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BDBM50021217 CHEMBL52247::Talsupram::[3-(3,3-Dimethyl-1-phenyl-1,3-dihydro-benzo[c]thiophen-1-yl)-propyl]-methyl-amine(Talsupram)

SMILES: CNCCCC1(SC(C)(C)c2ccccc12)c1ccccc1

InChI Key: InChIKey=FKHYYOUFMJBLAF-UHFFFAOYSA-N

Data: 7 KI  3 IC50

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 10 hits for monomerid = 50021217   
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 transporter


(RAT)
BDBM50021217
PNG
(CHEMBL52247 | Talsupram | [3-(3,3-Dimethyl-1-pheny...)
Show SMILES CNCCCC1(SC(C)(C)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C20H25NS/c1-19(2)17-12-7-8-13-18(17)20(22-19,14-9-15-21-3)16-10-5-4-6-11-16/h4-8,10-13,21H,9,14-15H2,1-3H3
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0.790n/an/an/an/an/an/an/an/a



Lundbeck AIS

Curated by PDSP Ki Database




J Neurochem 44: 1615-22 (1985)


Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50021217
PNG
(CHEMBL52247 | Talsupram | [3-(3,3-Dimethyl-1-pheny...)
Show SMILES CNCCCC1(SC(C)(C)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C20H25NS/c1-19(2)17-12-7-8-13-18(17)20(22-19,14-9-15-21-3)16-10-5-4-6-11-16/h4-8,10-13,21H,9,14-15H2,1-3H3
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850n/an/an/an/an/an/an/an/a



Lundbeck AIS

Curated by PDSP Ki Database




J Neurochem 44: 1615-22 (1985)


Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50021217
PNG
(CHEMBL52247 | Talsupram | [3-(3,3-Dimethyl-1-pheny...)
Show SMILES CNCCCC1(SC(C)(C)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C20H25NS/c1-19(2)17-12-7-8-13-18(17)20(22-19,14-9-15-21-3)16-10-5-4-6-11-16/h4-8,10-13,21H,9,14-15H2,1-3H3
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1.30E+3n/an/an/an/an/an/an/an/a



Lundbeck AIS

Curated by PDSP Ki Database




J Neurochem 44: 1615-22 (1985)


Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50021217
PNG
(CHEMBL52247 | Talsupram | [3-(3,3-Dimethyl-1-pheny...)
Show SMILES CNCCCC1(SC(C)(C)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C20H25NS/c1-19(2)17-12-7-8-13-18(17)20(22-19,14-9-15-21-3)16-10-5-4-6-11-16/h4-8,10-13,21H,9,14-15H2,1-3H3
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1.60E+3n/an/an/an/an/an/an/an/a



Lundbeck AIS

Curated by PDSP Ki Database




J Neurochem 44: 1615-22 (1985)


Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50021217
PNG
(CHEMBL52247 | Talsupram | [3-(3,3-Dimethyl-1-pheny...)
Show SMILES CNCCCC1(SC(C)(C)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C20H25NS/c1-19(2)17-12-7-8-13-18(17)20(22-19,14-9-15-21-3)16-10-5-4-6-11-16/h4-8,10-13,21H,9,14-15H2,1-3H3
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9.30E+3n/an/an/an/an/an/an/an/a



Lundbeck AIS

Curated by PDSP Ki Database




J Neurochem 44: 1615-22 (1985)


Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50021217
PNG
(CHEMBL52247 | Talsupram | [3-(3,3-Dimethyl-1-pheny...)
Show SMILES CNCCCC1(SC(C)(C)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C20H25NS/c1-19(2)17-12-7-8-13-18(17)20(22-19,14-9-15-21-3)16-10-5-4-6-11-16/h4-8,10-13,21H,9,14-15H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Lundbeck AIS

Curated by PDSP Ki Database




J Neurochem 44: 1615-22 (1985)


Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50021217
PNG
(CHEMBL52247 | Talsupram | [3-(3,3-Dimethyl-1-pheny...)
Show SMILES CNCCCC1(SC(C)(C)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C20H25NS/c1-19(2)17-12-7-8-13-18(17)20(22-19,14-9-15-21-3)16-10-5-4-6-11-16/h4-8,10-13,21H,9,14-15H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Lundbeck AIS

Curated by PDSP Ki Database




J Neurochem 44: 1615-22 (1985)


Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50021217
PNG
(CHEMBL52247 | Talsupram | [3-(3,3-Dimethyl-1-pheny...)
Show SMILES CNCCCC1(SC(C)(C)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C20H25NS/c1-19(2)17-12-7-8-13-18(17)20(22-19,14-9-15-21-3)16-10-5-4-6-11-16/h4-8,10-13,21H,9,14-15H2,1-3H3
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n/an/a 9.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake in rat synaptosomal fraction


J Med Chem 28: 1817-28 (1986)


BindingDB Entry DOI: 10.7270/Q29W0G1M
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50021217
PNG
(CHEMBL52247 | Talsupram | [3-(3,3-Dimethyl-1-pheny...)
Show SMILES CNCCCC1(SC(C)(C)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C20H25NS/c1-19(2)17-12-7-8-13-18(17)20(22-19,14-9-15-21-3)16-10-5-4-6-11-16/h4-8,10-13,21H,9,14-15H2,1-3H3
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n/an/a 0.790n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline uptake in rat synaptosomal fraction


J Med Chem 28: 1817-28 (1986)


BindingDB Entry DOI: 10.7270/Q29W0G1M
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50021217
PNG
(CHEMBL52247 | Talsupram | [3-(3,3-Dimethyl-1-pheny...)
Show SMILES CNCCCC1(SC(C)(C)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C20H25NS/c1-19(2)17-12-7-8-13-18(17)20(22-19,14-9-15-21-3)16-10-5-4-6-11-16/h4-8,10-13,21H,9,14-15H2,1-3H3
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n/an/a 850n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 5-HT uptake in rat synaptosomal fraction


J Med Chem 28: 1817-28 (1986)


BindingDB Entry DOI: 10.7270/Q29W0G1M
More data for this
Ligand-Target Pair