BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 42 hits of ec50 data for polymerid = 2274   
Target
(Institution)
LigandTarget
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))
BDBM50022723
PNG
((+)-(S)-amphetamine | (+)-alpha-methylphenethylami...)
Show SMILES C[C@H](N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
DrugBank
Article
PubMed
n/an/an/an/a 7.10n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET cloned in rat brain synaptosome by scintillation counting


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50309519
PNG
(2-(2-chloro-6-fluorophenoxy)-3-(piperidin-4-yl)pyr...)
Show SMILES Fc1cccc(Cl)c1Oc1ncccc1C1CCNCC1
Show InChI InChI=1S/C16H16ClFN2O/c17-13-4-1-5-14(18)15(13)21-16-12(3-2-8-20-16)11-6-9-19-10-7-11/h1-5,8,11,19H,6-7,9-10H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 9n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at NET


Bioorg Med Chem Lett 20: 1114-7 (2010)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50299788
PNG
(4-(2-(3-fluorophenoxy)phenyl)piperidine | CHEMBL58...)
Show SMILES Fc1cccc(Oc2ccccc2C2CCNCC2)c1
Show InChI InChI=1S/C17H18FNO/c18-14-4-3-5-15(12-14)20-17-7-2-1-6-16(17)13-8-10-19-11-9-13/h1-7,12-13,19H,8-11H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 21n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 6604-7 (2009)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50333433
PNG
(3-(2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy)az...)
Show SMILES Fc1cccc(Oc2c(F)cccc2Cl)c1OC1CNC1
Show InChI InChI=1S/C15H12ClF2NO2/c16-10-3-1-4-11(17)14(10)21-13-6-2-5-12(18)15(13)20-9-7-19-8-9/h1-6,9,19H,7-8H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 28n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned NET expressed in HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 21: 865-8 (2011)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50299783
PNG
(4-(2-fluoro-6-(3-fluorophenoxy)phenyl)piperidine |...)
Show SMILES Fc1cccc(Oc2cccc(F)c2C2CCNCC2)c1
Show InChI InChI=1S/C17H17F2NO/c18-13-3-1-4-14(11-13)21-16-6-2-5-15(19)17(16)12-7-9-20-10-8-12/h1-6,11-12,20H,7-10H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 28n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 6604-7 (2009)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50309505
PNG
(4-(2-fluoro-6-(2-fluorophenoxy)phenyl)piperidine |...)
Show SMILES Fc1ccccc1Oc1cccc(F)c1C1CCNCC1
Show InChI InChI=1S/C17H17F2NO/c18-13-4-1-2-6-15(13)21-16-7-3-5-14(19)17(16)12-8-10-20-11-9-12/h1-7,12,20H,8-11H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 28n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned NET expressed in HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 21: 865-8 (2011)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50309505
PNG
(4-(2-fluoro-6-(2-fluorophenoxy)phenyl)piperidine |...)
Show SMILES Fc1ccccc1Oc1cccc(F)c1C1CCNCC1
Show InChI InChI=1S/C17H17F2NO/c18-13-4-1-2-6-15(13)21-16-7-3-5-14(19)17(16)12-8-10-20-11-9-12/h1-7,12,20H,8-11H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 28n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at NET


