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PubMed code 20462211

Compile data set for download or QSAR
Found 92 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 noradrenaline transporter


(Homo sapiens (human))
BDBM35229
PNG
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)
Show SMILES CNCCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
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PubMed
2.10n/an/an/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))
BDBM35229
PNG
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)
Show SMILES CNCCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
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PubMed
3.40n/an/an/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))
BDBM50005536
PNG
(42-548 | 5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidaz...)
Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2
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22.1n/an/an/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 noradrenaline transporter


(Homo sapiens (human))
BDBM50319577
PNG
(3-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benzothiad...)
Show SMILES CNCCCN1c2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C16H18FN3O2S/c1-18-11-6-12-19-15-9-4-5-10-16(15)20(23(19,21)22)14-8-3-2-7-13(14)17/h2-5,7-10,18H,6,11-12H2,1H3
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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
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 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))
BDBM50319582
PNG
(4-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benzothiad...)
Show SMILES CNCCCCN1c2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C17H20FN3O2S/c1-19-12-6-7-13-20-16-10-4-5-11-17(16)21(24(20,22)23)15-9-3-2-8-14(15)18/h2-5,8-11,19H,6-7,12-13H2,1H3
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n/an/a 1.10n/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))
BDBM50319576
PNG
(4-(2,2-Dioxido-3-phenyl-2,1,3-benzothiadiazol-1(3H...)
Show SMILES CNCC(=O)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C17H18FN3O3S/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/h2-9,19H,10-12H2,1H3
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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))
BDBM50319575
PNG
((2S)-(4-[3-(2,5-Difluorophenyl)-2,2-dioxido-2,1,3-...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2cc(F)ccc2F)S1(=O)=O
Show InChI InChI=1S/C17H19F2N3O3S/c1-20-11-13(23)8-9-21-15-4-2-3-5-16(15)22(26(21,24)25)17-10-12(18)6-7-14(17)19/h2-7,10,13,20,23H,8-9,11H2,1H3/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))
BDBM50319580
PNG
((2S)-4-(2,2-Dioxido-3-phenyl-2,1,3-benzothiadiazol...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2ccccc2)S1(=O)=O
Show InChI InChI=1S/C17H21N3O3S/c1-18-13-15(21)11-12-19-16-9-5-6-10-17(16)20(24(19,22)23)14-7-3-2-4-8-14/h2-10,15,18,21H,11-13H2,1H3/t15-/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
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))
BDBM50319587
PNG
(CHEMBL1084042 | {3-[3-(2-Fluoro-phenyl)-2,2-dioxo-...)
Show SMILES CNCCC(C)N1c2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C17H20FN3O2S/c1-13(11-12-19-2)20-16-9-5-6-10-17(16)21(24(20,22)23)15-8-4-3-7-14(15)18/h3-10,13,19H,11-12H2,1-2H3
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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))
BDBM50319581
PNG
((2S)-(4-[3-(2,6-Difluorophenyl)-2,2-dioxido-2,1,3-...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2c(F)cccc2F)S1(=O)=O
Show InChI InChI=1S/C17H19F2N3O3S/c1-20-11-12(23)9-10-21-15-7-2-3-8-16(15)22(26(21,24)25)17-13(18)5-4-6-14(17)19/h2-8,12,20,23H,9-11H2,1H3/t12-/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))
BDBM50319579
PNG
(4-(2,2-Dioxido-3-phenyl-2,1,3-benzothiadiazol-1(3H...)
Show SMILES CNCC(O)CCN1c2ccccc2N(c2ccccc2)S1(=O)=O
Show InChI InChI=1S/C17H21N3O3S/c1-18-13-15(21)11-12-19-16-9-5-6-10-17(16)20(24(19,22)23)14-7-3-2-4-8-14/h2-10,15,18,21H,11-13H2,1H3
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n/an/a 2n/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))
BDBM50319577
PNG
(3-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benzothiad...)
Show SMILES CNCCCN1c2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C16H18FN3O2S/c1-18-11-6-12-19-15-9-4-5-10-16(15)20(23(19,21)22)14-8-3-2-7-13(14)17/h2-5,7-10,18H,6,11-12H2,1H3
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n/an/a 2.70n/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))
BDBM50319583
PNG
((2R)-(4-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benz...)
Show SMILES CNC[C@H](O)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O
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-/m1/s1
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n/an/a 3n/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))
BDBM50319575
PNG
((2S)-(4-[3-(2,5-Difluorophenyl)-2,2-dioxido-2,1,3-...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2cc(F)ccc2F)S1(=O)=O
Show InChI InChI=1S/C17H19F2N3O3S/c1-20-11-13(23)8-9-21-15-4-2-3-5-16(15)22(26(21,24)25)17-10-12(18)6-7-14(17)19/h2-7,10,13,20,23H,8-9,11H2,1H3/t13-/m0/s1
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n/an/a 3n/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))
BDBM50319585
PNG
((2R)-4-(2,2-Dioxido-3-phenyl-2,1,3-benzothiadiazol...)
Show SMILES CNC[C@H](O)CCN1c2ccccc2N(c2ccccc2)S1(=O)=O
Show InChI InChI=1S/C17H21N3O3S/c1-18-13-15(21)11-12-19-16-9-5-6-10-17(16)20(24(19,22)23)14-7-3-2-4-8-14/h2-10,15,18,21H,11-13H2,1H3/t15-/m1/s1
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n/an/a 3n/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))
BDBM50319581
PNG
((2S)-(4-[3-(2,6-Difluorophenyl)-2,2-dioxido-2,1,3-...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2c(F)cccc2F)S1(=O)=O
Show InChI InChI=1S/C17H19F2N3O3S/c1-20-11-12(23)9-10-21-15-7-2-3-8-16(15)22(26(21,24)25)17-13(18)5-4-6-14(17)19/h2-8,12,20,23H,9-11H2,1H3/t12-/m0/s1
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n/an/a 4n/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))
BDBM50319580
PNG
((2S)-4-(2,2-Dioxido-3-phenyl-2,1,3-benzothiadiazol...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2ccccc2)S1(=O)=O
Show InChI InChI=1S/C17H21N3O3S/c1-18-13-15(21)11-12-19-16-9-5-6-10-17(16)20(24(19,22)23)14-7-3-2-4-8-14/h2-10,15,18,21H,11-13H2,1H3/t15-/m0/s1
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n/an/a 4n/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))
BDBM50319583
PNG
((2R)-(4-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benz...)
Show SMILES CNC[C@H](O)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O
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-/m1/s1
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n/an/a 4n/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))
BDBM50319582
PNG
(4-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benzothiad...)
Show SMILES CNCCCCN1c2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C17H20FN3O2S/c1-19-12-6-7-13-20-16-10-4-5-11-17(16)21(24(20,22)23)15-9-3-2-8-14(15)18/h2-5,8-11,19H,6-7,12-13H2,1H3
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n/an/a 4.5n/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))
BDBM50319602
PNG
(3-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benzothiad...)
Show SMILES CNC(C)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C17H20FN3O2S/c1-13(19-2)11-12-20-16-9-5-6-10-17(16)21(24(20,22)23)15-8-4-3-7-14(15)18/h3-10,13,19H,11-12H2,1-2H3
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n/an/a 5n/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))
BDBM50319576
PNG
(4-(2,2-Dioxido-3-phenyl-2,1,3-benzothiadiazol-1(3H...)
Show SMILES CNCC(=O)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C17H18FN3O3S/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/h2-9,19H,10-12H2,1H3
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n/an/a 5.10n/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 noradrenaline transporter


