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Compile Data Set for Download or QSAR

Found 5 hits from Central Washington University   
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))
BDBM50094929
PNG
(2-(2-Methyl-piperazin-1-yl)-6-nitro-quinoline | CH...)
Show SMILES CC1CNCCN1c1ccc2cc(ccc2n1)[N+]([O-])=O
Show InChI InChI=1S/C14H16N4O2/c1-10-9-15-6-7-17(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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Article
PubMed
0.0810n/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
Monoamine transporters; serotonin & dopamine


(Rattus norvegicus (rat))
BDBM50063266
PNG
(6-Nitro-2-piperazin-1-yl-quinoline | 6-nitroquipaz...)
Show SMILES [O-][N+](=O)c1ccc2nc(ccc2c1)N1CCNCC1
Show InChI InChI=1S/C13H14N4O2/c18-17(19)11-2-3-12-10(9-11)1-4-13(15-12)16-7-5-14-6-8-16/h1-4,9,14H,5-8H2
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PubMed
0.163n/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))
BDBM50094930
PNG
(5-Iodo-6-nitro-2-piperazin-1-yl-quinoline | CHEMBL...)
Show SMILES [O-][N+](=O)c1ccc2nc(ccc2c1I)N1CCNCC1
Show InChI InChI=1S/C13H13IN4O2/c14-13-9-1-4-12(17-7-5-15-6-8-17)16-10(9)2-3-11(13)18(19)20/h1-4,15H,5-8H2
PDB

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UniProtKB/SwissProt

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CHEMBL
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Article
PubMed
0.190n/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))
BDBM50063266
PNG
(6-Nitro-2-piperazin-1-yl-quinoline | 6-nitroquipaz...)
Show SMILES [O-][N+](=O)c1ccc2nc(ccc2c1)N1CCNCC1
Show InChI InChI=1S/C13H14N4O2/c18-17(19)11-2-3-12-10(9-11)1-4-13(15-12)16-7-5-14-6-8-16/h1-4,9,14H,5-8H2
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
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Article
PubMed
0.230n/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))
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
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
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