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BDBM50138483 8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-3-naphthalen-2-yl-8-aza-bicyclo[3.2.1]oct-2-ene::CHEMBL357321

SMILES: COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)c3ccc4ccccc4c3)Oc12

InChI Key: InChIKey=JOHWPBIJXSBHPU-VHYCJAOWSA-N

Data: 2 KI  1 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 3 hits for monomerid = 50138483   
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


(Homo sapiens (Human))
BDBM50138483
PNG
(8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl...)
Show SMILES COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)c3ccc4ccccc4c3)Oc12 |c:17|
Show InChI InChI=1S/C27H27NO3/c1-29-25-7-4-8-26-27(25)31-24(17-30-26)16-28-22-11-12-23(28)15-21(14-22)20-10-9-18-5-2-3-6-19(18)13-20/h2-10,13-14,22-24H,11-12,15-17H2,1H3/t22?,23?,24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.40n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against serotonin transport by RB5-5-HT transporter


Bioorg Med Chem Lett 14: 515-8 (2003)


BindingDB Entry DOI: 10.7270/Q247499J
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50138483
PNG
(8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl...)
Show SMILES COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)c3ccc4ccccc4c3)Oc12 |c:17|
Show InChI InChI=1S/C27H27NO3/c1-29-25-7-4-8-26-27(25)31-24(17-30-26)16-28-22-11-12-23(28)15-21(14-22)20-10-9-18-5-2-3-6-19(18)13-20/h2-10,13-14,22-24H,11-12,15-17H2,1H3/t22?,23?,24-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
229n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL




Bioorg Med Chem Lett 14: 515-8 (2003)


BindingDB Entry DOI: 10.7270/Q247499J
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50138483
PNG
(8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl...)
Show SMILES COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)c3ccc4ccccc4c3)Oc12 |c:17|
Show InChI InChI=1S/C27H27NO3/c1-29-25-7-4-8-26-27(25)31-24(17-30-26)16-28-22-11-12-23(28)15-21(14-22)20-10-9-18-5-2-3-6-19(18)13-20/h2-10,13-14,22-24H,11-12,15-17H2,1H3/t22?,23?,24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 767n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonsitic activity of compound towards 5-hydroxytryptamine 1A receptor was evaluated by forskloin stimulated cAMP assay


Bioorg Med Chem Lett 14: 515-8 (2003)


BindingDB Entry DOI: 10.7270/Q247499J
More data for this
Ligand-Target Pair