Bioorg Med Chem Lett 20: 1114-7 (2010)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50299798
PNG
(4-(2-(3-chlorophenoxy)phenyl)piperidine | CHEMBL57...)
Show SMILES Clc1cccc(Oc2ccccc2C2CCNCC2)c1
Show InChI InChI=1S/C17H18ClNO/c18-14-4-3-5-15(12-14)20-17-7-2-1-6-16(17)13-8-10-19-11-9-13/h1-7,12-13,19H,8-11H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 49n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 6604-7 (2009)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50299797
PNG
(1-(2-(benzyloxy)phenyl)piperazine | CHEMBL582928)
Show SMILES C(Oc1ccccc1N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C17H20N2O/c1-2-6-15(7-3-1)14-20-17-9-5-4-8-16(17)19-12-10-18-11-13-19/h1-9,18H,10-14H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/an/an/a 83n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 6604-7 (2009)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50333448
PNG
(3-(2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy)py...)
Show SMILES Fc1cccc(Oc2c(F)cccc2Cl)c1OC1CCNC1
Show InChI InChI=1S/C16H14ClF2NO2/c17-11-3-1-4-12(18)15(11)22-14-6-2-5-13(19)16(14)21-10-7-8-20-9-10/h1-6,10,20H,7-9H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 97n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned NET expressed in HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 21: 865-8 (2011)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50333434
PNG
(3-(2-fluoro-6-(2-fluoro-6-methylphenoxy)phenoxy)az...)
Show SMILES Cc1cccc(F)c1Oc1cccc(F)c1OC1CNC1
Show InChI InChI=1S/C16H15F2NO2/c1-10-4-2-5-12(17)15(10)21-14-7-3-6-13(18)16(14)20-11-8-19-9-11/h2-7,11,19H,8-9H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 239n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned NET expressed in HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 21: 865-8 (2011)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50299792
PNG
(4-(3-fluoro-2-phenoxyphenyl)piperidine | CHEMBL583...)
Show SMILES Fc1cccc(C2CCNCC2)c1Oc1ccccc1
Show InChI InChI=1S/C17H18FNO/c18-16-8-4-7-15(13-9-11-19-12-10-13)17(16)20-14-5-2-1-3-6-14/h1-8,13,19H,9-12H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 358n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 6604-7 (2009)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM22418
PNG
(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)c1ccccc1)N2C
Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
Article
PubMed
830 -34.4n/an/a 385n/an/a7.422



Research Triangle Institute



Assay Description
Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...


J Med Chem 50: 3686-95 (2007)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM30131
PNG
(tetrahydrofuranyl ethylamine, 14)
Show SMILES COc1ccc(F)cc1CCC1CCC(CCN)O1
Show InChI InChI=1S/C15H22FNO2/c1-18-15-7-3-12(16)10-11(15)2-4-13-5-6-14(19-13)8-9-17/h3,7,10,13-14H,2,4-6,8-9,17H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
2.44E+3 -31.7n/an/a 481n/an/a7.422



Human BioMolecular Research Institute



Assay Description
Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...


J Med Chem 52: 1530-9 (2009)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM22403
PNG
(2-[(1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-aza...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H22ClN3O2S/c1-26-18-10-11-20(26)22(19(12-18)14-2-6-16(24)7-3-14)23-25-13-21(30-23)15-4-8-17(9-5-15)27(28)29/h2-9,13,18-20,22H,10-12H2,1H3/t18-,19+,20+,22-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
2.27E+3 -31.9n/an/a 582n/an/a7.422



Research Triangle Institute



Assay Description
Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...


J Med Chem 50: 3686-95 (2007)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM22405
PNG
(2-[(1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-aza...)
Show SMILES COc1ccc(cc1)-c1cnc(s1)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2C
Show InChI InChI=1S/C24H25ClN2OS/c1-27-18-9-12-21(27)23(20(13-18)15-3-7-17(25)8-4-15)24-26-14-22(29-24)16-5-10-19(28-2)11-6-16/h3-8,10-11,14,18,20-21,23H,9,12-13H2,1-2H3/t18-,20+,21+,23-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
1.27E+3 -33.3n/an/a 620n/an/a7.422



Research Triangle Institute



Assay Description
Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...


J Med Chem 50: 3686-95 (2007)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM22404
PNG
(2-[(1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-aza...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H22ClN3O2S/c1-26-17-9-10-20(26)22(19(12-17)14-5-7-16(24)8-6-14)23-25-13-21(30-23)15-3-2-4-18(11-15)27(28)29/h2-8,11,13,17,19-20,22H,9-10,12H2,1H3/t17-,19+,20+,22-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
2.51E+3 -31.6n/an/a 650n/an/a7.422



Research Triangle Institute



Assay Description
Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...