(Homo sapiens (human))
BDBM50319586
PNG
((2R)-(4-[3-(2,6-Difluorophenyl)-2,2-dioxido-2,1,3-...)
Show SMILES CNC[C@H](O)CCN1c2ccccc2N(c2c(F)cccc2F)S1(=O)=O
Show InChI InChI=1S/C17H19F2N3O3S/c1-20-11-12(23)9-10-21-15-7-2-3-8-16(15)22(26(21,24)25)17-13(18)5-4-6-14(17)19/h2-8,12,20,23H,9-11H2,1H3/t12-/m1/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
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))
BDBM50319587
PNG
(CHEMBL1084042 | {3-[3-(2-Fluoro-phenyl)-2,2-dioxo-...)
Show SMILES CNCCC(C)N1c2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C17H20FN3O2S/c1-13(11-12-19-2)20-16-9-5-6-10-17(16)21(24(20,22)23)15-8-4-3-7-14(15)18/h3-10,13,19H,11-12H2,1-2H3
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n/an/a 7n/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))
BDBM50319590
PNG
((2S)-(4-[3-(2-Chlorophenyl)-2,2-dioxido-2,1,3-benz...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2ccccc2Cl)S1(=O)=O
Show InChI InChI=1S/C17H20ClN3O3S/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 8n/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))
BDBM50319585
PNG
((2R)-4-(2,2-Dioxido-3-phenyl-2,1,3-benzothiadiazol...)
Show SMILES CNC[C@H](O)CCN1c2ccccc2N(c2ccccc2)S1(=O)=O
Show InChI InChI=1S/C17H21N3O3S/c1-18-13-15(21)11-12-19-16-9-5-6-10-17(16)20(24(19,22)23)14-7-3-2-4-8-14/h2-10,15,18,21H,11-13H2,1H3/t15-/m1/s1
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n/an/a 9n/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))
BDBM50319588
PNG
(1-(Cyclopropylamino)-4-(2,2-dioxido-3-phenyl-2,1,3...)
Show SMILES OC(CCN1c2ccccc2N(c2ccccc2)S1(=O)=O)CNC1CC1
Show InChI InChI=1S/C19H23N3O3S/c23-17(14-20-15-10-11-15)12-13-21-18-8-4-5-9-19(18)22(26(21,24)25)16-6-2-1-3-7-16/h1-9,15,17,20,23H,10-14H2
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n/an/a 9n/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))
BDBM50319586
PNG
((2R)-(4-[3-(2,6-Difluorophenyl)-2,2-dioxido-2,1,3-...)
Show SMILES CNC[C@H](O)CCN1c2ccccc2N(c2c(F)cccc2F)S1(=O)=O
Show InChI InChI=1S/C17H19F2N3O3S/c1-20-11-12(23)9-10-21-15-7-2-3-8-16(15)22(26(21,24)25)17-13(18)5-4-6-14(17)19/h2-8,12,20,23H,9-11H2,1H3/t12-/m1/s1
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n/an/a 9n/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
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM30130
PNG
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)
Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
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n/an/a 9.40n/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
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
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 noradrenaline transporter


