BindingDB logo
myBDB logout

null

SMILES: Fc1ccc2[nH]cc(CCCNCCOc3cccc4CCCCc34)c2c1

InChI Key: InChIKey=WEVQBZNODPTEIQ-UHFFFAOYSA-N

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 = 50150104   
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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50150104
PNG
(CHEMBL339559 | [3-(5-Fluoro-1H-indol-3-yl)-propyl]...)
Show SMILES Fc1ccc2[nH]cc(CCCNCCOc3cccc4CCCCc34)c2c1
Show InChI InChI=1S/C23H27FN2O/c24-19-10-11-22-21(15-19)18(16-26-22)7-4-12-25-13-14-27-23-9-3-6-17-5-1-2-8-20(17)23/h3,6,9-11,15-16,25-26H,1-2,4-5,7-8,12-14H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
33.5n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter in rat cortical tissues using radioligand [3H]-paroxetine


J Med Chem 47: 3823-42 (2004)


Article DOI: 10.1021/jm0304010
BindingDB Entry DOI: 10.7270/Q2S46RDW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50150104
PNG
(CHEMBL339559 | [3-(5-Fluoro-1H-indol-3-yl)-propyl]...)
Show SMILES Fc1ccc2[nH]cc(CCCNCCOc3cccc4CCCCc34)c2c1
Show InChI InChI=1S/C23H27FN2O/c24-19-10-11-22-21(15-19)18(16-26-22)7-4-12-25-13-14-27-23-9-3-6-17-5-1-2-8-20(17)23/h3,6,9-11,15-16,25-26H,1-2,4-5,7-8,12-14H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
170n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 1A receptor in CHO cells labeled with [3H]-8-OH-DPAT radioligand


J Med Chem 47: 3823-42 (2004)


Article DOI: 10.1021/jm0304010
BindingDB Entry DOI: 10.7270/Q2S46RDW
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50150104
PNG
(CHEMBL339559 | [3-(5-Fluoro-1H-indol-3-yl)-propyl]...)
Show SMILES Fc1ccc2[nH]cc(CCCNCCOc3cccc4CCCCc34)c2c1
Show InChI InChI=1S/C23H27FN2O/c24-19-10-11-22-21(15-19)18(16-26-22)7-4-12-25-13-14-27-23-9-3-6-17-5-1-2-8-20(17)23/h3,6,9-11,15-16,25-26H,1-2,4-5,7-8,12-14H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 305n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition concentration against [3H]-5-HT uptake by human serotonin transporter in JAR cells


J Med Chem 47: 3823-42 (2004)


Article DOI: 10.1021/jm0304010
BindingDB Entry DOI: 10.7270/Q2S46RDW
More data for this
Ligand-Target Pair