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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50126813   
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


(Rattus norvegicus (rat))
BDBM50126813
PNG
(1-(4-chlorobenzyl)-4-(2-(bis(4-fluorophenyl)methox...)
Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C27H28ClF2NO/c28-24-7-1-21(2-8-24)19-31-16-13-20(14-17-31)15-18-32-27(22-3-9-25(29)10-4-22)23-5-11-26(30)12-6-23/h1-12,20,27H,13-19H2
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PubMed
1.20n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity at rat dopamine transporter using [125I]-RTI-55 displacement.


J Med Chem 46: 1465-9 (2003)


Article DOI: 10.1021/jm020419v
BindingDB Entry DOI: 10.7270/Q2WQ035D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50126813
PNG
(1-(4-chlorobenzyl)-4-(2-(bis(4-fluorophenyl)methox...)
Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C27H28ClF2NO/c28-24-7-1-21(2-8-24)19-31-16-13-20(14-17-31)15-18-32-27(22-3-9-25(29)10-4-22)23-5-11-26(30)12-6-23/h1-12,20,27H,13-19H2
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Article
PubMed
1.20n/an/an/an/an/an/an/an/a



University Heights

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from DAT in rat brain synaptosomes


Bioorg Med Chem 15: 1146-59 (2006)


Article DOI: 10.1016/j.bmc.2006.09.070
BindingDB Entry DOI: 10.7270/Q2M61JXC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50126813
PNG
(1-(4-chlorobenzyl)-4-(2-(bis(4-fluorophenyl)methox...)
Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C27H28ClF2NO/c28-24-7-1-21(2-8-24)19-31-16-13-20(14-17-31)15-18-32-27(22-3-9-25(29)10-4-22)23-5-11-26(30)12-6-23/h1-12,20,27H,13-19H2
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PC sid
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Article
PubMed
238n/an/an/an/an/an/an/an/a



University Heights

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from SERT in rat brain synaptosomes


Bioorg Med Chem 15: 1146-59 (2006)


Article DOI: 10.1016/j.bmc.2006.09.070
BindingDB Entry DOI: 10.7270/Q2M61JXC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50126813
PNG
(1-(4-chlorobenzyl)-4-(2-(bis(4-fluorophenyl)methox...)
Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C27H28ClF2NO/c28-24-7-1-21(2-8-24)19-31-16-13-20(14-17-31)15-18-32-27(22-3-9-25(29)10-4-22)23-5-11-26(30)12-6-23/h1-12,20,27H,13-19H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
238n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity at rat serotonin transporter using [125I]-RTI-55 displacement.


J Med Chem 46: 1465-9 (2003)


Article DOI: 10.1021/jm020419v
BindingDB Entry DOI: 10.7270/Q2WQ035D
More data for this
Ligand-Target Pair