(Homo sapiens (human))
BDBM50319584
PNG
((2R)-(4-[3-(2,5-Difluorophenyl)-2,2-dioxido-2,1,3-...)
Show SMILES CNC[C@H](O)CCN1c2ccccc2N(c2cc(F)ccc2F)S1(=O)=O
Show InChI InChI=1S/C17H19F2N3O3S/c1-20-11-13(23)8-9-21-15-4-2-3-5-16(15)22(26(21,24)25)17-10-12(18)6-7-14(17)19/h2-7,10,13,20,23H,8-9,11H2,1H3/t13-/m1/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 noradrenaline transporter


(Homo sapiens (human))
BDBM50319593
PNG
((2S)-(4-[3-(2,4-Difluorophenyl)-2,2-dioxido-2,1,3-...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2ccc(F)cc2F)S1(=O)=O
Show InChI InChI=1S/C17H19F2N3O3S/c1-20-11-13(23)8-9-21-16-4-2-3-5-17(16)22(26(21,24)25)15-7-6-12(18)10-14(15)19/h2-7,10,13,20,23H,8-9,11H2,1H3/t13-/m0/s1
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n/an/a 18n/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))
BDBM50319589
PNG
((2S)-(4-[3-(3-Methoxyphenyl)-2,2-dioxido-2,1,3-ben...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2cccc(OC)c2)S1(=O)=O
Show InChI InChI=1S/C18H23N3O4S/c1-19-13-15(22)10-11-20-17-8-3-4-9-18(17)21(26(20,23)24)14-6-5-7-16(12-14)25-2/h3-9,12,15,19,22H,10-11,13H2,1-2H3/t15-/m0/s1
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n/an/a 19n/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))
BDBM50319593
PNG
((2S)-(4-[3-(2,4-Difluorophenyl)-2,2-dioxido-2,1,3-...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2ccc(F)cc2F)S1(=O)=O
Show InChI InChI=1S/C17H19F2N3O3S/c1-20-11-13(23)8-9-21-16-4-2-3-5-17(16)22(26(21,24)25)15-7-6-12(18)10-14(15)19/h2-7,10,13,20,23H,8-9,11H2,1H3/t13-/m0/s1
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n/an/a 19n/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))
BDBM50319596
PNG
((2S)-(4-[3-(2-Methylphenyl)-2,2-dioxido-2,1,3-benz...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2ccccc2C)S1(=O)=O
Show InChI InChI=1S/C18H23N3O3S/c1-14-7-3-4-8-16(14)21-18-10-6-5-9-17(18)20(25(21,23)24)12-11-15(22)13-19-2/h3-10,15,19,22H,11-13H2,1-2H3/t15-/m0/s1
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n/an/a 22n/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))
BDBM50319589
PNG
((2S)-(4-[3-(3-Methoxyphenyl)-2,2-dioxido-2,1,3-ben...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2cccc(OC)c2)S1(=O)=O
Show InChI InChI=1S/C18H23N3O4S/c1-19-13-15(22)10-11-20-17-8-3-4-9-18(17)21(26(20,23)24)14-6-5-7-16(12-14)25-2/h3-9,12,15,19,22H,10-11,13H2,1-2H3/t15-/m0/s1
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n/an/a 25n/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))
BDBM50319590
PNG
((2S)-(4-[3-(2-Chlorophenyl)-2,2-dioxido-2,1,3-benz...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2ccccc2Cl)S1(=O)=O
Show InChI InChI=1S/C17H20ClN3O3S/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 28n/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))
BDBM50319584
PNG
((2R)-(4-[3-(2,5-Difluorophenyl)-2,2-dioxido-2,1,3-...)
Show SMILES CNC[C@H](O)CCN1c2ccccc2N(c2cc(F)ccc2F)S1(=O)=O
Show InChI InChI=1S/C17H19F2N3O3S/c1-20-11-13(23)8-9-21-15-4-2-3-5-16(15)22(26(21,24)25)17-10-12(18)6-7-14(17)19/h2-7,10,13,20,23H,8-9,11H2,1H3/t13-/m1/s1
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n/an/a 34n/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))
BDBM50319595
PNG
((2S)-(4-[3-(3,4-Difluorophenyl)-2,2-dioxido-2,1,3-...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2ccc(F)c(F)c2)S1(=O)=O
Show InChI InChI=1S/C17H19F2N3O3S/c1-20-11-13(23)8-9-21-16-4-2-3-5-17(16)22(26(21,24)25)12-6-7-14(18)15(19)10-12/h2-7,10,13,20,23H,8-9,11H2,1H3/t13-/m0/s1
