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BDBM50138477 8-[8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-8-aza-bicyclo[3.2.1]oct-2-en-3-yl]-quinoline::CHEMBL348708

SMILES: COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)c3cccc4cccnc34)Oc12

InChI Key: InChIKey=NDBSQHOHKNHYKI-CBNMVNINSA-N

Data: 3 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 4 hits for monomerid = 50138477   
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))
BDBM50138477
PNG
(8-[8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2...)
Show SMILES COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)c3cccc4cccnc34)Oc12 |c:17|
Show InChI InChI=1S/C26H26N2O3/c1-29-23-8-3-9-24-26(23)31-21(16-30-24)15-28-19-10-11-20(28)14-18(13-19)22-7-2-5-17-6-4-12-27-25(17)22/h2-9,12-13,19-21H,10-11,14-16H2,1H3/t19?,20?,21-/m0/s1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PubMed
33n/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))
BDBM50138477
PNG
(8-[8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2...)
Show SMILES COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)c3cccc4cccnc34)Oc12 |c:17|
Show InChI InChI=1S/C26H26N2O3/c1-29-23-8-3-9-24-26(23)31-21(16-30-24)15-28-19-10-11-20(28)14-18(13-19)22-7-2-5-17-6-4-12-27-25(17)22/h2-9,12-13,19-21H,10-11,14-16H2,1H3/t19?,20?,21-/m0/s1
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PC sid
UniChem
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46n/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
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50138477
PNG
(8-[8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2...)
Show SMILES COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)c3cccc4cccnc34)Oc12 |c:17|
Show InChI InChI=1S/C26H26N2O3/c1-29-23-8-3-9-24-26(23)31-21(16-30-24)15-28-19-10-11-20(28)14-18(13-19)22-7-2-5-17-6-4-12-27-25(17)22/h2-9,12-13,19-21H,10-11,14-16H2,1H3/t19?,20?,21-/m0/s1
UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
PubMed
307n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells


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))
BDBM50138477
PNG
(8-[8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2...)
Show SMILES COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)c3cccc4cccnc34)Oc12 |c:17|
Show InChI InChI=1S/C26H26N2O3/c1-29-23-8-3-9-24-26(23)31-21(16-30-24)15-28-19-10-11-20(28)14-18(13-19)22-7-2-5-17-6-4-12-27-25(17)22/h2-9,12-13,19-21H,10-11,14-16H2,1H3/t19?,20?,21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 109n/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