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Compile Data Set for Download or QSAR

Found 275 hits Enz. Inhib. hit(s) with Target = 'Transporter' AND taxid = 10116   
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
Transporter


(Rattus norvegicus (rat))
BDBM50308250
PNG
((1R,5R,6R)-1-(3,4-dichlorophenyl)-6-(ethoxymethyl)...)
Show SMILES CCOC[C@@H]1[C@H]2CNC[C@@]12c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H17Cl2NO/c1-2-18-7-11-10-6-17-8-14(10,11)9-3-4-12(15)13(16)5-9/h3-5,10-11,17H,2,6-8H2,1H3/t10-,11-,14+/m1/s1
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0.135n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]nisoxetine from rat hippocampus NET by filtration binding assay


Citation and Details
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50124566
PNG
((R)-2-((R)-(2-ethoxyphenoxy)(phenyl)methyl)morphol...)
Show SMILES CCOc1ccccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3
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0.690n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]-dopamine from rat cerebral cortex NET after 7 mins


Citation and Details
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
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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0.780n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from rat NET in rat cerebral cortex


Citation and Details
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50198230
PNG
((S)-2-((S)-(2-iodophenoxy)(phenyl)methyl)morpholin...)
Show SMILES Ic1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1
Show InChI InChI=1S/C17H18INO2/c18-14-8-4-5-9-15(14)21-17(13-6-2-1-3-7-13)16-12-19-10-11-20-16/h1-9,16-17,19H,10-12H2/t16-,17-/m0/s1
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0.840n/an/an/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NAT in Sprague-Dawley rat brain after 4 hrs by liquid scintillation analysis


Citation and Details
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50322698
PNG
(rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...)
Show SMILES COC[C@]12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H17Cl2NO/c1-18-9-13-7-14(13,4-5-17-8-13)10-2-3-11(15)12(16)6-10/h2-3,6,17H,4-5,7-9H2,1H3/t13-,14-/m1/s1
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2.51n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat hippocampus after 2 hrs by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM84745
PNG
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1
Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1
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3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from rat NET in rat cerebral cortex


Citation and Details
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM84745
PNG
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1
Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1
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3.90n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of rat NET


Citation and Details
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50297077
PNG
((S)-N-(cyclobutylmethyl)-N-(pyrrolidin-3-yl)-2-(tr...)
Show SMILES FC(F)(F)c1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1
Show InChI InChI=1S/C17H21F3N2O/c18-17(19,20)15-7-2-1-6-14(15)16(23)22(11-12-4-3-5-12)13-8-9-21-10-13/h1-2,6-7,12-13,21H,3-5,8-11H2/t13-/m0/s1
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3.90n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to rat NET expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50005548
PNG
((+)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinol...)
Show SMILES CN1CC(c2ccccc2)c2cccc(N)c2C1
Show InChI InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3
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4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of NET in rat synaptosomal membrane


Citation and Details
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50366567
PNG
(ATOMOXETINE)
Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
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4n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from Sprague-dawley rat NET by liquid scintillation spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50444862
PNG
(CHEMBL3099493)
Show SMILES O[C@@H]1C[C@H](OC[C@H]1NCc1ccc(O)cc1)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C25H25F2NO3/c26-19-7-3-17(4-8-19)25(18-5-9-20(27)10-6-18)24-13-23(30)22(15-31-24)28-14-16-1-11-21(29)12-2-16/h1-12,22-25,28-30H,13-15H2/t22-,23-,24+/m1/s1
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4.20n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]-dopamine from rat cerebral cortex NET after 7 mins


Citation and Details
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50330790
PNG
(CHEMBL1277594 | N-Methyl-3-phenyl-3-(4-(2-(pyrroli...)
Show SMILES CNCCC(c1ccccc1)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C22H30N2O/c1-23-14-13-22(19-7-3-2-4-8-19)20-9-11-21(12-10-20)25-18-17-24-15-5-6-16-24/h2-4,7-12,22-23H,5-6,13-18H2,1H3
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4.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from rat NET in rat cerebral cortex