J Med Chem 50: 3686-95 (2007)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM22399
PNG
(2-[(1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-aza...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H22ClFN2S/c1-27-18-10-11-20(27)22(19(12-18)14-2-6-16(24)7-3-14)23-26-13-21(28-23)15-4-8-17(25)9-5-15/h2-9,13,18-20,22H,10-12H2,1H3/t18-,19+,20+,22-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
1.70E+3 -32.6n/an/a 690n/an/a7.422



Research Triangle Institute



Assay Description
Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...


J Med Chem 50: 3686-95 (2007)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM22398
PNG
(2-[(1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-aza...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccccc1
Show InChI InChI=1S/C23H23ClN2S/c1-26-18-11-12-20(26)22(19(13-18)15-7-9-17(24)10-8-15)23-25-14-21(27-23)16-5-3-2-4-6-16/h2-10,14,18-20,22H,11-13H2,1H3/t18-,19+,20+,22-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
1.84E+3 -32.4n/an/a 750n/an/a7.422



Research Triangle Institute



Assay Description
Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...


J Med Chem 50: 3686-95 (2007)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM22418
PNG
(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)c1ccccc1)N2C
Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
Article
PubMed
1.12E+3 -33.6n/an/a 835n/an/a7.422



Human BioMolecular Research Institute



Assay Description
Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...


J Med Chem 52: 1530-9 (2009)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM22400
PNG
(5-(4-chlorophenyl)-2-[(1R,2S,3S,5S)-3-(4-chlorophe...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H22Cl2N2S/c1-27-18-10-11-20(27)22(19(12-18)14-2-6-16(24)7-3-14)23-26-13-21(28-23)15-4-8-17(25)9-5-15/h2-9,13,18-20,22H,10-12H2,1H3/t18-,19+,20+,22-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
2.70E+3 -31.5n/an/a 912n/an/a7.422



Research Triangle Institute



Assay Description
Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...


J Med Chem 50: 3686-95 (2007)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM30128
PNG
(phthalazinone, 21)
Show SMILES COc1ccc(F)c(CCC2CCC(CCNCCCCCN3N=C(C4CC=CCC4C3=O)c3ccc(OC)c(OC)c3)O2)c1
Show InChI InChI=1S/C36H48FN3O5/c1-42-29-16-17-32(37)25(23-29)11-13-27-14-15-28(45-27)19-21-38-20-7-4-8-22-40-36(41)31-10-6-5-9-30(31)35(39-40)26-12-18-33(43-2)34(24-26)44-3/h5-6,12,16-18,23-24,27-28,30-31,38H,4,7-11,13-15,19-22H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
1.75E+3 -32.5n/an/a 957n/an/a7.422



Human BioMolecular Research Institute



Assay Description
Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...


J Med Chem 52: 1530-9 (2009)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM22401
PNG
(5-(4-bromophenyl)-2-[(1R,2S,3S,5S)-3-(4-chlorophen...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccc(Br)cc1
Show InChI InChI=1S/C23H22BrClN2S/c1-27-18-10-11-20(27)22(19(12-18)14-4-8-17(25)9-5-14)23-26-13-21(28-23)15-2-6-16(24)7-3-15/h2-9,13,18-20,22H,10-12H2,1H3/t18-,19+,20+,22-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
3.29E+3 -31.0n/an/a 960n/an/a7.422



Research Triangle Institute



Assay Description
Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...


