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19 similar compounds to monomer 50063266

Compile data set for download or QSAR
Wt: 342.4
BDBM105209
Wt: 356.4
BDBM105210
Wt: 370.4
BDBM105211
Wt: 384.5
BDBM105212
Wt: 398.5
BDBM105213
Wt: 412.5
BDBM105214
Wt: 426.5
BDBM105215
Wt: 272.3
BDBM105204
Wt: 286.3
BDBM105205
Wt: 300.3
BDBM105206
Wt: 314.3
BDBM105207
Wt: 328.4
BDBM105208
Wt: 272.3
BDBM50090211
Purchase
Wt: 232.2
BDBM50090212
Wt: 272.3
BDBM50090215
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Displayed 1 to 15 (of 19 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 105209,105210,105211,105212,105213,105214,105215,105204,105205,105206,105207,105208,50090211,50090212,50090215   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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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PubMed
1.80 -11.9n/an/an/an/an/a7.725



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))
BDBM50090215
PNG
(2-[1,4]Diazepan-1-yl-6-nitro-quinoline | CHEMBL431...)
Show SMILES [O-][N+](=O)c1ccc2nc(ccc2c1)N1CCCNCC1
Show InChI InChI=1S/C14H16N4O2/c19-18(20)12-3-4-13-11(10-12)2-5-14(16-13)17-8-1-6-15-7-9-17/h2-5,10,15H,1,6-9H2
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PubMed
1.90n/an/an/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibition of [3H]citalopram binding to Serotonin transporter of rat cerebral cortex


Bioorg Med Chem Lett 10: 1559-62 (2000)


Article DOI: 10.1016/s0960-894x(00)00290-0
BindingDB Entry DOI: 10.7270/Q20P10J2
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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4.5 -11.4n/an/an/an/an/a7.725



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))
BDBM50090211
PNG
(2-(3-Methyl-piperazin-1-yl)-6-nitro-quinoline | CH...)
Show SMILES CC1CN(CCN1)c1ccc2cc(ccc2n1)[N+]([O-])=O
Show InChI InChI=1S/C14H16N4O2/c1-10-9-17(7-6-15-10)14-5-2-11-8-12(18(19)20)3-4-13(11)16-14/h2-5,8,10,15H,6-7,9H2,1H3
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4.60n/an/an/an/an/an/an/an/a



Central Washington University

Curated by ChEMBL


Assay Description
In vitro radioligand [3H]-paroxetine from rat cortical Serotonin transporter


Bioorg Med Chem Lett 10: 2643-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00546-1
BindingDB Entry DOI: 10.7270/Q2W37VJW
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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12.6 -10.8n/an/an/an/an/a7.725



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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16.1 -10.6n/an/an/an/an/a7.725



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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20.8 -10.5n/an/an/an/an/a7.725



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))
BDBM50090211
PNG
(2-(3-Methyl-piperazin-1-yl)-6-nitro-quinoline | CH...)
Show SMILES CC1CN(CCN1)c1ccc2cc(ccc2n1)[N+]([O-])=O
Show InChI InChI=1S/C14H16N4O2/c1-10-9-17(7-6-15-10)14-5-2-11-8-12(18(19)20)3-4-13(11)16-14/h2-5,8,10,15H,6-7,9H2,1H3
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22n/an/an/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibition of [3H]citalopram binding to Serotonin transporter of rat cerebral cortex


Bioorg Med Chem Lett 10: 1559-62 (2000)


Article DOI: 10.1016/s0960-894x(00)00290-0
BindingDB Entry DOI: 10.7270/Q20P10J2
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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24 -10.4n/an/an/an/an/a7.725



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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54.1 -9.91n/an/an/an/an/a7.725



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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72.9 -9.73n/an/an/an/an/a7.725



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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80.5 -9.67n/an/an/an/an/a7.725



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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86.1 -9.63n/an/an/an/an/a7.725



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))
BDBM50090212
PNG
(CHEMBL38754 | N*1*-(6-Nitro-quinolin-2-yl)-ethane-...)
Show SMILES NCCNc1ccc2cc(ccc2n1)[N+]([O-])=O
Show InChI InChI=1S/C11H12N4O2/c12-5-6-13-11-4-1-8-7-9(15(16)17)2-3-10(8)14-11/h1-4,7H,5-6,12H2,(H,13,14)
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164n/an/an/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibition of [3H]citalopram binding to Serotonin transporter of rat cerebral cortex


Bioorg Med Chem Lett 10: 1559-62 (2000)


Article DOI: 10.1016/s0960-894x(00)00290-0
BindingDB Entry DOI: 10.7270/Q20P10J2
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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496 -8.60n/an/an/an/an/a7.725



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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1.30E+3 -8.02n/an/an/an/an/a7.725



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