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Compile Data Set for Download or QSAR

Found 6 hits of non-affinity data for polymerid = 2274,49000824,49000826   
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 noradrenaline transporter


(Homo sapiens (Human))
BDBM35233
PNG
(3-(phenylsulfonyl)-1H-indole, 27a)
Show SMILES CN(C)CCc1ccc2[nH]cc(c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H20N2O2S/c1-20(2)11-10-14-8-9-17-16(12-14)18(13-19-17)23(21,22)15-6-4-3-5-7-15/h3-9,12-13,19H,10-11H2,1-2H3
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Article
PubMed
n/an/an/an/an/an/an/a7.437



Wyeth Research



Assay Description
IC50 Values were obtained from inhibition of norepinephrine uptake in MDCK-Net6 cells, stably transfected with the human NET.


Bioorg Med Chem 17: 7802-15 (2009)


Article DOI: 10.1016/j.bmc.2009.09.023
BindingDB Entry DOI: 10.7270/Q26Q1VK2
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM35235
PNG
(3-(phenylsulfonyl)-1H-indole, 27b)
Show SMILES CCN(C)CCc1ccc2[nH]cc(c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H22N2O2S/c1-3-21(2)12-11-15-9-10-18-17(13-15)19(14-20-18)24(22,23)16-7-5-4-6-8-16/h4-10,13-14,20H,3,11-12H2,1-2H3
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PC sid
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Article
PubMed
n/an/an/an/an/an/an/a7.437



Wyeth Research



Assay Description
IC50 Values were obtained from inhibition of norepinephrine uptake in MDCK-Net6 cells, stably transfected with the human NET.


Bioorg Med Chem 17: 7802-15 (2009)


Article DOI: 10.1016/j.bmc.2009.09.023
BindingDB Entry DOI: 10.7270/Q26Q1VK2
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM35239
PNG
(3-(phenylsulfonyl)-1H-indole, 28b)
Show SMILES CCN(C)CCc1cccc2c(c[nH]c12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H22N2O2S/c1-3-21(2)13-12-15-8-7-11-17-18(14-20-19(15)17)24(22,23)16-9-5-4-6-10-16/h4-11,14,20H,3,12-13H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

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GoogleScholar
PC cid
PC sid
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Article
PubMed
n/an/an/an/an/an/an/a7.437



Wyeth Research



Assay Description
IC50 Values were obtained from inhibition of norepinephrine uptake in MDCK-Net6 cells, stably transfected with the human NET.


Bioorg Med Chem 17: 7802-15 (2009)


Article DOI: 10.1016/j.bmc.2009.09.023
BindingDB Entry DOI: 10.7270/Q26Q1VK2
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM35237
PNG
(3-(phenylsulfonyl)-1H-indole, 26b)
Show SMILES CCN(C)CCc1ccc2c(c[nH]c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H22N2O2S/c1-3-21(2)12-11-15-9-10-17-18(13-15)20-14-19(17)24(22,23)16-7-5-4-6-8-16/h4-10,13-14,20H,3,11-12H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

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GoogleScholar
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/an/an/an/a7.437



Wyeth Research



Assay Description
IC50 Values were obtained from inhibition of norepinephrine uptake in MDCK-Net6 cells, stably transfected with the human NET.


Bioorg Med Chem 17: 7802-15 (2009)


Article DOI: 10.1016/j.bmc.2009.09.023
BindingDB Entry DOI: 10.7270/Q26Q1VK2
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM35238
PNG
(3-(phenylsulfonyl)-1H-indole, 28a)
Show SMILES CN(C)CCc1cccc2c(c[nH]c12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H20N2O2S/c1-20(2)12-11-14-7-6-10-16-17(13-19-18(14)16)23(21,22)15-8-4-3-5-9-15/h3-10,13,19H,11-12H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/an/an/an/a7.437



Wyeth Research



Assay Description
IC50 Values were obtained from inhibition of norepinephrine uptake in MDCK-Net6 cells, stably transfected with the human NET.


Bioorg Med Chem 17: 7802-15 (2009)


Article DOI: 10.1016/j.bmc.2009.09.023
BindingDB Entry DOI: 10.7270/Q26Q1VK2
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM35236
PNG
(3-(phenylsulfonyl)-1H-indole, 26a)
Show SMILES CN(C)CCc1ccc2c(c[nH]c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H20N2O2S/c1-20(2)11-10-14-8-9-16-17(12-14)19-13-18(16)23(21,22)15-6-4-3-5-7-15/h3-9,12-13,19H,10-11H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/an/an/an/a7.437



Wyeth Research



Assay Description
IC50 Values were obtained from inhibition of norepinephrine uptake in MDCK-Net6 cells, stably transfected with the human NET.


Bioorg Med Chem 17: 7802-15 (2009)


Article DOI: 10.1016/j.bmc.2009.09.023
BindingDB Entry DOI: 10.7270/Q26Q1VK2
More data for this
Ligand-Target Pair