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n/an/a 36n/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))
BDBM50319595
PNG
((2S)-(4-[3-(3,4-Difluorophenyl)-2,2-dioxido-2,1,3-...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2ccc(F)c(F)c2)S1(=O)=O
Show InChI InChI=1S/C17H19F2N3O3S/c1-20-11-13(23)8-9-21-16-4-2-3-5-17(16)22(26(21,24)25)12-6-7-14(18)15(19)10-12/h2-7,10,13,20,23H,8-9,11H2,1H3/t13-/m0/s1
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n/an/a 43n/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))
BDBM50319594
PNG
((2R)-(4-[3-(2-Chlorophenyl)-2,2-dioxido-2,1,3-benz...)
Show SMILES CNC[C@H](O)CCN1c2ccccc2N(c2ccccc2Cl)S1(=O)=O
Show InChI InChI=1S/C17H20ClN3O3S/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-/m1/s1
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n/an/a 48n/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))
BDBM50319599
PNG
((2S)-(4-[3-(4-Fluorophenyl)-2,2-dioxido-2,1,3-benz...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2ccc(F)cc2)S1(=O)=O
Show InChI InChI=1S/C17H20FN3O3S/c1-19-12-15(22)10-11-20-16-4-2-3-5-17(16)21(25(20,23)24)14-8-6-13(18)7-9-14/h2-9,15,19,22H,10-12H2,1H3/t15-/m0/s1
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n/an/a 51n/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))
BDBM50319604
PNG
((2R)-3-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benzo...)
Show SMILES CNC[C@@H](C)CN1c2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C17H20FN3O2S/c1-13(11-19-2)12-20-16-9-5-6-10-17(16)21(24(20,22)23)15-8-4-3-7-14(15)18/h3-10,13,19H,11-12H2,1-2H3/t13-/m1/s1
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n/an/a 57n/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))
BDBM50319594
PNG
((2R)-(4-[3-(2-Chlorophenyl)-2,2-dioxido-2,1,3-benz...)
Show SMILES CNC[C@H](O)CCN1c2ccccc2N(c2ccccc2Cl)S1(=O)=O
Show InChI InChI=1S/C17H20ClN3O3S/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-/m1/s1
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n/an/a 61n/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))
BDBM50319596
PNG
((2S)-(4-[3-(2-Methylphenyl)-2,2-dioxido-2,1,3-benz...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2ccccc2C)S1(=O)=O
Show InChI InChI=1S/C18H23N3O3S/c1-14-7-3-4-8-16(14)21-18-10-6-5-9-17(18)20(25(21,23)24)12-11-15(22)13-19-2/h3-10,15,19,22H,11-13H2,1-2H3/t15-/m0/s1
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n/an/a 64n/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))
BDBM50319602
PNG
(3-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benzothiad...)
Show SMILES CNC(C)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C17H20FN3O2S/c1-13(19-2)11-12-20-16-9-5-6-10-17(16)21(24(20,22)23)15-8-4-3-7-14(15)18/h3-10,13,19H,11-12H2,1-2H3
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n/an/a 72n/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))
BDBM50319597
PNG
((2R)-(4-[3-(3-Methoxyphenyl)-2,2-dioxido-2,1,3-ben...)
Show SMILES CNC[C@H](O)CCN1c2ccccc2N(c2cccc(OC)c2)S1(=O)=O
Show InChI InChI=1S/C18H23N3O4S/c1-19-13-15(22)10-11-20-17-8-3-4-9-18(17)21(26(20,23)24)14-6-5-7-16(12-14)25-2/h3-9,12,15,19,22H,10-11,13H2,1-2H3/t15-/m1/s1
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n/an/a 80n/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))
BDBM50319600
PNG
(2,2-Difluoro-3-[3-(2-fluorophenyl)-2,2-dioxido-2,1...)
