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BDBM50021246 3-(3,3-dimethyl-1-phenyl-1,3-dihydroisobenzofuran-1-yl)-N-methylpropan-1-amine::CHEMBL299233::[3-(3,3-Dimethyl-1-phenyl-1,3-dihydro-isobenzofuran-1-yl)-propyl]-methyl-amine(Talopram)

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

InChI Key: InChIKey=LJBBMCNHIUJBDU-UHFFFAOYNA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50021246   
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
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50021246
PNG
(3-(3,3-dimethyl-1-phenyl-1,3-dihydroisobenzofuran-...)
Show SMILES CNCCCC1(OC(C)(C)c2ccccc12)c1ccccc1
Show InChI InChI=1/C20H25NO/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
PDB

KEGG

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CHEMBL
DrugBank
PC cid
PC sid
UniChem

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Similars

Article
PubMed
n/an/a 1.40E+3n/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)


Article DOI: 10.1021/jm00150a012
BindingDB Entry DOI: 10.7270/Q29W0G1M
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50021246
PNG
(3-(3,3-dimethyl-1-phenyl-1,3-dihydroisobenzofuran-...)
Show SMILES CNCCCC1(OC(C)(C)c2ccccc12)c1ccccc1
Show InChI InChI=1/C20H25NO/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
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.90n/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)


Article DOI: 10.1021/jm00150a012
BindingDB Entry DOI: 10.7270/Q29W0G1M
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50021246
PNG
(3-(3,3-dimethyl-1-phenyl-1,3-dihydroisobenzofuran-...)
Show SMILES CNCCCC1(OC(C)(C)c2ccccc12)c1ccccc1
Show InChI InChI=1/C20H25NO/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
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.40E+4n/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)


Article DOI: 10.1021/jm00150a012
BindingDB Entry DOI: 10.7270/Q29W0G1M
More data for this
Ligand-Target Pair