Citation and Details
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM22417
PNG
(3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-ami...)
Show SMILES CNCCC(Oc1ccccc1OC)c1ccccc1
Show InChI InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3
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6n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from Sprague-dawley rat NET by liquid scintillation spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50444861
PNG
(CHEMBL3099494)
Show SMILES Fc1ccc(cc1)C([C@@H]1CC[C@@H](CO1)NCc1ccc2OCCc2c1)c1ccc(F)cc1
Show InChI InChI=1S/C27H27F2NO2/c28-22-6-2-19(3-7-22)27(20-4-8-23(29)9-5-20)26-12-10-24(17-32-26)30-16-18-1-11-25-21(15-18)13-14-31-25/h1-9,11,15,24,26-27,30H,10,12-14,16-17H2/t24-,26-/m0/s1
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6.10n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]-dopamine from rat cerebral cortex NET after 7 mins


Citation and Details
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50401730
PNG
(CHEMBL2206509)
Show SMILES CN1C[C@@H](c2ccc(F)cc2)c2ccc(C)cc2C1
Show InChI InChI=1S/C17H18FN/c1-12-3-8-16-14(9-12)10-19(2)11-17(16)13-4-6-15(18)7-5-13/h3-9,17H,10-11H2,1-2H3/t17-/m0/s1
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6.30n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of rat NET


Citation and Details
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50254049
PNG
((S)-N-methyl-4-(naphthalen-1-yl)-4-(thiophen-2-yl)...)
Show SMILES CNCCC[C@H](c1cccs1)c1cccc2ccccc12
Show InChI InChI=1S/C19H21NS/c1-20-13-5-11-18(19-12-6-14-21-19)17-10-4-8-15-7-2-3-9-16(15)17/h2-4,6-10,12,14,18,20H,5,11,13H2,1H3/t18-/m0/s1
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7.90n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from Sprague-dawley rat NET by liquid scintillation spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50301211
PNG
((2R,3S)-2-[(2-Iodophenoxy)phenylmethyl]morpholine ...)
Show SMILES Ic1ccccc1O[C@H]([C@H]1CNCCO1)c1ccccc1
Show InChI InChI=1S/C17H18INO2/c18-14-8-4-5-9-15(14)21-17(13-6-2-1-3-7-13)16-12-19-10-11-20-16/h1-9,16-17,19H,10-12H2/t16-,17+/m1/s1
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8.40n/an/an/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NAT in Sprague-Dawley rat brain after 4 hrs by liquid scintillation analysis


Citation and Details
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50444860
PNG
(CHEMBL3099495)
Show SMILES Nc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C25H26F2N2O/c26-20-7-3-18(4-8-20)25(19-5-9-21(27)10-6-19)24-14-13-23(16-30-24)29-15-17-1-11-22(28)12-2-17/h1-12,23-25,29H,13-16,28H2/t23-,24-/m0/s1
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8.40n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]-dopamine from rat cerebral cortex NET after 7 mins


Citation and Details
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50254073
PNG
((S)-4-(1H-indol-4-yl)-N-methyl-4-(thiophen-2-yl)bu...)
Show SMILES CNCCC[C@H](c1cccs1)c1cccc2[nH]ccc12
Show InChI InChI=1S/C17H20N2S/c1-18-10-3-6-15(17-8-4-12-20-17)13-5-2-7-16-14(13)9-11-19-16/h2,4-5,7-9,11-12,15,18-19H,3,6,10H2,1H3/t15-/m0/s1
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9n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from Sprague-dawley rat NET by liquid scintillation spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50190608
PNG
(CHEMBL213627 | cis-(3S,6S)-(6-benzhydryl-tetrahydr...)
Show SMILES Nc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C25H28N2O/c26-22-13-11-19(12-14-22)17-27-23-15-16-24(28-18-23)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23-25,27H,15-18,26H2/t23-,24-/m0/s1
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13n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]-dopamine from rat cerebral cortex NET after 7 mins


