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Compile Data Set for Download or QSAR

Found 8 hits of ki for monomerid = 50046732   
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))
BDBM50046732
PNG
((R)-3-(4-Chloro-phenyl)-8-aza-bicyclo[3.2.1]octane...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7|
Show InChI InChI=1S/C15H18ClNO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3
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Article
PubMed
0.380n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from serotonin transporter (5-HT) of rat cerebral cortex


J Med Chem 48: 3852-7 (2005)


Article DOI: 10.1021/jm058164j
BindingDB Entry DOI: 10.7270/Q2M909FV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50046732
PNG
((R)-3-(4-Chloro-phenyl)-8-aza-bicyclo[3.2.1]octane...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7|
Show InChI InChI=1S/C15H18ClNO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3
PDB

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Article
PubMed
0.380n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from serotonin transporter (5-HT) of rat cerebral cortex


J Med Chem 48: 3852-7 (2005)


Article DOI: 10.1021/jm058164j
BindingDB Entry DOI: 10.7270/Q2M909FV
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50046732
PNG
((R)-3-(4-Chloro-phenyl)-8-aza-bicyclo[3.2.1]octane...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7|
Show InChI InChI=1S/C15H18ClNO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3
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UniProtKB/TrEMBL

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PubMed
3.10n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of 0.5 nM [3H]nisoxetine binding to Norepinephrine transporter


Bioorg Med Chem Lett 10: 2445-7 (2001)


BindingDB Entry DOI: 10.7270/Q2474BCV
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50046732
PNG
((R)-3-(4-Chloro-phenyl)-8-aza-bicyclo[3.2.1]octane...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7|
Show InChI InChI=1S/C15H18ClNO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3
Reactome pathway
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UniProtKB/TrEMBL

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UniChem

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Article
PubMed
3.10n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from norepinephrine transporter (NET) of rat cerebral cortex


J Med Chem 48: 3852-7 (2005)


Article DOI: 10.1021/jm058164j
BindingDB Entry DOI: 10.7270/Q2M909FV
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50046732
PNG
((R)-3-(4-Chloro-phenyl)-8-aza-bicyclo[3.2.1]octane...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7|
Show InChI InChI=1S/C15H18ClNO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3
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UniProtKB/TrEMBL

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UniChem

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Article
PubMed
3.28n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from norepinephrine transporter (NET) of rat cerebral cortex


J Med Chem 48: 3852-7 (2005)


Article DOI: 10.1021/jm058164j
BindingDB Entry DOI: 10.7270/Q2M909FV
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50046732
PNG
((R)-3-(4-Chloro-phenyl)-8-aza-bicyclo[3.2.1]octane...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7|
Show InChI InChI=1S/C15H18ClNO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3
Reactome pathway
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PubMed
3.30n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of 0.5 nM [3H]nisoxetine binding to Norepinephrine transporter


Bioorg Med Chem Lett 10: 2445-7 (2001)


BindingDB Entry DOI: 10.7270/Q2474BCV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50046732
PNG
((R)-3-(4-Chloro-phenyl)-8-aza-bicyclo[3.2.1]octane...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7|
Show InChI InChI=1S/C15H18ClNO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3
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PubMed
4.80n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of 0.2 nM [3H]paroxetine binding to Serotonin transporter


Bioorg Med Chem Lett 10: 2445-7 (2001)


BindingDB Entry DOI: 10.7270/Q2474BCV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50046732
PNG
((R)-3-(4-Chloro-phenyl)-8-aza-bicyclo[3.2.1]octane...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7|
Show InChI InChI=1S/C15H18ClNO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
4.80n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of 0.5 nM [3H]nisoxetine binding toNorepinephrine transporter


Bioorg Med Chem Lett 10: 2445-7 (2001)


BindingDB Entry DOI: 10.7270/Q2474BCV
More data for this
Ligand-Target Pair