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BDBM50136670 CHEMBL138031::Methyl-[3-(naphthalen-1-yloxy)-3-thiazol-2-yl-propyl]-amine

SMILES: CNCCC(Oc1cccc2ccccc12)c1nccs1

InChI Key: InChIKey=DCTIZVFKPUZNEA-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 50136670   
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))
BDBM50136670
PNG
(CHEMBL138031 | Methyl-[3-(naphthalen-1-yloxy)-3-th...)
Show SMILES CNCCC(Oc1cccc2ccccc12)c1nccs1
Show InChI InChI=1S/C17H18N2OS/c1-18-10-9-16(17-19-11-12-21-17)20-15-8-4-6-13-5-2-3-7-14(13)15/h2-8,11-12,16,18H,9-10H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
6.40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to serotonin transporter, using [3H]-citalopram as radioligand


Bioorg Med Chem Lett 13: 4477-80 (2003)


BindingDB Entry DOI: 10.7270/Q24J0DJH
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50136670
PNG
(CHEMBL138031 | Methyl-[3-(naphthalen-1-yloxy)-3-th...)
Show SMILES CNCCC(Oc1cccc2ccccc12)c1nccs1
Show InChI InChI=1S/C17H18N2OS/c1-18-10-9-16(17-19-11-12-21-17)20-15-8-4-6-13-5-2-3-7-14(13)15/h2-8,11-12,16,18H,9-10H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
55n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-nisoxatine binding to norepinephrine (NE) transporter


Bioorg Med Chem Lett 13: 4477-80 (2003)


BindingDB Entry DOI: 10.7270/Q24J0DJH
More data for this
Ligand-Target Pair