BindingDB logo
myBDB logout

BDBM50109059 3-{1-[2-(2,3-Dihydro-benzo[1,4]dioxin-5-yloxy)-ethyl]-piperidin-4-yl}-6-fluoro-1H-indole::CHEMBL322915

SMILES: Fc1ccc2c(c[nH]c2c1)C1CCN(CCOc2cccc3OCCOc23)CC1

InChI Key: InChIKey=REMMHZSMZDLMEO-UHFFFAOYSA-N

Data: 4 KI  2 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 6 hits for monomerid = 50109059   
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
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50109059
PNG
(3-{1-[2-(2,3-Dihydro-benzo[1,4]dioxin-5-yloxy)-eth...)
Show SMILES Fc1ccc2c(c[nH]c2c1)C1CCN(CCOc2cccc3OCCOc23)CC1
Show InChI InChI=1S/C23H25FN2O3/c24-17-4-5-18-19(15-25-20(18)14-17)16-6-8-26(9-7-16)10-11-27-21-2-1-3-22-23(21)29-13-12-28-22/h1-5,14-16,25H,6-13H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Antagonism of 5-hydroxytryptamine 1A receptor was determined in vitro using a [35S]-GTP-gammaS,


Bioorg Med Chem Lett 12: 307-10 (2002)


Article DOI: 10.1016/s0960-894x(01)00746-6
BindingDB Entry DOI: 10.7270/Q2FJ2G2M
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50109059
PNG
(3-{1-[2-(2,3-Dihydro-benzo[1,4]dioxin-5-yloxy)-eth...)
Show SMILES Fc1ccc2c(c[nH]c2c1)C1CCN(CCOc2cccc3OCCOc23)CC1
Show InChI InChI=1S/C23H25FN2O3/c24-17-4-5-18-19(15-25-20(18)14-17)16-6-8-26(9-7-16)10-11-27-21-2-1-3-22-23(21)29-13-12-28-22/h1-5,14-16,25H,6-13H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.70n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Affinity of the compound for RB Serotonin transporter was determined in vitro by incubating compound


Bioorg Med Chem Lett 12: 307-10 (2002)


Article DOI: 10.1016/s0960-894x(01)00746-6
BindingDB Entry DOI: 10.7270/Q2FJ2G2M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50109059
PNG
(3-{1-[2-(2,3-Dihydro-benzo[1,4]dioxin-5-yloxy)-eth...)
Show SMILES Fc1ccc2c(c[nH]c2c1)C1CCN(CCOc2cccc3OCCOc23)CC1
Show InChI InChI=1S/C23H25FN2O3/c24-17-4-5-18-19(15-25-20(18)14-17)16-6-8-26(9-7-16)10-11-27-21-2-1-3-22-23(21)29-13-12-28-22/h1-5,14-16,25H,6-13H2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
20n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Human 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT


Bioorg Med Chem Lett 12: 307-10 (2002)


Article DOI: 10.1016/s0960-894x(01)00746-6
BindingDB Entry DOI: 10.7270/Q2FJ2G2M
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50109059
PNG
(3-{1-[2-(2,3-Dihydro-benzo[1,4]dioxin-5-yloxy)-eth...)
Show SMILES Fc1ccc2c(c[nH]c2c1)C1CCN(CCOc2cccc3OCCOc23)CC1
Show InChI InChI=1S/C23H25FN2O3/c24-17-4-5-18-19(15-25-20(18)14-17)16-6-8-26(9-7-16)10-11-27-21-2-1-3-22-23(21)29-13-12-28-22/h1-5,14-16,25H,6-13H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
128n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for HC Serotonin transporter determined in vitro by incubating compound and [3H]-5-HT with human carcinoma (Jar cells), previously treated w...


Bioorg Med Chem Lett 12: 307-10 (2002)


Article DOI: 10.1016/s0960-894x(01)00746-6
BindingDB Entry DOI: 10.7270/Q2FJ2G2M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50109059
PNG
(3-{1-[2-(2,3-Dihydro-benzo[1,4]dioxin-5-yloxy)-eth...)
Show SMILES Fc1ccc2c(c[nH]c2c1)C1CCN(CCOc2cccc3OCCOc23)CC1
Show InChI InChI=1S/C23H25FN2O3/c24-17-4-5-18-19(15-25-20(18)14-17)16-6-8-26(9-7-16)10-11-27-21-2-1-3-22-23(21)29-13-12-28-22/h1-5,14-16,25H,6-13H2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 666n/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Antagonism of 5-hydroxytryptamine 1A receptor was determined in vitro using a [35S]-GTP-gammaS,


Bioorg Med Chem Lett 12: 307-10 (2002)


Article DOI: 10.1016/s0960-894x(01)00746-6
BindingDB Entry DOI: 10.7270/Q2FJ2G2M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50109059
PNG
(3-{1-[2-(2,3-Dihydro-benzo[1,4]dioxin-5-yloxy)-eth...)
Show SMILES Fc1ccc2c(c[nH]c2c1)C1CCN(CCOc2cccc3OCCOc23)CC1
Show InChI InChI=1S/C23H25FN2O3/c24-17-4-5-18-19(15-25-20(18)14-17)16-6-8-26(9-7-16)10-11-27-21-2-1-3-22-23(21)29-13-12-28-22/h1-5,14-16,25H,6-13H2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 920n/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Human 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT


Bioorg Med Chem Lett 12: 307-10 (2002)


Article DOI: 10.1016/s0960-894x(01)00746-6
BindingDB Entry DOI: 10.7270/Q2FJ2G2M
More data for this
Ligand-Target Pair