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SMILES: OC(COc1ccc(F)c2CCCOc12)CN1CCC2(CC1)OCc1c2ccc2ccccc12

InChI Key: InChIKey=NSNNZSICHPTFIP-UHFFFAOYSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50082411   
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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50082411
PNG
(1-(5-fluoro-3,4-dihydro-2H-8-chromenyloxy)-3-spiro...)
Show SMILES OC(COc1ccc(F)c2CCCOc12)CN1CCC2(CC1)OCc1c2ccc2ccccc12
Show InChI InChI=1S/C28H30FNO4/c29-25-9-10-26(27-22(25)6-3-15-32-27)33-17-20(31)16-30-13-11-28(12-14-30)24-8-7-19-4-1-2-5-21(19)23(24)18-34-28/h1-2,4-5,7-10,20,31H,3,6,11-18H2
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
2.80n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Displacement of specific [3H]- 5-HT binding to cloned human 5-hydroxytryptamine 1A receptor stably expressed in HeLa cells


Bioorg Med Chem Lett 9: 3243-8 (1999)


BindingDB Entry DOI: 10.7270/Q2W37WVB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50082411
PNG
(1-(5-fluoro-3,4-dihydro-2H-8-chromenyloxy)-3-spiro...)
Show SMILES OC(COc1ccc(F)c2CCCOc12)CN1CCC2(CC1)OCc1c2ccc2ccccc12
Show InChI InChI=1S/C28H30FNO4/c29-25-9-10-26(27-22(25)6-3-15-32-27)33-17-20(31)16-30-13-11-28(12-14-30)24-8-7-19-4-1-2-5-21(19)23(24)18-34-28/h1-2,4-5,7-10,20,31H,3,6,11-18H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
49n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Displacement of specific [3H]- citalopram binding to 5-HT uptake site in rat whole cortex


Bioorg Med Chem Lett 9: 3243-8 (1999)


BindingDB Entry DOI: 10.7270/Q2W37WVB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50082411
PNG
(1-(5-fluoro-3,4-dihydro-2H-8-chromenyloxy)-3-spiro...)
Show SMILES OC(COc1ccc(F)c2CCCOc12)CN1CCC2(CC1)OCc1c2ccc2ccccc12
Show InChI InChI=1S/C28H30FNO4/c29-25-9-10-26(27-22(25)6-3-15-32-27)33-17-20(31)16-30-13-11-28(12-14-30)24-8-7-19-4-1-2-5-21(19)23(24)18-34-28/h1-2,4-5,7-10,20,31H,3,6,11-18H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Stimulation of [35S]- GIPyS binding to cloned human 5-hydroxytryptamine 1A receptor stably expressed in HeLa cells


Bioorg Med Chem Lett 9: 3243-8 (1999)


BindingDB Entry DOI: 10.7270/Q2W37WVB
More data for this
Ligand-Target Pair