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BDBM50324242 (E)-3-(1-(4-Fluorophenyl)-4-styryl-1,3-dihydroisobenzofuran-1-yl)-N,N-dimethylpropan-1-amine::CHEMBL1214842

SMILES: CN(C)CCCC1(OCc2c1cccc2\C=C\c1ccccc1)c1ccc(F)cc1

InChI Key: InChIKey=FRYNIFVMXQRIQJ-OUKQBFOZNA-N

Data: 3 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 3 hits for monomerid = 50324242   
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))
BDBM50324242
PNG
((E)-3-(1-(4-Fluorophenyl)-4-styryl-1,3-dihydroisob...)
Show SMILES CN(C)CCCC1(OCc2c1cccc2\C=C\c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1/C27H28FNO/c1-29(2)19-7-18-27(23-14-16-24(28)17-15-23)26-11-6-10-22(25(26)20-30-27)13-12-21-8-4-3-5-9-21/h3-6,8-17H,7,18-20H2,1-2H3/b13-12+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
46.4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT in rat brain stem by scintillation counting


J Med Chem 53: 6112-21 (2010)


Article DOI: 10.1021/jm1005034
BindingDB Entry DOI: 10.7270/Q22J6C2G
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50324242
PNG
((E)-3-(1-(4-Fluorophenyl)-4-styryl-1,3-dihydroisob...)
Show SMILES CN(C)CCCC1(OCc2c1cccc2\C=C\c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1/C27H28FNO/c1-29(2)19-7-18-27(23-14-16-24(28)17-15-23)26-11-6-10-22(25(26)20-30-27)13-12-21-8-4-3-5-9-21/h3-6,8-17H,7,18-20H2,1-2H3/b13-12+
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KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.14E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from DAT in rat caudate-putamen by scintillation counting


J Med Chem 53: 6112-21 (2010)


Article DOI: 10.1021/jm1005034
BindingDB Entry DOI: 10.7270/Q22J6C2G
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50324242
PNG
((E)-3-(1-(4-Fluorophenyl)-4-styryl-1,3-dihydroisob...)
Show SMILES CN(C)CCCC1(OCc2c1cccc2\C=C\c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1/C27H28FNO/c1-29(2)19-7-18-27(23-14-16-24(28)17-15-23)26-11-6-10-22(25(26)20-30-27)13-12-21-8-4-3-5-9-21/h3-6,8-17H,7,18-20H2,1-2H3/b13-12+
Reactome pathway

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.19E+4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat frontal cortex by scintillation counting


J Med Chem 53: 6112-21 (2010)


Article DOI: 10.1021/jm1005034
BindingDB Entry DOI: 10.7270/Q22J6C2G
More data for this
Ligand-Target Pair