BindingDB logo
myBDB logout

BDBM50252527 (2-(3,4-dichlorobenzyl)phenyl)-N-methylmethanamine::CHEMBL493040

SMILES: CNCc1ccccc1Cc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=TYVFKNAUSZXXJC-UHFFFAOYSA-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 = 50252527   
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))
BDBM50252527
PNG
((2-(3,4-dichlorobenzyl)phenyl)-N-methylmethanamine...)
Show SMILES CNCc1ccccc1Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H15Cl2N/c1-18-10-13-5-3-2-4-12(13)8-11-6-7-14(16)15(17)9-11/h2-7,9,18H,8,10H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
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 [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4018-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.001
BindingDB Entry DOI: 10.7270/Q2W37W4X
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50252527
PNG
((2-(3,4-dichlorobenzyl)phenyl)-N-methylmethanamine...)
Show SMILES CNCc1ccccc1Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H15Cl2N/c1-18-10-13-5-3-2-4-12(13)8-11-6-7-14(16)15(17)9-11/h2-7,9,18H,8,10H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake in human noradrenaline transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4018-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.001
BindingDB Entry DOI: 10.7270/Q2W37W4X
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50252527
PNG
((2-(3,4-dichlorobenzyl)phenyl)-N-methylmethanamine...)
Show SMILES CNCc1ccccc1Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H15Cl2N/c1-18-10-13-5-3-2-4-12(13)8-11-6-7-14(16)15(17)9-11/h2-7,9,18H,8,10H2,1H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA reuptake at human dopamine transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4018-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.001
BindingDB Entry DOI: 10.7270/Q2W37W4X
More data for this
Ligand-Target Pair