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BDBM50367551 CHEMBL1743803

SMILES: Clc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc12

InChI Key: InChIKey=KWMNBUDYCCTHHL-SJLPKXTDSA-N

Data: 19 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50367551   
Target/Host
(Institution)
LigandTarget/Host
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)
BDBM50367551
PNG
(CHEMBL1743803)
Show SMILES Clc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Show InChI InChI=1S/C18H18ClN/c19-17-9-4-3-7-14(17)16-12-20-11-5-10-18(20)15-8-2-1-6-13(15)16/h1-4,6-9,16,18H,5,10-12H2/t16-,18-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus)
BDBM50367551
PNG
(CHEMBL1743803)
Show SMILES Clc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Show InChI InChI=1S/C18H18ClN/c19-17-9-4-3-7-14(17)16-12-20-11-5-10-18(20)15-8-2-1-6-13(15)16/h1-4,6-9,16,18H,5,10-12H2/t16-,18-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50367551
PNG
(CHEMBL1743803)
Show SMILES Clc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Show InChI InChI=1S/C18H18ClN/c19-17-9-4-3-7-14(17)16-12-20-11-5-10-18(20)15-8-2-1-6-13(15)16/h1-4,6-9,16,18H,5,10-12H2/t16-,18-/m1/s1
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5.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition the uptake of tritiated serotonin (5-HT) by the serotonin transporter SERT in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50367551
PNG
(CHEMBL1743803)
Show SMILES Clc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Show InChI InChI=1S/C18H18ClN/c19-17-9-4-3-7-14(17)16-12-20-11-5-10-18(20)15-8-2-1-6-13(15)16/h1-4,6-9,16,18H,5,10-12H2/t16-,18-/m1/s1
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6.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50367551
PNG
(CHEMBL1743803)
Show SMILES Clc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Show InChI InChI=1S/C18H18ClN/c19-17-9-4-3-7-14(17)16-12-20-11-5-10-18(20)15-8-2-1-6-13(15)16/h1-4,6-9,16,18H,5,10-12H2/t16-,18-/m1/s1
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8.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition the uptake of tritiated serotonin (5-HT) by the serotonin transporter SERT in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50367551
PNG
(CHEMBL1743803)
Show SMILES Clc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Show InChI InChI=1S/C18H18ClN/c19-17-9-4-3-7-14(17)16-12-20-11-5-10-18(20)15-8-2-1-6-13(15)16/h1-4,6-9,16,18H,5,10-12H2/t16-,18-/m1/s1
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8.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50367551
PNG
(CHEMBL1743803)
Show SMILES Clc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Show InChI InChI=1S/C18H18ClN/c19-17-9-4-3-7-14(17)16-12-20-11-5-10-18(20)15-8-2-1-6-13(15)16/h1-4,6-9,16,18H,5,10-12H2/t16-,18-/m1/s1
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18n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the uptake of tritiated dopamine (DA) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50367551
PNG
(CHEMBL1743803)
Show SMILES Clc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Show InChI InChI=1S/C18H18ClN/c19-17-9-4-3-7-14(17)16-12-20-11-5-10-18(20)15-8-2-1-6-13(15)16/h1-4,6-9,16,18H,5,10-12H2/t16-,18-/m1/s1
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36n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the uptake of tritiated dopamine (DA) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50367551
PNG
(CHEMBL1743803)
Show SMILES Clc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Show InChI InChI=1S/C18H18ClN/c19-17-9-4-3-7-14(17)16-12-20-11-5-10-18(20)15-8-2-1-6-13(15)16/h1-4,6-9,16,18H,5,10-12H2/t16-,18-/m1/s1
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150n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-1 adrenergic receptor


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50367551
PNG
(CHEMBL1743803)
Show SMILES Clc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Show InChI InChI=1S/C18H18ClN/c19-17-9-4-3-7-14(17)16-12-20-11-5-10-18(20)15-8-2-1-6-13(15)16/h1-4,6-9,16,18H,5,10-12H2/t16-,18-/m1/s1
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163n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-1 adrenergic receptor


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus)
BDBM50367551
PNG
(CHEMBL1743803)
Show SMILES Clc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Show InChI InChI=1S/C18H18ClN/c19-17-9-4-3-7-14(17)16-12-20-11-5-10-18(20)15-8-2-1-6-13(15)16/h1-4,6-9,16,18H,5,10-12H2/t16-,18-/m1/s1
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261n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50367551
PNG
(CHEMBL1743803)
Show SMILES Clc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Show InChI InChI=1S/C18H18ClN/c19-17-9-4-3-7-14(17)16-12-20-11-5-10-18(20)15-8-2-1-6-13(15)16/h1-4,6-9,16,18H,5,10-12H2/t16-,18-/m1/s1
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406n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50367551
PNG
(CHEMBL1743803)
Show SMILES Clc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Show InChI InChI=1S/C18H18ClN/c19-17-9-4-3-7-14(17)16-12-20-11-5-10-18(20)15-8-2-1-6-13(15)16/h1-4,6-9,16,18H,5,10-12H2/t16-,18-/m1/s1
PDB

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415n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50367551
PNG
(CHEMBL1743803)
Show SMILES Clc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Show InChI InChI=1S/C18H18ClN/c19-17-9-4-3-7-14(17)16-12-20-11-5-10-18(20)15-8-2-1-6-13(15)16/h1-4,6-9,16,18H,5,10-12H2/t16-,18-/m1/s1
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537n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition the uptake of tritiated serotonin (5-HT) by the serotonin transporter SERT in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50367551
PNG
(CHEMBL1743803)
Show SMILES Clc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Show InChI InChI=1S/C18H18ClN/c19-17-9-4-3-7-14(17)16-12-20-11-5-10-18(20)15-8-2-1-6-13(15)16/h1-4,6-9,16,18H,5,10-12H2/t16-,18-/m1/s1
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620n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-1 adrenergic receptor


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50367551
PNG
(CHEMBL1743803)
Show SMILES Clc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Show InChI InChI=1S/C18H18ClN/c19-17-9-4-3-7-14(17)16-12-20-11-5-10-18(20)15-8-2-1-6-13(15)16/h1-4,6-9,16,18H,5,10-12H2/t16-,18-/m1/s1
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775n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the uptake of tritiated dopamine (DA) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50367551
PNG
(CHEMBL1743803)
Show SMILES Clc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Show InChI InChI=1S/C18H18ClN/c19-17-9-4-3-7-14(17)16-12-20-11-5-10-18(20)15-8-2-1-6-13(15)16/h1-4,6-9,16,18H,5,10-12H2/t16-,18-/m1/s1
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1.68E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin S1 receptor


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50367551
PNG
(CHEMBL1743803)
Show SMILES Clc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Show InChI InChI=1S/C18H18ClN/c19-17-9-4-3-7-14(17)16-12-20-11-5-10-18(20)15-8-2-1-6-13(15)16/h1-4,6-9,16,18H,5,10-12H2/t16-,18-/m1/s1
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2.70E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin S1 receptor


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50367551
PNG
(CHEMBL1743803)
Show SMILES Clc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Show InChI InChI=1S/C18H18ClN/c19-17-9-4-3-7-14(17)16-12-20-11-5-10-18(20)15-8-2-1-6-13(15)16/h1-4,6-9,16,18H,5,10-12H2/t16-,18-/m1/s1
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9.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin S1 receptor


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair