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BDBM50252577 (+/-)-(3,4-dichlorophenyl)(2-((dimethylamino)methyl)phenyl)methanol::CHEMBL493476

SMILES: CN(C)Cc1ccccc1C(O)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=JKBJIWKBKAEYBB-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 = 50252577   
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))
BDBM50252577
PNG
((+/-)-(3,4-dichlorophenyl)(2-((dimethylamino)methy...)
Show SMILES CN(C)Cc1ccccc1C(O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H17Cl2NO/c1-19(2)10-12-5-3-4-6-13(12)16(20)11-7-8-14(17)15(18)9-11/h3-9,16,20H,10H2,1-2H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Similars

Article
PubMed
n/an/a 1.80E+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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50252577
PNG
((+/-)-(3,4-dichlorophenyl)(2-((dimethylamino)methy...)
Show SMILES CN(C)Cc1ccccc1C(O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H17Cl2NO/c1-19(2)10-12-5-3-4-6-13(12)16(20)11-7-8-14(17)15(18)9-11/h3-9,16,20H,10H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 250n/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))
BDBM50252577
PNG
((+/-)-(3,4-dichlorophenyl)(2-((dimethylamino)methy...)
Show SMILES CN(C)Cc1ccccc1C(O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H17Cl2NO/c1-19(2)10-12-5-3-4-6-13(12)16(20)11-7-8-14(17)15(18)9-11/h3-9,16,20H,10H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.10E+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