-2-3-4-9-20-10-12-21(13-11-20)18-8-5-15-14-16(22(23)24)6-7-17(15)19-18/h5-8,14H,2-4,9-13H2,1H3
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80.5n/an/an/an/an/an/an/an/a



University of Troms£



Assay Description
The assay was performed in accordance with the method described by Owens et al. with slight modifications. Rat cerebral cortex was homogenized in 30...


Chem Biol Drug Des 81: 695-706 (2013)


Article DOI: 10.1111/cbdd.12116
BindingDB Entry DOI: 10.7270/Q2542M7W
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM105205
PNG
(2-(4-Ethyl-piperazin-1-yl)-6-nitroquinoline (2))
Show SMILES CCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O
Show InChI InChI=1S/C15H18N4O2/c1-2-17-7-9-18(10-8-17)15-6-3-12-11-13(19(20)21)4-5-14(12)16-15/h3-6,11H,2,7-10H2,1H3
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Article
PubMed
86.1n/an/an/an/an/an/an/an/a



University of Troms£



Assay Description
The assay was performed in accordance with the method described by Owens et al. with slight modifications. Rat cerebral cortex was homogenized in 30...


Chem Biol Drug Des 81: 695-706 (2013)


Article DOI: 10.1111/cbdd.12116
BindingDB Entry DOI: 10.7270/Q2542M7W
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM105206
PNG
(2-(4-Propyl-piperazin-1-yl)-6-nitroquinoline (3))
Show SMILES CCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O
Show InChI InChI=1S/C16H20N4O2/c1-2-7-18-8-10-19(11-9-18)16-6-3-13-12-14(20(21)22)4-5-15(13)17-16/h3-6,12H,2,7-11H2,1H3
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Article
PubMed
496n/an/an/an/an/an/an/an/a



University of Troms£



Assay Description
The assay was performed in accordance with the method described by Owens et al. with slight modifications. Rat cerebral cortex was homogenized in 30...


Chem Biol Drug Des 81: 695-706 (2013)


Article DOI: 10.1111/cbdd.12116
BindingDB Entry DOI: 10.7270/Q2542M7W
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM105204
PNG
(2-(4-Methyl-piperazin-1-yl)-6-nitroquinoline (1))
Show SMILES CN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O
Show InChI InChI=1S/C14H16N4O2/c1-16-6-8-17(9-7-16)14-5-2-11-10-12(18(19)20)3-4-13(11)15-14/h2-5,10H,6-9H2,1H3
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PubMed
1.30E+3n/an/an/an/an/an/an/an/a



University of Troms£



Assay Description
The assay was performed in accordance with the method described by Owens et al. with slight modifications. Rat cerebral cortex was homogenized in 30...


Chem Biol Drug Des 81: 695-706 (2013)


Article DOI: 10.1111/cbdd.12116
BindingDB Entry DOI: 10.7270/Q2542M7W
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%