Show SMILES CNCC(F)(F)CN1c2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C16H16F3N3O2S/c1-20-10-16(18,19)11-21-14-8-4-5-9-15(14)22(25(21,23)24)13-7-3-2-6-12(13)17/h2-9,20H,10-11H2,1H3
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n/an/a 94n/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))
BDBM50319592
PNG
((2R)-(4-[3-(2,4-Difluorophenyl)-2,2-dioxido-2,1,3-...)
Show SMILES CNC[C@H](O)CCN1c2ccccc2N(c2ccc(F)cc2F)S1(=O)=O
Show InChI InChI=1S/C17H19F2N3O3S/c1-20-11-13(23)8-9-21-16-4-2-3-5-17(16)22(26(21,24)25)15-7-6-12(18)10-14(15)19/h2-7,10,13,20,23H,8-9,11H2,1H3/t13-/m1/s1
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n/an/a 100n/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))
BDBM50319592
PNG
((2R)-(4-[3-(2,4-Difluorophenyl)-2,2-dioxido-2,1,3-...)
Show SMILES CNC[C@H](O)CCN1c2ccccc2N(c2ccc(F)cc2F)S1(=O)=O
Show InChI InChI=1S/C17H19F2N3O3S/c1-20-11-13(23)8-9-21-16-4-2-3-5-17(16)22(26(21,24)25)15-7-6-12(18)10-14(15)19/h2-7,10,13,20,23H,8-9,11H2,1H3/t13-/m1/s1
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n/an/a 109n/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))
BDBM50319597
PNG
((2R)-(4-[3-(3-Methoxyphenyl)-2,2-dioxido-2,1,3-ben...)
Show SMILES CNC[C@H](O)CCN1c2ccccc2N(c2cccc(OC)c2)S1(=O)=O
Show InChI InChI=1S/C18H23N3O4S/c1-19-13-15(22)10-11-20-17-8-3-4-9-18(17)21(26(20,23)24)14-6-5-7-16(12-14)25-2/h3-9,12,15,19,22H,10-11,13H2,1-2H3/t15-/m1/s1
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n/an/a 143n/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))
BDBM50319599
PNG
((2S)-(4-[3-(4-Fluorophenyl)-2,2-dioxido-2,1,3-benz...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2ccc(F)cc2)S1(=O)=O
Show InChI InChI=1S/C17H20FN3O3S/c1-19-12-15(22)10-11-20-16-4-2-3-5-17(16)21(25(20,23)24)14-8-6-13(18)7-9-14/h2-9,15,19,22H,10-12H2,1H3/t15-/m0/s1
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n/an/a 146n/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))
BDBM50319591
PNG
((2R)-(4-[3-(2-Methylphenyl)-2,2-dioxido-2,1,3-benz...)
Show SMILES CNC[C@H](O)CCN1c2ccccc2N(c2ccccc2C)S1(=O)=O
Show InChI InChI=1S/C18H23N3O3S/c1-14-7-3-4-8-16(14)21-18-10-6-5-9-17(18)20(25(21,23)24)12-11-15(22)13-19-2/h3-10,15,19,22H,11-13H2,1-2H3/t15-/m1/s1
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n/an/a 155n/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))
BDBM50319603
PNG
(4-(2,2-Dioxido-3-phenyl-2,1,3-benzothiadiazol-1(3H...)
Show SMILES CCNCC(O)CCN1c2ccccc2N(c2ccccc2)S1(=O)=O
Show InChI InChI=1S/C18H23N3O3S/c1-2-19-14-16(22)12-13-20-17-10-6-7-11-18(17)21(25(20,23)24)15-8-4-3-5-9-15/h3-11,16,19,22H,2,12-14H2,1H3
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n/an/a 196n/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))
BDBM50319600
PNG
(2,2-Difluoro-3-[3-(2-fluorophenyl)-2,2-dioxido-2,1...)
Show SMILES CNCC(F)(F)CN1c2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C16H16F3N3O2S/c1-20-10-16(18,19)11-21-14-8-4-5-9-15(14)22(25(21,23)24)13-7-3-2-6-12(13)17/h2-9,20H,10-11H2,1H3
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n/an/a 238n/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))
BDBM50319601
PNG
((2R)-(4-[3-(4-Fluorophenyl)-2,2-dioxido-2,1,3-benz...)
Show SMILES CNC[C@H](O)CCN1c2ccccc2N(c2ccc(F)cc2)S1(=O)=O
Show InChI InChI=1S/C17H20FN3O3S/c1-19-12-15(22)10-11-20-16-4-2-3-5-17(16)21(25(20,23)24)14-8-6-13(18)7-9-14/h2-9,15,19,22H,10-12H2,1H3/t15-/m1/s1
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n/an/a 244n/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 dopamine transporter


