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8 similar compounds to monomer 50275774

Wt: 253.3
BDBM50207749
Wt: 252.3
BDBM50239784
Wt: 262.3
BDBM50275829
Wt: 272.3
BDBM50275830
Wt: 264.3
BDBM50275772
Wt: 282.3
BDBM50275773
Wt: 276.3
BDBM50275775
Wt: 286.8
BDBM50373396

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 37 hits for monomerid = 50207749,50239784,50275829,50275830,50275772,50275773,50275775,50373396   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50207749
PNG
(CHEMBL233646 | [(1S,2S)-2-(diethylcarbamoyl)-2-(th...)
Show SMILES CCN(CC)C(=O)[C@@]1(C[C@@H]1C[NH3+])c1cccs1
Show InChI InChI=1S/C13H20N2OS/c1-3-15(4-2)12(16)13(8-10(13)9-14)11-6-5-7-17-11/h5-7,10H,3-4,8-9,14H2,1-2H3/p+1/t10-,13-/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT uptake at NE transporter in Wistar rat synaptosomes


Citation and Details
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50239784
PNG
((1R,2R)-2-(aminomethyl)-N,N-diethyl-1-(thiophen-2-...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1cccs1
Show InChI InChI=1S/C13H20N2OS/c1-3-15(4-2)12(16)13(8-10(13)9-14)11-6-5-7-17-11/h5-7,10H,3-4,8-9,14H2,1-2H3/t10-,13-/m0/s1
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n/an/a 520n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50207749
PNG
(CHEMBL233646 | [(1S,2S)-2-(diethylcarbamoyl)-2-(th...)
Show SMILES CCN(CC)C(=O)[C@@]1(C[C@@H]1C[NH3+])c1cccs1
Show InChI InChI=1S/C13H20N2OS/c1-3-15(4-2)12(16)13(8-10(13)9-14)11-6-5-7-17-11/h5-7,10H,3-4,8-9,14H2,1-2H3/p+1/t10-,13-/m1/s1
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n/an/a 65n/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT uptake at NE transporter in Wistar rat synaptosomes


Citation and Details
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50207749
PNG
(CHEMBL233646 | [(1S,2S)-2-(diethylcarbamoyl)-2-(th...)
Show SMILES CCN(CC)C(=O)[C@@]1(C[C@@H]1C[NH3+])c1cccs1
Show InChI InChI=1S/C13H20N2OS/c1-3-15(4-2)12(16)13(8-10(13)9-14)11-6-5-7-17-11/h5-7,10H,3-4,8-9,14H2,1-2H3/p+1/t10-,13-/m1/s1
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n/an/a 970n/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT uptake at DA transporter in Wistar rat synaptosomes


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50207749
PNG
(CHEMBL233646 | [(1S,2S)-2-(diethylcarbamoyl)-2-(th...)
Show SMILES CCN(CC)C(=O)[C@@]1(C[C@@H]1C[NH3+])c1cccs1
Show InChI InChI=1S/C13H20N2OS/c1-3-15(4-2)12(16)13(8-10(13)9-14)11-6-5-7-17-11/h5-7,10H,3-4,8-9,14H2,1-2H3/p+1/t10-,13-/m1/s1
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n/an/a 520n/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT uptake at 5HT transporter in Wistar rat synaptosomes


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50207749
PNG
(CHEMBL233646 | [(1S,2S)-2-(diethylcarbamoyl)-2-(th...)
Show SMILES CCN(CC)C(=O)[C@@]1(C[C@@H]1C[NH3+])c1cccs1
Show InChI InChI=1S/C13H20N2OS/c1-3-15(4-2)12(16)13(8-10(13)9-14)11-6-5-7-17-11/h5-7,10H,3-4,8-9,14H2,1-2H3/p+1/t10-,13-/m1/s1
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n/an/a 250n/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT uptake at 5HT transporter in Wistar rat synaptosomes


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


(Homo sapiens (human))
BDBM50275772
PNG
(CHEMBL471002 | N-Allyl-N-ethyl(1R,2R)-2-(Aminometh...)
Show SMILES CCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1cccs1
Show InChI InChI=1S/C14H20N2OS/c1-3-7-16(4-2)13(17)14(9-11(14)10-15)12-6-5-8-18-12/h3,5-6,8,11H,1,4,7,9-10,15H2,2H3/t11-,14-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of Levo[ring-2,5,6-3H]norepinephrine from human cloned NET expressed in HEK293 cells by microplate scintillation counter


