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BDBM50252528 (2-(3,4-dichlorobenzyl)phenyl)-N,N-dimethylmethanamine::CHEMBL491268

SMILES: CN(C)Cc1ccccc1Cc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=RVVDMQMBQDIWKD-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 = 50252528   
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 dopamine transporter


(Homo sapiens (Human))
BDBM50252528
PNG
((2-(3,4-dichlorobenzyl)phenyl)-N,N-dimethylmethana...)
Show SMILES CN(C)Cc1ccccc1Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H17Cl2N/c1-19(2)11-14-6-4-3-5-13(14)9-12-7-8-15(17)16(18)10-12/h3-8,10H,9,11H2,1-2H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 320n/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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50252528
PNG
((2-(3,4-dichlorobenzyl)phenyl)-N,N-dimethylmethana...)
Show SMILES CN(C)Cc1ccccc1Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H17Cl2N/c1-19(2)11-14-6-4-3-5-13(14)9-12-7-8-15(17)16(18)10-12/h3-8,10H,9,11H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/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))
BDBM50252528
PNG
((2-(3,4-dichlorobenzyl)phenyl)-N,N-dimethylmethana...)
Show SMILES CN(C)Cc1ccccc1Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H17Cl2N/c1-19(2)11-14-6-4-3-5-13(14)9-12-7-8-15(17)16(18)10-12/h3-8,10H,9,11H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30E+3n/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