J Med Chem 50: 3686-95 (2007)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50010588
PNG
((RS)-3,4-(methylenedioxy)methamphetamine | 1-(1,3-...)
Show SMILES CNC(C)Cc1ccc2OCOc2c1
Show InChI InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/an/an/a 1.00E+3n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity to human NET expressed in HEK293 cells assessed as induction of [3H]MPP+ release by liquid scintillation counting method


Bioorg Med Chem 23: 5574-9 (2015)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
Article
PubMed
1.56E+3 -32.8n/an/a 1.02E+3n/an/a7.422



Human BioMolecular Research Institute



Assay Description
Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...


J Med Chem 52: 1530-9 (2009)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM22409
PNG
(5-(4-chlorophenyl)-2-[(1R,2S,3S,5S)-8-methyl-3-(4-...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H25ClN2S/c1-15-3-5-16(6-4-15)20-13-19-11-12-21(27(19)2)23(20)24-26-14-22(28-24)17-7-9-18(25)10-8-17/h3-10,14,19-21,23H,11-13H2,1-2H3/t19-,20+,21+,23-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
2.87E+3 -31.3n/an/a 1.17E+3n/an/a7.422



Research Triangle Institute



Assay Description
Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...


J Med Chem 50: 3686-95 (2007)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM22411
PNG
(2-[(1R,2S,3S,5S)-8-methyl-3-(4-methylphenyl)-8-aza...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C24H25N3O2S/c1-15-3-5-16(6-4-15)20-13-19-11-12-21(26(19)2)23(20)24-25-14-22(30-24)17-7-9-18(10-8-17)27(28)29/h3-10,14,19-21,23H,11-13H2,1-2H3/t19-,20+,21+,23-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
1.97E+3 -32.2n/an/a 1.55E+3n/an/a7.422



Research Triangle Institute



Assay Description
Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...


J Med Chem 50: 3686-95 (2007)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM22413
PNG
(5-(4-methoxyphenyl)-2-[(1R,2S,3S,5S)-8-methyl-3-(4...)
Show SMILES COc1ccc(cc1)-c1cnc(s1)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C25H28N2OS/c1-16-4-6-17(7-5-16)21-14-19-10-13-22(27(19)2)24(21)25-26-15-23(29-25)18-8-11-20(28-3)12-9-18/h4-9,11-12,15,19,21-22,24H,10,13-14H2,1-3H3/t19-,21+,22+,24-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
3.63E+3 -30.7n/an/a 1.81E+3n/an/a7.422



Research Triangle Institute



Assay Description
Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...


J Med Chem 50: 3686-95 (2007)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM22419
PNG
(5-(4-bromophenyl)-2-[(1R,2S,3S,5S)-8-methyl-3-(4-m...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1ccc(Br)cc1
Show InChI InChI=1S/C24H25BrN2S/c1-15-3-5-16(6-4-15)20-13-19-11-12-21(27(19)2)23(20)24-26-14-22(28-24)17-7-9-18(25)10-8-17/h3-10,14,19-21,23H,11-13H2,1-2H3/t19-,20+,21+,23-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
4.24E+3 -30.4n/an/a 1.82E+3n/an/a7.422



Research Triangle Institute



Assay Description
Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...


J Med Chem 50: 3686-95 (2007)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM30132
PNG
(CHEMBL450907 | tetrahydrofuranyl ethylamine, 15)
Show SMILES COc1ccc(F)cc1CCCC1CCC(CCN)O1
Show InChI InChI=1S/C16H24FNO2/c1-19-16-8-5-13(17)11-12(16)3-2-4-14-6-7-15(20-14)9-10-18/h5,8,11,14-15H,2-4,6-7,9-10,18H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
1.06E+4 -28.1n/an/a 1.93E+3n/an/a7.422



Human BioMolecular Research Institute



Assay Description
Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...