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


(Homo sapiens (human))
BDBM50275775
PNG
(CHEMBL469947 | N-Allyl-N-cyclopropyl (1R,2R)-2-(Am...)
Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC=C)C1CC1)c1cccs1
Show InChI InChI=1S/C15H20N2OS/c1-2-7-17(12-5-6-12)14(18)15(9-11(15)10-16)13-4-3-8-19-13/h2-4,8,11-12H,1,5-7,9-10,16H2/t11-,15-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of Levo[ring-2,5,6-3H]norepinephrine from human cloned NET expressed in HEK293 cells by microplate scintillation counter


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


(Homo sapiens (human))
BDBM50275829
PNG
(CHEMBL472253 | N-Ethyl-N-propargyl (1R,2R)-2-(Amin...)
Show SMILES CCN(CC#C)C(=O)[C@]1(C[C@H]1CN)c1cccs1
Show InChI InChI=1S/C14H18N2OS/c1-3-7-16(4-2)13(17)14(9-11(14)10-15)12-6-5-8-18-12/h1,5-6,8,11H,4,7,9-10,15H2,2H3/t11-,14-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of Levo[ring-2,5,6-3H]norepinephrine from human cloned NET expressed in HEK293 cells by microplate scintillation counter


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


(Rattus norvegicus (rat))
BDBM50275773
PNG
(CHEMBL469946 | N-Ethyl-N-(2-fluoroallyl) (1R,2R)-2...)
Show SMILES CCN(CC(F)=C)C(=O)[C@]1(C[C@H]1CN)c1cccs1
Show InChI InChI=1S/C14H19FN2OS/c1-3-17(9-10(2)15)13(18)14(7-11(14)8-16)12-5-4-6-19-12/h4-6,11H,2-3,7-9,16H2,1H3/t11-,14-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of Levo[ring-2,5,6-3H]norepinephrine from rat synaptosomal NET expressed in HEK293 cells by microplate scintillation counter


Citation and Details
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50275830
PNG
(CHEMBL513248 | N,N-Dipropargyl (1R,2R)-2-(Aminomet...)
Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC#C)CC#C)c1cccs1
Show InChI InChI=1S/C15H16N2OS/c1-3-7-17(8-4-2)14(18)15(10-12(15)11-16)13-6-5-9-19-13/h1-2,5-6,9,12H,7-8,10-11,16H2/t12-,15-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [alpha,beta-3H(N)]-5-hydroxytryptamine from human cloned SERT expressed in HEK293 cells by microplate scintillation counter


Citation and Details
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50275775
PNG
(CHEMBL469947 | N-Allyl-N-cyclopropyl (1R,2R)-2-(Am...)
Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC=C)C1CC1)c1cccs1
Show InChI InChI=1S/C15H20N2OS/c1-2-7-17(12-5-6-12)14(18)15(9-11(15)10-16)13-4-3-8-19-13/h2-4,8,11-12H,1,5-7,9-10,16H2/t11-,15-/m0/s1
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n/an/a 45n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [alpha,beta-3H(N)]-5-hydroxytryptamine from human cloned SERT expressed in HEK293 cells by microplate scintillation counter


Citation and Details
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50275829
PNG
(CHEMBL472253 | N-Ethyl-N-propargyl (1R,2R)-2-(Amin...)
Show SMILES CCN(CC#C)C(=O)[C@]1(C[C@H]1CN)c1cccs1
Show InChI InChI=1S/C14H18N2OS/c1-3-7-16(4-2)13(17)14(9-11(14)10-15)12-6-5-8-18-12/h1,5-6,8,11H,4,7,9-10,15H2,2H3/t11-,14-/m0/s1
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n/an/a 81n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [alpha,beta-3H(N)]-5-hydroxytryptamine from human cloned SERT expressed in HEK293 cells by microplate scintillation counter


Citation and Details
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50275773
PNG
(CHEMBL469946 | N-Ethyl-N-(2-fluoroallyl) (1R,2R)-2...)
Show SMILES CCN(CC(F)=C)C(=O)[C@]1(C[C@H]1CN)c1cccs1
Show InChI InChI=1S/C14H19FN2OS/c1-3-17(9-10(2)15)13(18)14(7-11(14)8-16)12-5-4-6-19-12/h4-6,11H,2-3,7-9,16H2,1H3/t11-,14-/m0/s1
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n/an/a 97n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [alpha,beta-3H(N)]-5-hydroxytryptamine from human cloned SERT expressed in HEK293 cells by microplate scintillation counter


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


(Homo sapiens (human))
BDBM50275773
PNG
(CHEMBL469946 | N-Ethyl-N-(2-fluoroallyl) (1R,2R)-2...)
Show SMILES CCN(CC(F)=C)C(=O)[C@]1(C[C@H]1CN)c1cccs1
Show InChI InChI=1S/C14H19FN2OS/c1-3-17(9-10(2)15)13(18)14(7-11(14)8-16)12-5-4-6-19-12/h4-6,11H,2-3,7-9,16H2,1H3/t11-,14-/m0/s1
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n/an/a 4.40n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of Levo[ring-2,5,6-3H]norepinephrine from human cloned NET expressed in HEK293 cells by microplate scintillation counter


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


(Homo sapiens (human))
BDBM50275830
PNG
(CHEMBL513248 | N,N-Dipropargyl (1R,2R)-2-(Aminomet...)
Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC#C)CC#C)c1cccs1
Show InChI InChI=1S/C15H16N2OS/c1-3-7-17(8-4-2)14(18)15(10-12(15)11-16)13-6-5-9-19-13/h1-2,5-6,9,12H,7-8,10-11,16H2/t12-,15-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of Levo[ring-2,5,6-3H]norepinephrine from human cloned NET expressed in HEK293 cells by microplate scintillation counter


Citation and Details
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50275772
PNG
(CHEMBL471002 | N-Allyl-N-ethyl(1R,2R)-2-(Aminometh...)
Show SMILES CCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1cccs1
Show InChI InChI=1S/C14H20N2OS/c1-3-7-16(4-2)13(17)14(9-11(14)10-15)12-6-5-8-18-12/h3,5-6,8,11H,1,4,7,9-10,15H2,2H3/t11-,14-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [alpha,beta-3H(N)]-5-hydroxytryptamine from human cloned SERT expressed in HEK293 cells by microplate scintillation counter


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


(Rattus norvegicus (rat))
BDBM50275829
PNG
(CHEMBL472253 | N-Ethyl-N-propargyl (1R,2R)-2-(Amin...)
Show SMILES CCN(CC#C)C(=O)[C@]1(C[C@H]1CN)c1cccs1
Show InChI InChI=1S/C14H18N2OS/c1-3-7-16(4-2)13(17)14(9-11(14)10-15)12-6-5-8-18-12/h1,5-6,8,11H,4,7,9-10,15H2,2H3/t11-,14-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of Levo[ring-2,5,6-3H]norepinephrine from rat synaptosomal NET expressed in HEK293 cells by microplate scintillation counter


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50275773
PNG
(CHEMBL469946 | N-Ethyl-N-(2-fluoroallyl) (1R,2R)-2...)
Show SMILES CCN(CC(F)=C)C(=O)[C@]1(C[C@H]1CN)c1cccs1
Show InChI InChI=1S/C14H19FN2OS/c1-3-17(9-10(2)15)13(18)14(7-11(14)8-16)12-5-4-6-19-12/h4-6,11H,2-3,7-9,16H2,1H3/t11-,14-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [alpha,beta-3H(N)]-5-hydroxytryptamine from rat synaptosomal SERT expressed in HEK293 cells by microplate scintillation counter


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50275829
PNG
(CHEMBL472253 | N-Ethyl-N-propargyl (1R,2R)-2-(Amin...)
Show SMILES CCN(CC#C)C(=O)[C@]1(C[C@H]1CN)c1cccs1
Show InChI InChI=1S/C14H18N2OS/c1-3-7-16(4-2)13(17)14(9-11(14)10-15)12-6-5-8-18-12/h1,5-6,8,11H,4,7,9-10,15H2,2H3/t11-,14-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [alpha,beta-3H(N)]-5-hydroxytryptamine from rat synaptosomal SERT expressed in HEK293 cells by microplate scintillation counter


