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PubMed code 16451060

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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 serotonin transporter


(Homo sapiens (Human))		BDBM50139957
PNG
(2beta-carbomethoxy-3beta-[4'-((Z)-2-iodoethenyl)ph...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(\C=C/I)cc1)N2 |THB:2:4:20:6.7|
Show InChI InChI=1S/C17H20INO2/c1-21-17(20)16-14(10-13-6-7-15(16)19-13)12-4-2-11(3-5-12)8-9-18/h2-5,8-9,13-16,19H,6-7,10H2,1H3/b9-8-
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Article
PubMed
 0.0400n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT

J Med Chem 49: 942-6 (2006)


Article DOI: 10.1021/jm050799v
BindingDB Entry DOI: 10.7270/Q2RV0N8H
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50139957
PNG
(2beta-carbomethoxy-3beta-[4'-((Z)-2-iodoethenyl)ph...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(\C=C/I)cc1)N2 |THB:2:4:20:6.7|
Show InChI InChI=1S/C17H20INO2/c1-21-17(20)16-14(10-13-6-7-15(16)19-13)12-4-2-11(3-5-12)8-9-18/h2-5,8-9,13-16,19H,6-7,10H2,1H3/b9-8-
NCI pathway
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Article
PubMed
 6n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [123I]RTI-55 from DAT

J Med Chem 49: 942-6 (2006)


Article DOI: 10.1021/jm050799v
BindingDB Entry DOI: 10.7270/Q2RV0N8H
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50139957
PNG
(2beta-carbomethoxy-3beta-[4'-((Z)-2-iodoethenyl)ph...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(\C=C/I)cc1)N2 |THB:2:4:20:6.7|
Show InChI InChI=1S/C17H20INO2/c1-21-17(20)16-14(10-13-6-7-15(16)19-13)12-4-2-11(3-5-12)8-9-18/h2-5,8-9,13-16,19H,6-7,10H2,1H3/b9-8-
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
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PC cid
PC sid
UniChem

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Similars
Article
PubMed
 15n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET

J Med Chem 49: 942-6 (2006)


Article DOI: 10.1021/jm050799v
BindingDB Entry DOI: 10.7270/Q2RV0N8H
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%