J Med Chem 52: 1530-9 (2009)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM22412
PNG
(2-[(1R,2S,3S,5S)-8-methyl-3-(4-methylphenyl)-8-aza...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C24H25N3O2S/c1-15-6-8-16(9-7-15)20-13-18-10-11-21(26(18)2)23(20)24-25-14-22(30-24)17-4-3-5-19(12-17)27(28)29/h3-9,12,14,18,20-21,23H,10-11,13H2,1-2H3/t18-,20+,21+,23-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
990 -33.9n/an/a 2.04E+3n/an/a7.422



Research Triangle Institute



Assay Description
Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...


J Med Chem 50: 3686-95 (2007)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM22402
PNG
(5-(3-bromophenyl)-2-[(1R,2S,3S,5S)-3-(4-chlorophen...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1cccc(Br)c1
Show InChI InChI=1S/C23H22BrClN2S/c1-27-18-9-10-20(27)22(19(12-18)14-5-7-17(25)8-6-14)23-26-13-21(28-23)15-3-2-4-16(24)11-15/h2-8,11,13,18-20,22H,9-10,12H2,1H3/t18-,19+,20+,22-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
2.53E+3 -31.6n/an/a 2.30E+3n/an/a7.422



Research Triangle Institute



Assay Description
Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...


J Med Chem 50: 3686-95 (2007)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM22410
PNG
(5-(3-bromophenyl)-2-[(1R,2S,3S,5S)-8-methyl-3-(4-m...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1cccc(Br)c1
Show InChI InChI=1S/C24H25BrN2S/c1-15-6-8-16(9-7-15)20-13-19-10-11-21(27(19)2)23(20)24-26-14-22(28-24)17-4-3-5-18(25)12-17/h3-9,12,14,19-21,23H,10-11,13H2,1-2H3/t19-,20+,21+,23-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
2.21E+3 -32.0n/an/a 3.24E+3n/an/a7.422



Research Triangle Institute



Assay Description
Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...


J Med Chem 50: 3686-95 (2007)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM22414
PNG
(5-(3,4-dichlorophenyl)-2-[(1R,2S,3S,5S)-8-methyl-3...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H24Cl2N2S/c1-14-3-5-15(6-4-14)18-12-17-8-10-21(28(17)2)23(18)24-27-13-22(29-24)16-7-9-19(25)20(26)11-16/h3-7,9,11,13,17-18,21,23H,8,10,12H2,1-2H3/t17-,18+,21+,23-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
>6.10E+3>-29.5n/an/a 4.00E+3n/an/a7.422



Research Triangle Institute



Assay Description
Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...


J Med Chem 50: 3686-95 (2007)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM22407
PNG
(2-[(1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-aza...)
Show SMILES COc1ccc(cc1OC)-c1cnc(s1)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2C
Show InChI InChI=1S/C25H27ClN2O2S/c1-28-18-9-10-20(28)24(19(13-18)15-4-7-17(26)8-5-15)25-27-14-23(31-25)16-6-11-21(29-2)22(12-16)30-3/h4-8,11-12,14,18-20,24H,9-10,13H2,1-3H3/t18-,19+,20+,24-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
1.91E+3 -32.3n/an/a 4.21E+3n/an/a7.422



Research Triangle Institute



Assay Description
Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...


J Med Chem 50: 3686-95 (2007)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM22408
PNG
(5-(4-fluorophenyl)-2-[(1R,2S,3S,5S)-8-methyl-3-(4-...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1ccc(F)cc1
Show InChI InChI=1S/C24H25FN2S/c1-15-3-5-16(6-4-15)20-13-19-11-12-21(27(19)2)23(20)24-26-14-22(28-24)17-7-9-18(25)10-8-17/h3-10,14,19-21,23H,11-13H2,1-2H3/t19-,20+,21+,23-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
1.63E+3 -32.7n/an/a 4.87E+3n/an/a7.422



Research Triangle Institute



Assay Description
Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...


