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Compile Data Set for Download or QSAR

Found 11 hits of ic50 for monomerid = 50319578   
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))
BDBM50319578
PNG
((2S)-(4-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benz...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O |r|
Show InChI InChI=1S/C17H20FN3O3S/c1-19-12-13(22)10-11-20-16-8-4-5-9-17(16)21(25(20,23)24)15-7-3-2-6-14(15)18/h2-9,13,19,22H,10-12H2,1H3/t13-/m0/s1
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PubMed
n/an/a 1n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human NET-mediated norepinephrine uptake in MDCK-Net6 cells


J Med Chem 53: 4511-21 (2010)


Article DOI: 10.1021/jm100053t
BindingDB Entry DOI: 10.7270/Q2PC32JR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50319578
PNG
((2S)-(4-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benz...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O |r|
Show InChI InChI=1S/C17H20FN3O3S/c1-19-12-13(22)10-11-20-16-8-4-5-9-17(16)21(25(20,23)24)15-7-3-2-6-14(15)18/h2-9,13,19,22H,10-12H2,1H3/t13-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cells


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50319578
PNG
((2S)-(4-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benz...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O |r|
Show InChI InChI=1S/C17H20FN3O3S/c1-19-12-13(22)10-11-20-16-8-4-5-9-17(16)21(25(20,23)24)15-7-3-2-6-14(15)18/h2-9,13,19,22H,10-12H2,1H3/t13-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cells


J Med Chem 53: 4511-21 (2010)


Article DOI: 10.1021/jm100053t
BindingDB Entry DOI: 10.7270/Q2PC32JR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50319578
PNG
((2S)-(4-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benz...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O |r|
Show InChI InChI=1S/C17H20FN3O3S/c1-19-12-13(22)10-11-20-16-8-4-5-9-17(16)21(25(20,23)24)15-7-3-2-6-14(15)18/h2-9,13,19,22H,10-12H2,1H3/t13-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in MDCK-Net6 cells assessed as inhibition of norepinephrine uptake


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50319578
PNG
((2S)-(4-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benz...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O |r|
Show InChI InChI=1S/C17H20FN3O3S/c1-19-12-13(22)10-11-20-16-8-4-5-9-17(16)21(25(20,23)24)15-7-3-2-6-14(15)18/h2-9,13,19,22H,10-12H2,1H3/t13-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cells


J Med Chem 53: 4511-21 (2010)


Article DOI: 10.1021/jm100053t
BindingDB Entry DOI: 10.7270/Q2PC32JR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50319578
PNG
((2S)-(4-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benz...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O |r|
Show InChI InChI=1S/C17H20FN3O3S/c1-19-12-13(22)10-11-20-16-8-4-5-9-17(16)21(25(20,23)24)15-7-3-2-6-14(15)18/h2-9,13,19,22H,10-12H2,1H3/t13-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human NET-mediated norepinephrine uptake in MDCK-Net6 cells


J Med Chem 53: 4511-21 (2010)


Article DOI: 10.1021/jm100053t
BindingDB Entry DOI: 10.7270/Q2PC32JR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50319578
PNG
((2S)-(4-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benz...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O |r|
Show InChI InChI=1S/C17H20FN3O3S/c1-19-12-13(22)10-11-20-16-8-4-5-9-17(16)21(25(20,23)24)15-7-3-2-6-14(15)18/h2-9,13,19,22H,10-12H2,1H3/t13-/m0/s1
NCI pathway
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n/an/a 2.11E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN-35428 from human DAT expressed in CHO cells


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50319578
PNG
((2S)-(4-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benz...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O |r|
Show InChI InChI=1S/C17H20FN3O3S/c1-19-12-13(22)10-11-20-16-8-4-5-9-17(16)21(25(20,23)24)15-7-3-2-6-14(15)18/h2-9,13,19,22H,10-12H2,1H3/t13-/m0/s1
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n/an/a 3.38E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SERT expressed in JAR cells assessed as serotonin uptake


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50319578
PNG
((2S)-(4-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benz...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O |r|
Show InChI InChI=1S/C17H20FN3O3S/c1-19-12-13(22)10-11-20-16-8-4-5-9-17(16)21(25(20,23)24)15-7-3-2-6-14(15)18/h2-9,13,19,22H,10-12H2,1H3/t13-/m0/s1
NCI pathway
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n/an/a 3.62E+3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from human recombinant DAT expressed in CHO cells


J Med Chem 53: 4511-21 (2010)


Article DOI: 10.1021/jm100053t
BindingDB Entry DOI: 10.7270/Q2PC32JR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50319578
PNG
((2S)-(4-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benz...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O |r|
Show InChI InChI=1S/C17H20FN3O3S/c1-19-12-13(22)10-11-20-16-8-4-5-9-17(16)21(25(20,23)24)15-7-3-2-6-14(15)18/h2-9,13,19,22H,10-12H2,1H3/t13-/m0/s1
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PubMed
n/an/a 4.59E+3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of SERT-mediated serotonin uptake in human JAR cells


J Med Chem 53: 4511-21 (2010)


Article DOI: 10.1021/jm100053t
BindingDB Entry DOI: 10.7270/Q2PC32JR
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50319578
PNG
((2S)-(4-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benz...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O |r|
Show InChI InChI=1S/C17H20FN3O3S/c1-19-12-13(22)10-11-20-16-8-4-5-9-17(16)21(25(20,23)24)15-7-3-2-6-14(15)18/h2-9,13,19,22H,10-12H2,1H3/t13-/m0/s1
PDB
MMDB

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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 53: 4511-21 (2010)


Article DOI: 10.1021/jm100053t
BindingDB Entry DOI: 10.7270/Q2PC32JR
More data for this
Ligand-Target Pair