Citation and Details
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50254071
PNG
((S)-3-(1H-indol-4-yl)-N-methyl-3-(thiophen-2-yl)pr...)
Show SMILES CNCC[C@H](c1cccs1)c1cccc2[nH]ccc12
Show InChI InChI=1S/C16H18N2S/c1-17-9-7-14(16-6-3-11-19-16)12-4-2-5-15-13(12)8-10-18-15/h2-6,8,10-11,14,17-18H,7,9H2,1H3/t14-/m0/s1
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13.8n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from Sprague-dawley rat NET by liquid scintillation spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50330787
PNG
(4-(3-(Methylamino)-1-phenylpropyl)-6-(2-(pyrrolidi...)
Show SMILES CNCCC(c1ccccc1)c1ccc(O)c2ccc(OCCN3CCCC3)cc12
Show InChI InChI=1S/C26H32N2O2/c1-27-14-13-22(20-7-3-2-4-8-20)23-11-12-26(29)24-10-9-21(19-25(23)24)30-18-17-28-15-5-6-16-28/h2-4,7-12,19,22,27,29H,5-6,13-18H2,1H3
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14n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from rat NET in rat cerebral cortex


Citation and Details
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50330791
PNG
(CHEMBL1277595 | N-Methyl-4-phenyl-4-(4-(2-(pyrroli...)
Show SMILES CNCCCC(c1ccccc1)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C23H32N2O/c1-24-15-7-10-23(20-8-3-2-4-9-20)21-11-13-22(14-12-21)26-19-18-25-16-5-6-17-25/h2-4,8-9,11-14,23-24H,5-7,10,15-19H2,1H3
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14n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from rat NET in rat cerebral cortex


Citation and Details
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50136674
PNG
((3R)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propa...)
Show SMILES CNCC[C@@H](Oc1cccc2ccccc12)c1cccs1
Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m1/s1
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16n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from Sprague-dawley rat NET by liquid scintillation spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM84745
PNG
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1
Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1
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16n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from Sprague-dawley rat NET by liquid scintillation spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50303309
PNG
(3-(3,4-dichlorophenyl)-2-nortropene | CHEMBL578130)
Show SMILES Clc1ccc(cc1Cl)C1=CC2CCC(C1)N2
Show InChI InChI=1S/C13H13Cl2N/c14-12-4-1-8(7-13(12)15)9-5-10-2-3-11(6-9)16-10/h1,4-5,7,10-11,16H,2-3,6H2
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20n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat brain


Citation and Details
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50005548
PNG
((+)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinol...)
Show SMILES CN1CC(c2ccccc2)c2cccc(N)c2C1
Show InChI InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3
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20n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of rat NET


Citation and Details
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50190601
PNG
((2S,4R,5R)-2-benzhydryl-5-[(1H-indol-5-ylmethyl)-a...)
Show SMILES O[C@@H]1C[C@H](OC[C@H]1NCc1ccc2[nH]ccc2c1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H28N2O2/c30-25-16-26(27(20-7-3-1-4-8-20)21-9-5-2-6-10-21)31-18-24(25)29-17-19-11-12-23-22(15-19)13-14-28-23/h1-15,24-30H,16-18H2/t24-,25-,26+/m1/s1
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26n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]-dopamine from rat cerebral cortex NET after 7 mins


Citation and Details
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50190603
PNG
(CHEMBL211077 | cis-(3S,6S)-(6-benzhydryl-tetrahydr...)
Show SMILES Oc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C25H27NO2/c27-23-14-11-19(12-15-23)17-26-22-13-16-24(28-18-22)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,14-15,22,24-27H,13,16-18H2/t22-,24-/m0/s1
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31n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]-dopamine from rat cerebral cortex NET after 7 mins


Citation and Details
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM138157
PNG
(US8877798, Table 3, Structure 3)
Show SMILES CCN1CC2C[C@]2(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C13H15Cl2N/c1-2-16-7-10-6-13(10,8-16)9-3-4-11(14)12(15)5-9/h3-5,10H,2,6-8H2,1H3/t10?,13-/s2
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32n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50254111
PNG
((S)-3-(3,4-dichlorophenyl)-3-(1H-indol-4-yl)-N-met...)
Show SMILES CNCC[C@@H](c1ccc(Cl)c(Cl)c1)c1cccc2[nH]ccc12
Show InChI InChI=1S/C18H18Cl2N2/c1-21-9-7-13(12-5-6-16(19)17(20)11-12)14-3-2-4-18-15(14)8-10-22-18/h2-6,8,10-11,13,21-22H,7,9H2,1H3/t13-/m0/s1
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35.4n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from Sprague-dawley rat NET by liquid scintillation spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50444871
PNG
(CHEMBL3099502)
Show SMILES Oc1ccc(CN[C@H]2CC[C@@H](CCC(c3ccccc3)c3ccccc3)OC2)cc1
Show InChI InChI=1S/C27H31NO2/c29-25-14-11-21(12-15-25)19-28-24-13-16-26(30-20-24)17-18-27(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-12,14-15,24,26-29H,13,16-20H2/t24-,26-/m0/s1
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38n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]-dopamine from rat cerebral cortex NET after 7 mins