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50275773
PNG
(CHEMBL469946 | N-Ethyl-N-(2-fluoroallyl) (1R,2R)-2...)
Show SMILES CCN(CC(F)=C)C(=O)[C@]1(C[C@H]1CN)c1cccs1
Show InChI InChI=1S/C14H19FN2OS/c1-3-17(9-10(2)15)13(18)14(7-11(14)8-16)12-5-4-6-19-12/h4-6,11H,2-3,7-9,16H2,1H3/t11-,14-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells by patch-clamp method


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50275775
PNG
(CHEMBL469947 | N-Allyl-N-cyclopropyl (1R,2R)-2-(Am...)
Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC=C)C1CC1)c1cccs1
Show InChI InChI=1S/C15H20N2OS/c1-2-7-17(12-5-6-12)14(18)15(9-11(15)10-16)13-4-3-8-19-13/h2-4,8,11-12H,1,5-7,9-10,16H2/t11-,15-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells by patch-clamp method


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50275830
PNG
(CHEMBL513248 | N,N-Dipropargyl (1R,2R)-2-(Aminomet...)
Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC#C)CC#C)c1cccs1
Show InChI InChI=1S/C15H16N2OS/c1-3-7-17(8-4-2)14(18)15(10-12(15)11-16)13-6-5-9-19-13/h1-2,5-6,9,12H,7-8,10-11,16H2/t12-,15-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells by patch-clamp method


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50275772
PNG
(CHEMBL471002 | N-Allyl-N-ethyl(1R,2R)-2-(Aminometh...)
Show SMILES CCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1cccs1
Show InChI InChI=1S/C14H20N2OS/c1-3-7-16(4-2)13(17)14(9-11(14)10-15)12-6-5-8-18-12/h3,5-6,8,11H,1,4,7,9-10,15H2,2H3/t11-,14-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of 3,4-[ring-2,5,6-3H]dihydroxyphenylethylamine from human cloned DAT expressed in HEK293 cells by microplate scintillation counter


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50275773
PNG
(CHEMBL469946 | N-Ethyl-N-(2-fluoroallyl) (1R,2R)-2...)
Show SMILES CCN(CC(F)=C)C(=O)[C@]1(C[C@H]1CN)c1cccs1
Show InChI InChI=1S/C14H19FN2OS/c1-3-17(9-10(2)15)13(18)14(7-11(14)8-16)12-5-4-6-19-12/h4-6,11H,2-3,7-9,16H2,1H3/t11-,14-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of 3,4-[ring-2,5,6-3H]dihydroxyphenylethylamine from human cloned DAT expressed in HEK293 cells by microplate scintillation counter


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50275775
PNG
(CHEMBL469947 | N-Allyl-N-cyclopropyl (1R,2R)-2-(Am...)
Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC=C)C1CC1)c1cccs1
Show InChI InChI=1S/C15H20N2OS/c1-2-7-17(12-5-6-12)14(18)15(9-11(15)10-16)13-4-3-8-19-13/h2-4,8,11-12H,1,5-7,9-10,16H2/t11-,15-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of 3,4-[ring-2,5,6-3H]dihydroxyphenylethylamine from human cloned DAT expressed in HEK293 cells by microplate scintillation counter


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50275829
PNG
(CHEMBL472253 | N-Ethyl-N-propargyl (1R,2R)-2-(Amin...)
Show SMILES CCN(CC#C)C(=O)[C@]1(C[C@H]1CN)c1cccs1
Show InChI InChI=1S/C14H18N2OS/c1-3-7-16(4-2)13(17)14(9-11(14)10-15)12-6-5-8-18-12/h1,5-6,8,11H,4,7,9-10,15H2,2H3/t11-,14-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of 3,4-[ring-2,5,6-3H]dihydroxyphenylethylamine from human cloned DAT expressed in HEK293 cells by microplate scintillation counter


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50275830
PNG
(CHEMBL513248 | N,N-Dipropargyl (1R,2R)-2-(Aminomet...)
Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC#C)CC#C)c1cccs1
Show InChI InChI=1S/C15H16N2OS/c1-3-7-17(8-4-2)14(18)15(10-12(15)11-16)13-6-5-9-19-13/h1-2,5-6,9,12H,7-8,10-11,16H2/t12-,15-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of 3,4-[ring-2,5,6-3H]dihydroxyphenylethylamine from human cloned DAT expressed in HEK293 cells by microplate scintillation counter