(Homo sapiens (human))
BDBM50319601
PNG
((2R)-(4-[3-(4-Fluorophenyl)-2,2-dioxido-2,1,3-benz...)
Show SMILES CNC[C@H](O)CCN1c2ccccc2N(c2ccc(F)cc2)S1(=O)=O
Show InChI InChI=1S/C17H20FN3O3S/c1-19-12-15(22)10-11-20-16-4-2-3-5-17(16)21(25(20,23)24)14-8-6-13(18)7-9-14/h2-9,15,19,22H,10-12H2,1H3/t15-/m1/s1
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n/an/a 262n/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 dopamine transporter


(Homo sapiens (human))
BDBM50319597
PNG
((2R)-(4-[3-(3-Methoxyphenyl)-2,2-dioxido-2,1,3-ben...)
Show SMILES CNC[C@H](O)CCN1c2ccccc2N(c2cccc(OC)c2)S1(=O)=O
Show InChI InChI=1S/C18H23N3O4S/c1-19-13-15(22)10-11-20-17-8-3-4-9-18(17)21(26(20,23)24)14-6-5-7-16(12-14)25-2/h3-9,12,15,19,22H,10-11,13H2,1-2H3/t15-/m1/s1
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n/an/a 267n/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 noradrenaline transporter


(Homo sapiens (human))
BDBM50319598
PNG
((2R)-(4-[3-(3,4-Difluorophenyl)-2,2-dioxido-2,1,3-...)
Show SMILES CNC[C@H](O)CCN1c2ccccc2N(c2ccc(F)c(F)c2)S1(=O)=O
Show InChI InChI=1S/C17H19F2N3O3S/c1-20-11-13(23)8-9-21-16-4-2-3-5-17(16)22(26(21,24)25)12-6-7-14(18)15(19)10-12/h2-7,10,13,20,23H,8-9,11H2,1H3/t13-/m1/s1
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n/an/a 277n/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 dopamine transporter


(Homo sapiens (human))
BDBM50319598
PNG
((2R)-(4-[3-(3,4-Difluorophenyl)-2,2-dioxido-2,1,3-...)
Show SMILES CNC[C@H](O)CCN1c2ccccc2N(c2ccc(F)c(F)c2)S1(=O)=O
Show InChI InChI=1S/C17H19F2N3O3S/c1-20-11-13(23)8-9-21-16-4-2-3-5-17(16)22(26(21,24)25)12-6-7-14(18)15(19)10-12/h2-7,10,13,20,23H,8-9,11H2,1H3/t13-/m1/s1
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n/an/a 291n/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 noradrenaline transporter


(Homo sapiens (human))
BDBM50319591
PNG
((2R)-(4-[3-(2-Methylphenyl)-2,2-dioxido-2,1,3-benz...)
Show SMILES CNC[C@H](O)CCN1c2ccccc2N(c2ccccc2C)S1(=O)=O
Show InChI InChI=1S/C18H23N3O3S/c1-14-7-3-4-8-16(14)21-18-10-6-5-9-17(18)20(25(21,23)24)12-11-15(22)13-19-2/h3-10,15,19,22H,11-13H2,1-2H3/t15-/m1/s1
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n/an/a 294n/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))
BDBM50319604
PNG
((2R)-3-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benzo...)
Show SMILES CNC[C@@H](C)CN1c2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C17H20FN3O2S/c1-13(11-19-2)12-20-16-9-5-6-10-17(16)21(24(20,22)23)15-8-4-3-7-14(15)18/h3-10,13,19H,11-12H2,1-2H3/t13-/m1/s1
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n/an/a 305n/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))
BDBM50319601
PNG
((2R)-(4-[3-(4-Fluorophenyl)-2,2-dioxido-2,1,3-benz...)
Show SMILES CNC[C@H](O)CCN1c2ccccc2N(c2ccc(F)cc2)S1(=O)=O
Show InChI InChI=1S/C17H20FN3O3S/c1-19-12-15(22)10-11-20-16-4-2-3-5-17(16)21(25(20,23)24)14-8-6-13(18)7-9-14/h2-9,15,19,22H,10-12H2,1H3/t15-/m1/s1
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n/an/a 328n/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))
BDBM50319599
PNG
((2S)-(4-[3-(4-Fluorophenyl)-2,2-dioxido-2,1,3-benz...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2ccc(F)cc2)S1(=O)=O
Show InChI InChI=1S/C17H20FN3O3S/c1-19-12-15(22)10-11-20-16-4-2-3-5-17(16)21(25(20,23)24)14-8-6-13(18)7-9-14/h2-9,15,19,22H,10-12H2,1H3/t15-/m0/s1
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n/an/a 386n/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 noradrenaline transporter


(Homo sapiens (human))
BDBM50319598
PNG
((2R)-(4-[3-(3,4-Difluorophenyl)-2,2-dioxido-2,1,3-...)
Show SMILES CNC[C@H](O)CCN1c2ccccc2N(c2ccc(F)c(F)c2)S1(=O)=O
Show InChI InChI=1S/C17H19F2N3O3S/c1-20-11-13(23)8-9-21-16-4-2-3-5-17(16)22(26(21,24)25)12-6-7-14(18)15(19)10-12/h2-7,10,13,20,23H,8-9,11H2,1H3/t13-/m1/s1
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n/an/a 394n/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))
BDBM50319606
PNG
((2S)-3-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benzo...)
Show SMILES CNC[C@H](C)CN1c2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C17H20FN3O2S/c1-13(11-19-2)12-20-16-9-5-6-10-17(16)21(24(20,22)23)15-8-4-3-7-14(15)18/h3-10,13,19H,11-12H2,1-2H3/t13-/m0/s1
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n/an/a 441n/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))
BDBM50319605
PNG
(1-(Dimethylamino)-4-(2,2-dioxido-3-phenyl-2,1,3-be...)
Show SMILES CN(C)CC(O)CCN1c2ccccc2N(c2ccccc2)S1(=O)=O
Show InChI InChI=1S/C18H23N3O3S/c1-19(2)14-16(22)12-13-20-17-10-6-7-11-18(17)21(25(20,23)24)15-8-4-3-5-9-15/h3-11,16,22H,12-14H2,1-2H3
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n/an/a 481n/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))
BDBM50319584
PNG
((2R)-(4-[3-(2,5-Difluorophenyl)-2,2-dioxido-2,1,3-...)
Show SMILES CNC[C@H](O)CCN1c2ccccc2N(c2cc(F)ccc2F)S1(=O)=O
Show InChI InChI=1S/C17H19F2N3O3S/c1-20-11-13(23)8-9-21-15-4-2-3-5-16(15)22(26(21,24)25)17-10-12(18)6-7-14(17)19/h2-7,10,13,20,23H,8-9,11H2,1H3/t13-/m1/s1
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n/an/a 509n/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 dopamine transporter


