BindingDB logo
myBDB logout

BDBM50278478 (R)-N-ethyl-N-(pyrrolidin-3-yl)naphthalene-2-sulfonamide::CHEMBL446230

SMILES: CCN([C@@H]1CCNC1)S(=O)(=O)c1ccc2ccccc2c1

InChI Key: InChIKey=PEOZAOHZZSCNEV-OAHLLOKOSA-N

Data: 3 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 = 50278478   
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))
BDBM50278478
PNG
((R)-N-ethyl-N-(pyrrolidin-3-yl)naphthalene-2-sulfo...)
Show SMILES CCN([C@@H]1CCNC1)S(=O)(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C16H20N2O2S/c1-2-18(15-9-10-17-12-15)21(19,20)16-8-7-13-5-3-4-6-14(13)11-16/h3-8,11,15,17H,2,9-10,12H2,1H3/t15-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled serotonin reuptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50278478
PNG
((R)-N-ethyl-N-(pyrrolidin-3-yl)naphthalene-2-sulfo...)
Show SMILES CCN([C@@H]1CCNC1)S(=O)(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C16H20N2O2S/c1-2-18(15-9-10-17-12-15)21(19,20)16-8-7-13-5-3-4-6-14(13)11-16/h3-8,11,15,17H,2,9-10,12H2,1H3/t15-/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled dopamine reuptake at human DAT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50278478
PNG
((R)-N-ethyl-N-(pyrrolidin-3-yl)naphthalene-2-sulfo...)
Show SMILES CCN([C@@H]1CCNC1)S(=O)(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C16H20N2O2S/c1-2-18(15-9-10-17-12-15)21(19,20)16-8-7-13-5-3-4-6-14(13)11-16/h3-8,11,15,17H,2,9-10,12H2,1H3/t15-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled noradrenaline reuptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair