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PubMed code 11425531

Compile data set for download or QSAR
Found 2 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 dopamine transporter


(Homo sapiens (Human))
BDBM50101075
PNG
((2S,3S)-3-(3,4-Dichloro-phenyl)-2-methoxycarbonyl-...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N2C |THB:11:10:19:6.7,2:4:19:6.7|
Show InChI InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3/t10?,11-,14?,15+/m1/s1
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PC sid
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Similars

PubMed
n/an/a 1.10n/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability of the compound to inhibit human dopamine uptake by the human dopamine transporter in EM4 cells stably infected with Flag HA-hDAT


Bioorg Med Chem Lett 11: 1659-61 (2001)


BindingDB Entry DOI: 10.7270/Q27943Z6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50101076
PNG
((2S,3S)-3-(3,4-Dichloro-phenyl)-8-aza-bicyclo[3.2....)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N2 |THB:11:10:19:6.7,2:4:19:6.7|
Show InChI InChI=1S/C15H17Cl2NO2/c1-20-15(19)14-10(7-9-3-5-13(14)18-9)8-2-4-11(16)12(17)6-8/h2,4,6,9-10,13-14,18H,3,5,7H2,1H3/t9?,10-,13?,14+/m1/s1
NCI pathway
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KEGG

UniProtKB/SwissProt

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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.40n/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability of the compound to inhibit human dopamine uptake by the human dopamine transporter in EM4 cells stably infected with Flag HA-hDAT


Bioorg Med Chem Lett 11: 1659-61 (2001)


BindingDB Entry DOI: 10.7270/Q27943Z6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%