(Homo sapiens (human))
BDBM50319577
PNG
(3-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benzothiad...)
Show SMILES CNCCCN1c2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C16H18FN3O2S/c1-18-11-6-12-19-15-9-4-5-10-16(15)20(23(19,21)22)14-8-3-2-7-13(14)17/h2-5,7-10,18H,6,11-12H2,1H3
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n/an/a 512n/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 noradrenaline transporter


(Homo sapiens (human))
BDBM50319606
PNG
((2S)-3-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benzo...)
Show SMILES CNC[C@H](C)CN1c2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C17H20FN3O2S/c1-13(11-19-2)12-20-16-9-5-6-10-17(16)21(24(20,22)23)15-8-4-3-7-14(15)18/h3-10,13,19H,11-12H2,1-2H3/t13-/m0/s1
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n/an/a 602n/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))
BDBM50319607
PNG
(1-(tert-Butylamino)-4-(2,2-dioxido-3-phenyl-2,1,3-...)
Show SMILES CC(C)(C)NCC(O)CCN1c2ccccc2N(c2ccccc2)S1(=O)=O
Show InChI InChI=1S/C20H27N3O3S/c1-20(2,3)21-15-17(24)13-14-22-18-11-7-8-12-19(18)23(27(22,25)26)16-9-5-4-6-10-16/h4-12,17,21,24H,13-15H2,1-3H3
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n/an/a 853n/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))
BDBM50319592
PNG
((2R)-(4-[3-(2,4-Difluorophenyl)-2,2-dioxido-2,1,3-...)
Show SMILES CNC[C@H](O)CCN1c2ccccc2N(c2ccc(F)cc2F)S1(=O)=O
Show InChI InChI=1S/C17H19F2N3O3S/c1-20-11-13(23)8-9-21-16-4-2-3-5-17(16)22(26(21,24)25)15-7-6-12(18)10-14(15)19/h2-7,10,13,20,23H,8-9,11H2,1H3/t13-/m1/s1
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n/an/a 998n/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 dopamine transporter


(Homo sapiens (human))
BDBM50319576
PNG
(4-(2,2-Dioxido-3-phenyl-2,1,3-benzothiadiazol-1(3H...)
Show SMILES CNCC(=O)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C17H18FN3O3S/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/h2-9,19H,10-12H2,1H3
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n/an/a 1.48E+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 dopamine transporter


(Homo sapiens (human))
BDBM50319591
PNG
((2R)-(4-[3-(2-Methylphenyl)-2,2-dioxido-2,1,3-benz...)
Show SMILES CNC[C@H](O)CCN1c2ccccc2N(c2ccccc2C)S1(=O)=O
Show InChI InChI=1S/C18H23N3O3S/c1-14-7-3-4-8-16(14)21-18-10-6-5-9-17(18)20(25(21,23)24)12-11-15(22)13-19-2/h3-10,15,19,22H,11-13H2,1-2H3/t15-/m1/s1
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n/an/a 1.87E+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
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50319582
PNG
(4-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benzothiad...)
Show SMILES CNCCCCN1c2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C17H20FN3O2S/c1-19-12-6-7-13-20-16-10-4-5-11-17(16)21(24(20,22)23)15-9-3-2-8-14(15)18/h2-5,8-11,19H,6-7,12-13H2,1H3
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n/an/a 2.04E+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
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50319575
PNG
((2S)-(4-[3-(2,5-Difluorophenyl)-2,2-dioxido-2,1,3-...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2cc(F)ccc2F)S1(=O)=O
Show InChI InChI=1S/C17H19F2N3O3S/c1-20-11-13(23)8-9-21-15-4-2-3-5-16(15)22(26(21,24)25)17-10-12(18)6-7-14(17)19/h2-7,10,13,20,23H,8-9,11H2,1H3/t13-/m0/s1
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n/an/a 2.09E+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 dopamine transporter


(Homo sapiens (human))
BDBM50319580
PNG
((2S)-4-(2,2-Dioxido-3-phenyl-2,1,3-benzothiadiazol...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2ccccc2)S1(=O)=O
Show InChI InChI=1S/C17H21N3O3S/c1-18-13-15(21)11-12-19-16-9-5-6-10-17(16)20(24(19,22)23)14-7-3-2-4-8-14/h2-10,15,18,21H,11-13H2,1H3/t15-/m0/s1
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n/an/a 2.11E+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 noradrenaline transporter