J Med Chem 50: 3686-95 (2007)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM22406
PNG
(2-[(1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-aza...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H21Cl3N2S/c1-28-16-7-9-20(28)22(17(11-16)13-2-5-15(24)6-3-13)23-27-12-21(29-23)14-4-8-18(25)19(26)10-14/h2-6,8,10,12,16-17,20,22H,7,9,11H2,1H3/t16-,17+,20+,22-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
2.30E+3 -31.9n/an/a 6.50E+3n/an/a7.422



Research Triangle Institute



Assay Description
Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...


J Med Chem 50: 3686-95 (2007)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM22415
PNG
(5-(3,4-dimethoxyphenyl)-2-[(1R,2S,3S,5S)-8-methyl-...)
Show SMILES COc1ccc(cc1OC)-c1cnc(s1)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C26H30N2O2S/c1-16-5-7-17(8-6-16)20-14-19-10-11-21(28(19)2)25(20)26-27-15-24(31-26)18-9-12-22(29-3)23(13-18)30-4/h5-9,12-13,15,19-21,25H,10-11,14H2,1-4H3/t19-,20+,21+,25-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
1.39E+3 -33.1n/an/a>6.90E+3n/an/a7.422



Research Triangle Institute



Assay Description
Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...


J Med Chem 50: 3686-95 (2007)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM30129
PNG
(phthalazinone, 22)
Show SMILES COc1ccc(F)c(CCCC2CCC(CCNCCCCCN3N=C(C4CC=CCC4C3=O)c3ccc(OC)c(OC)c3)O2)c1
Show InChI InChI=1S/C37H50FN3O5/c1-43-30-17-18-33(38)26(24-30)10-9-11-28-15-16-29(46-28)20-22-39-21-7-4-8-23-41-37(42)32-13-6-5-12-31(32)36(40-41)27-14-19-34(44-2)35(25-27)45-3/h5-6,14,17-19,24-25,28-29,31-32,39H,4,7-13,15-16,20-23H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
7.44E+3 -29.0n/an/a 7.44E+3n/an/a7.422



Human BioMolecular Research Institute



Assay Description
Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...


J Med Chem 52: 1530-9 (2009)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM30133
PNG
(tetrahydrofuranyl ethylamine, 24)
Show SMILES CNCCC1CCC(CCc2cc(F)ccc2OC)O1
Show InChI InChI=1S/C16H24FNO2/c1-18-10-9-15-7-6-14(20-15)5-3-12-11-13(17)4-8-16(12)19-2/h4,8,11,14-15,18H,3,5-7,9-10H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
1.93E+4 -26.6n/an/a 2.04E+4n/an/a7.422



Human BioMolecular Research Institute



Assay Description
Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...


J Med Chem 52: 1530-9 (2009)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM30127
PNG
(CHEMBL480988 | phthalazinone, 20)
Show SMILES COc1ccc(cc1OC)C1=NN(CCCCCBr)C(=O)C2CC=CCC12
Show InChI InChI=1S/C21H27BrN2O3/c1-26-18-11-10-15(14-19(18)27-2)20-16-8-4-5-9-17(16)21(25)24(23-20)13-7-3-6-12-22/h4-5,10-11,14,16-17H,3,6-9,12-13H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
3.91E+4 -24.9n/an/a>1.00E+5n/an/a7.422



Human BioMolecular Research Institute



Assay Description
Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...


J Med Chem 52: 1530-9 (2009)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM30126
PNG
(CHEMBL313041 | phthalazinone, 19)
Show SMILES COc1ccc(cc1OC)C1=NNC(=O)C2CC=CCC12
Show InChI InChI=1S/C16H18N2O3/c1-20-13-8-7-10(9-14(13)21-2)15-11-5-3-4-6-12(11)16(19)18-17-15/h3-4,7-9,11-12H,5-6H2,1-2H3,(H,18,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
>1.00E+5>-22.6n/an/a>1.00E+5n/an/a7.422



Human BioMolecular Research Institute



Assay Description
Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...


J Med Chem 52: 1530-9 (2009)

More data for this
Ligand-Target Pair