Citation and Details
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50275773
PNG
(CHEMBL469946 | N-Ethyl-N-(2-fluoroallyl) (1R,2R)-2...)
Show SMILES CCN(CC(F)=C)C(=O)[C@]1(C[C@H]1CN)c1cccs1
Show InChI InChI=1S/C14H19FN2OS/c1-3-17(9-10(2)15)13(18)14(7-11(14)8-16)12-5-4-6-19-12/h4-6,11H,2-3,7-9,16H2,1H3/t11-,14-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of 3,4-[ring-2,5,6-3H]dihydroxyphenylethylamine from rat synaptosomal DAT expressed in HEK293 cells by microplate scintillation counter


Citation and Details
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50275829
PNG
(CHEMBL472253 | N-Ethyl-N-propargyl (1R,2R)-2-(Amin...)
Show SMILES CCN(CC#C)C(=O)[C@]1(C[C@H]1CN)c1cccs1
Show InChI InChI=1S/C14H18N2OS/c1-3-7-16(4-2)13(17)14(9-11(14)10-15)12-6-5-8-18-12/h1,5-6,8,11H,4,7,9-10,15H2,2H3/t11-,14-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of 3,4-[ring-2,5,6-3H]dihydroxyphenylethylamine from rat synaptosomal DAT expressed in HEK293 cells by microplate scintillation counter


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (human))
BDBM50275773
PNG
(CHEMBL469946 | N-Ethyl-N-(2-fluoroallyl) (1R,2R)-2...)
Show SMILES CCN(CC(F)=C)C(=O)[C@]1(C[C@H]1CN)c1cccs1
Show InChI InChI=1S/C14H19FN2OS/c1-3-17(9-10(2)15)13(18)14(7-11(14)8-16)12-5-4-6-19-12/h4-6,11H,2-3,7-9,16H2,1H3/t11-,14-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50373396
PNG
(CHEMBL257810)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccc(Cl)s1
Show InChI InChI=1S/C13H19ClN2OS/c1-3-16(4-2)12(17)13(7-9(13)8-15)10-5-6-11(14)18-10/h5-6,9H,3-4,7-8,15H2,1-2H3/t9-,13-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at human DAT expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50239784
PNG
((1R,2R)-2-(aminomethyl)-N,N-diethyl-1-(thiophen-2-...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1cccs1
Show InChI InChI=1S/C13H20N2OS/c1-3-15(4-2)12(16)13(8-10(13)9-14)11-6-5-7-17-11/h5-7,10H,3-4,8-9,14H2,1-2H3/t10-,13-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at human DAT expressed in HEK293 cells


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


(Homo sapiens (human))
BDBM50373396
PNG
(CHEMBL257810)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccc(Cl)s1
Show InChI InChI=1S/C13H19ClN2OS/c1-3-16(4-2)12(17)13(7-9(13)8-15)10-5-6-11(14)18-10/h5-6,9H,3-4,7-8,15H2,1-2H3/t9-,13-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50239784
PNG
((1R,2R)-2-(aminomethyl)-N,N-diethyl-1-(thiophen-2-...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1cccs1
Show InChI InChI=1S/C13H20N2OS/c1-3-15(4-2)12(16)13(8-10(13)9-14)11-6-5-7-17-11/h5-7,10H,3-4,8-9,14H2,1-2H3/t10-,13-/m0/s1
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n/an/a 76n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50373396
PNG
(CHEMBL257810)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccc(Cl)s1
Show InChI InChI=1S/C13H19ClN2OS/c1-3-16(4-2)12(17)13(7-9(13)8-15)10-5-6-11(14)18-10/h5-6,9H,3-4,7-8,15H2,1-2H3/t9-,13-/m0/s1
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n/an/a 520n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50207749
PNG
(CHEMBL233646 | [(1S,2S)-2-(diethylcarbamoyl)-2-(th...)
Show SMILES CCN(CC)C(=O)[C@@]1(C[C@@H]1C[NH3+])c1cccs1
Show InChI InChI=1S/C13H20N2OS/c1-3-15(4-2)12(16)13(8-10(13)9-14)11-6-5-7-17-11/h5-7,10H,3-4,8-9,14H2,1-2H3/p+1/t10-,13-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT uptake at DA transporter in Wistar rat synaptosomes


Citation and Details
More data for this
Ligand-Target Pair