(Homo sapiens (human))
BDBM50319608
PNG
(4-(2,2-Dioxido-3-phenyl-2,1,3-benzothiadiazol-1(3H...)
Show SMILES CC(C)NCC(O)CCN1c2ccccc2N(c2ccccc2)S1(=O)=O
Show InChI InChI=1S/C19H25N3O3S/c1-15(2)20-14-17(23)12-13-21-18-10-6-7-11-19(18)22(26(21,24)25)16-8-4-3-5-9-16/h3-11,15,17,20,23H,12-14H2,1-2H3
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n/an/a 2.26E+3n/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))
BDBM50319596
PNG
((2S)-(4-[3-(2-Methylphenyl)-2,2-dioxido-2,1,3-benz...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2ccccc2C)S1(=O)=O
Show InChI InChI=1S/C18H23N3O3S/c1-14-7-3-4-8-16(14)21-18-10-6-5-9-17(18)20(25(21,23)24)12-11-15(22)13-19-2/h3-10,15,19,22H,11-13H2,1-2H3/t15-/m0/s1
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n/an/a 2.33E+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 dopamine transporter


(Homo sapiens (human))
BDBM50319583
PNG
((2R)-(4-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benz...)
Show SMILES CNC[C@H](O)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O
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-/m1/s1
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n/an/a 2.41E+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 dopamine transporter


(Homo sapiens (human))
BDBM50319589
PNG
((2S)-(4-[3-(3-Methoxyphenyl)-2,2-dioxido-2,1,3-ben...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2cccc(OC)c2)S1(=O)=O
Show InChI InChI=1S/C18H23N3O4S/c1-19-13-15(22)10-11-20-17-8-3-4-9-18(17)21(26(20,23)24)14-6-5-7-16(12-14)25-2/h3-9,12,15,19,22H,10-11,13H2,1-2H3/t15-/m0/s1
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n/an/a 2.57E+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 dopamine transporter


(Homo sapiens (human))
BDBM50319581
PNG
((2S)-(4-[3-(2,6-Difluorophenyl)-2,2-dioxido-2,1,3-...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2c(F)cccc2F)S1(=O)=O
Show InChI InChI=1S/C17H19F2N3O3S/c1-20-11-12(23)9-10-21-15-7-2-3-8-16(15)22(26(21,24)25)17-13(18)5-4-6-14(17)19/h2-8,12,20,23H,9-11H2,1H3/t12-/m0/s1
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n/an/a 2.62E+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 dopamine transporter


(Homo sapiens (human))
BDBM50319593
PNG
((2S)-(4-[3-(2,4-Difluorophenyl)-2,2-dioxido-2,1,3-...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2ccc(F)cc2F)S1(=O)=O
Show InChI InChI=1S/C17H19F2N3O3S/c1-20-11-13(23)8-9-21-16-4-2-3-5-17(16)22(26(21,24)25)15-7-6-12(18)10-14(15)19/h2-7,10,13,20,23H,8-9,11H2,1H3/t13-/m0/s1
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n/an/a 3.19E+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 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
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 3.62E+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
Serotonin and norepinephrine transporters (SERT/NET)


(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
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 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
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50319586
PNG
((2R)-(4-[3-(2,6-Difluorophenyl)-2,2-dioxido-2,1,3-...)
Show SMILES CNC[C@H](O)CCN1c2ccccc2N(c2c(F)cccc2F)S1(=O)=O
Show InChI InChI=1S/C17H19F2N3O3S/c1-20-11-12(23)9-10-21-15-7-2-3-8-16(15)22(26(21,24)25)17-13(18)5-4-6-14(17)19/h2-8,12,20,23H,9-11H2,1H3/t12-/m1/s1
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n/an/a 5.50E+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
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50319580
PNG
((2S)-4-(2,2-Dioxido-3-phenyl-2,1,3-benzothiadiazol...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2ccccc2)S1(=O)=O
Show InChI InChI=1S/C17H21N3O3S/c1-18-13-15(21)11-12-19-16-9-5-6-10-17(16)20(24(19,22)23)14-7-3-2-4-8-14/h2-10,15,18,21H,11-13H2,1H3/t15-/m0/s1
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n/an/a 8.00E+3n/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
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50319575
PNG
((2S)-(4-[3-(2,5-Difluorophenyl)-2,2-dioxido-2,1,3-...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2cc(F)ccc2F)S1(=O)=O
Show InChI InChI=1S/C17H19F2N3O3S/c1-20-11-13(23)8-9-21-15-4-2-3-5-16(15)22(26(21,24)25)17-10-12(18)6-7-14(17)19/h2-7,10,13,20,23H,8-9,11H2,1H3/t13-/m0/s1
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n/an/a 1.30E+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
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50319581
PNG
((2S)-(4-[3-(2,6-Difluorophenyl)-2,2-dioxido-2,1,3-...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2c(F)cccc2F)S1(=O)=O
Show InChI InChI=1S/C17H19F2N3O3S/c1-20-11-12(23)9-10-21-15-7-2-3-8-16(15)22(26(21,24)25)17-13(18)5-4-6-14(17)19/h2-8,12,20,23H,9-11H2,1H3/t12-/m0/s1
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n/an/a 2.00E+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
Voltage-gated potassium channel


(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
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>3.00E+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
* indicates data uncertainty>20%