Citation and Details
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50048803
PNG
(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
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48n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity to rat NET


Citation and Details
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50254047
PNG
((S)-N-methyl-3-(naphthalen-1-yl)-3-(thiophen-2-yl)...)
Show SMILES CNCC[C@H](c1cccs1)c1cccc2ccccc12
Show InChI InChI=1S/C18H19NS/c1-19-12-11-17(18-10-5-13-20-18)16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1
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52.1n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from Sprague-dawley rat NET by liquid scintillation spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50264064
PNG
((2S,3S)-iodoreboxetine | (S)-2-((S)-(2-ethoxypheno...)
Show SMILES CCOc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccc(I)cc1
Show InChI InChI=1S/C19H22INO3/c1-2-22-16-5-3-4-6-17(16)24-19(18-13-21-11-12-23-18)14-7-9-15(20)10-8-14/h3-10,18-19,21H,2,11-13H2,1H3/t18-,19-/m0/s1
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53.8n/an/an/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NAT in Sprague-Dawley rat brain after 4 hrs by liquid scintillation analysis


Citation and Details
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50264063
PNG
((2R,3S)-iodoreboxetine | (R)-2-((S)-(2-ethoxypheno...)
Show SMILES CCOc1ccccc1O[C@H]([C@H]1CNCCO1)c1ccc(I)cc1
Show InChI InChI=1S/C19H22INO3/c1-2-22-16-5-3-4-6-17(16)24-19(18-13-21-11-12-23-18)14-7-9-15(20)10-8-14/h3-10,18-19,21H,2,11-13H2,1H3/t18-,19+/m1/s1
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58.2n/an/an/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NAT in Sprague-Dawley rat brain after 4 hrs by liquid scintillation analysis


Citation and Details
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50331515
PNG
(CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
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59n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from norepinephrine transporter in Sprague-Dawley rat frontal cortex after 1 hr by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50254072
PNG
((R)-4-(1H-indol-4-yl)-N-methyl-4-(thiophen-2-yl)bu...)
Show SMILES CNCCC[C@@H](c1cccs1)c1cccc2[nH]ccc12
Show InChI InChI=1S/C17H20N2S/c1-18-10-3-6-15(17-8-4-12-20-17)13-5-2-7-16-14(13)9-11-19-16/h2,4-5,7-9,11-12,15,18-19H,3,6,10H2,1H3/t15-/m1/s1
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79.7n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from Sprague-dawley rat NET by liquid scintillation spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM138155
PNG
(US8877798, Table 3, Structure 1)
Show SMILES CN1CC2C[C@]2(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C12H13Cl2N/c1-15-6-9-5-12(9,7-15)8-2-3-10(13)11(14)4-8/h2-4,9H,5-7H2,1H3/t9?,12-/s2
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81n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50330788
PNG
(CHEMBL1277500 | N1-Methyl-N2-phenyl-N2-(4-(2-(pyrr...)
Show SMILES CNCCN(c1ccccc1)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C21H29N3O/c1-22-13-16-24(19-7-3-2-4-8-19)20-9-11-21(12-10-20)25-18-17-23-14-5-6-15-23/h2-4,7-12,22H,5-6,13-18H2,1H3
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89n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from rat NET in rat cerebral cortex


