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BDBM50110784 CHEMBL284002::[2-(4-Iodo-2-methoxymethyl-phenylsulfanyl)-benzyl]-dimethyl-amine

SMILES: COCc1cc(I)ccc1Sc1ccccc1CN(C)C

InChI Key: InChIKey=BEPACNAFCXBJNY-UHFFFAOYSA-N

Data: 3 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50110784   
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


(Rattus norvegicus (rat))
BDBM50110784
PNG
(CHEMBL284002 | [2-(4-Iodo-2-methoxymethyl-phenylsu...)
Show SMILES COCc1cc(I)ccc1Sc1ccccc1CN(C)C
Show InChI InChI=1S/C17H20INOS/c1-19(2)11-13-6-4-5-7-16(13)21-17-9-8-15(18)10-14(17)12-20-3/h4-10H,11-12H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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PC sid
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PubMed
2.5n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of [3H]-paroxetine binding to serotonin transporter (SERT) of rat cortical membrane


J Med Chem 45: 1253-8 (2002)


BindingDB Entry DOI: 10.7270/Q2TH8M15
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50110784
PNG
(CHEMBL284002 | [2-(4-Iodo-2-methoxymethyl-phenylsu...)
Show SMILES COCc1cc(I)ccc1Sc1ccccc1CN(C)C
Show InChI InChI=1S/C17H20INOS/c1-19(2)11-13-6-4-5-7-16(13)21-17-9-8-15(18)10-14(17)12-20-3/h4-10H,11-12H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
172n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of [3H]-GBR-12,935 binding to dopamine transporter (DAT) of rat striatal membranes


J Med Chem 45: 1253-8 (2002)


BindingDB Entry DOI: 10.7270/Q2TH8M15
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50110784
PNG
(CHEMBL284002 | [2-(4-Iodo-2-methoxymethyl-phenylsu...)
Show SMILES COCc1cc(I)ccc1Sc1ccccc1CN(C)C
Show InChI InChI=1S/C17H20INOS/c1-19(2)11-13-6-4-5-7-16(13)21-17-9-8-15(18)10-14(17)12-20-3/h4-10H,11-12H2,1-3H3
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
212n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of [3H]-nisoxatine binding to norepinephrine transporter (NET) of rat cortical homogenates


J Med Chem 45: 1253-8 (2002)


BindingDB Entry DOI: 10.7270/Q2TH8M15
More data for this
Ligand-Target Pair