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Compile Data Set for Download or QSAR

Found 6 hits of kd for monomerid = 22199   
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 dopamine transporter


(Homo sapiens (Human))
BDBM22199
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-[(2E)-3-...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H30F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-15,28H,16-22H2/b7-4+
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PubMed
n/an/an/a 7.76n/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Inhibition of radioligand [125I]RTI-55 binding to human Dopamine transporter in clonal cells


J Med Chem 45: 1577-84 (2002)


Article DOI: 10.1021/jm011007+
BindingDB Entry DOI: 10.7270/Q29026JT
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM22199
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-[(2E)-3-...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H30F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-15,28H,16-22H2/b7-4+
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PubMed
n/an/an/a 7.80n/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Inhibition of radioligand [125I]RTI-55 binding to human Dopamine transporter in clonal cells


J Med Chem 45: 1577-84 (2002)


Article DOI: 10.1021/jm011007+
BindingDB Entry DOI: 10.7270/Q29026JT
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM22199
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-[(2E)-3-...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H30F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-15,28H,16-22H2/b7-4+
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PubMed
n/an/an/a 363n/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Inhibition of [125I]RTI-55 binding to human SERT in clonal cells


J Med Chem 45: 1577-84 (2002)


Article DOI: 10.1021/jm011007+
BindingDB Entry DOI: 10.7270/Q29026JT
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM22199
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-[(2E)-3-...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H30F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-15,28H,16-22H2/b7-4+
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PubMed
n/an/an/a 363n/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Inhibition of [125I]RTI-55 binding to human SERT in clonal cells


J Med Chem 45: 1577-84 (2002)


Article DOI: 10.1021/jm011007+
BindingDB Entry DOI: 10.7270/Q29026JT
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM22199
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-[(2E)-3-...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H30F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-15,28H,16-22H2/b7-4+
NCI pathway
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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/an/a 407n/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Inhibition of radioligand [125I]RTI-55 binding to human Dopamine transporter in clonal cells


J Med Chem 45: 1577-84 (2002)


Article DOI: 10.1021/jm011007+
BindingDB Entry DOI: 10.7270/Q29026JT
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM22199
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-[(2E)-3-...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H30F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-15,28H,16-22H2/b7-4+
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 954n/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Inhibition of [125I]RTI-55 binding to human SERT in clonal cells


J Med Chem 45: 1577-84 (2002)


Article DOI: 10.1021/jm011007+
BindingDB Entry DOI: 10.7270/Q29026JT
More data for this
Ligand-Target Pair