Citation and Details
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50254027
PNG
((R)-3-(3,4-dichlorophenyl)-3-(1H-indol-4-yl)-N-met...)
Show SMILES CNCC[C@H](c1ccc(Cl)c(Cl)c1)c1cccc2[nH]ccc12
Show InChI InChI=1S/C18H18Cl2N2/c1-21-9-7-13(12-5-6-16(19)17(20)11-12)14-3-2-4-18-15(14)8-10-22-18/h2-6,8,10-11,13,21-22H,7,9H2,1H3/t13-/m1/s1
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95n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from Sprague-dawley rat NET by liquid scintillation spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50303311
PNG
(3-alpha-(4-Chlorophenyl)methoxy-3-beta-phenyl-nort...)
Show SMILES Clc1ccc(COC2(CC3CCC(C2)N3)c2ccccc2)cc1
Show InChI InChI=1S/C20H22ClNO/c21-17-8-6-15(7-9-17)14-23-20(16-4-2-1-3-5-16)12-18-10-11-19(13-20)22-18/h1-9,18-19,22H,10-14H2
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101n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat brain


Citation and Details
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50254050
PNG
((R)-3-(1H-indol-4-yl)-N-methyl-3-(thiophen-2-yl)pr...)
Show SMILES CNCC[C@@H](c1cccs1)c1cccc2[nH]ccc12
Show InChI InChI=1S/C16H18N2S/c1-17-9-7-14(16-6-3-11-19-16)12-4-2-5-15-13(12)8-10-18-15/h2-6,8,10-11,14,17-18H,7,9H2,1H3/t14-/m1/s1
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102n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from Sprague-dawley rat NET by liquid scintillation spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50254048
PNG
((R)-N-methyl-4-(naphthalen-1-yl)-4-(thiophen-2-yl)...)
Show SMILES CNCCC[C@@H](c1cccs1)c1cccc2ccccc12
Show InChI InChI=1S/C19H21NS/c1-20-13-5-11-18(19-12-6-14-21-19)17-10-4-8-15-7-2-3-9-16(15)17/h2-4,6-10,12,14,18,20H,5,11,13H2,1H3/t18-/m1/s1
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109n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from Sprague-dawley rat NET by liquid scintillation spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50330789
PNG
(CHEMBL1277501 | N1-Methyl-N3-phenyl-N3-(4-(2-(pyrr...)
Show SMILES CNCCCN(c1ccccc1)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C22H31N3O/c1-23-14-7-17-25(20-8-3-2-4-9-20)21-10-12-22(13-11-21)26-19-18-24-15-5-6-16-24/h2-4,8-13,23H,5-7,14-19H2,1H3
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110n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from rat NET in rat cerebral cortex


Citation and Details
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50303307
PNG
(3-(4-Chlorophenyl)-2-nortropene | CHEMBL576508)
Show SMILES Clc1ccc(cc1)C1=CC2CCC(C1)N2
Show InChI InChI=1S/C13H14ClN/c14-11-3-1-9(2-4-11)10-7-12-5-6-13(8-10)15-12/h1-4,7,12-13,15H,5-6,8H2
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120n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat brain


Citation and Details
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50254046
PNG
((R)-N-methyl-3-(naphthalen-1-yl)-3-(thiophen-2-yl)...)
Show SMILES CNCC[C@@H](c1cccs1)c1cccc2ccccc12
Show InChI InChI=1S/C18H19NS/c1-19-12-11-17(18-10-5-13-20-18)16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m1/s1
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139n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from Sprague-dawley rat NET by liquid scintillation spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
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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158n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]-dopamine from rat cerebral cortex NET after 7 mins


Citation and Details
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50444868
PNG
(CHEMBL3099487)
Show SMILES Oc1ccc(CCN[C@@H]2CO[C@@H](C2)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C25H27NO2/c27-23-13-11-19(12-14-23)15-16-26-22-17-24(28-18-22)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,22,24-27H,15-18H2/t22-,24-/m0/s1
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165n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]-dopamine from rat cerebral cortex NET after 7 mins


Citation and Details
More data for this
Ligand-Target Pair
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(Rattus norvegicus (rat))
BDBM50444872
PNG
(CHEMBL3099501)
Show SMILES Oc1ccc(CN[C@H]2CC[C@@H](CC(c3ccccc3)c3ccccc3)OC2)cc1
Show InChI InChI=1S/C26H29NO2/c28-24-14-11-20(12-15-24)18-27-23-13-16-25(29-19-23)17-26(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-12,14-15,23,25-28H,13,16-19H2/t23-,25-/m0/s1
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181n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]-dopamine from rat cerebral cortex NET after 7 mins


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Ligand-Target Pair
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