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SMILES: NC[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1

InChI Key: InChIKey=AUOZLNRXVPELRP-ABAIWWIYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50334787   
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 noradrenaline transporter


(Homo sapiens (Human))
BDBM50334787
PNG
(CHEMBL1642902 | cis-((2S,4S)-4-(3,4-dichlorophenyl...)
Show SMILES NC[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
Show InChI InChI=1S/C17H17Cl2N/c18-16-6-5-13(9-17(16)19)15-8-11(10-20)7-12-3-1-2-4-14(12)15/h1-6,9,11,15H,7-8,10,20H2/t11-,15+/m1/s1
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PC sid
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Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in MDCK cells by scintillation counting


Bioorg Med Chem 19: 663-76 (2011)


Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50334787
PNG
(CHEMBL1642902 | cis-((2S,4S)-4-(3,4-dichlorophenyl...)
Show SMILES NC[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
Show InChI InChI=1S/C17H17Cl2N/c18-16-6-5-13(9-17(16)19)15-8-11(10-20)7-12-3-1-2-4-14(12)15/h1-6,9,11,15H,7-8,10,20H2/t11-,15+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells by scintillation counting


Bioorg Med Chem 19: 663-76 (2011)


Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50334787
PNG
(CHEMBL1642902 | cis-((2S,4S)-4-(3,4-dichlorophenyl...)
Show SMILES NC[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
Show InChI InChI=1S/C17H17Cl2N/c18-16-6-5-13(9-17(16)19)15-8-11(10-20)7-12-3-1-2-4-14(12)15/h1-6,9,11,15H,7-8,10,20H2/t11-,15+/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in CHOK1 cells by scintillation counting


Bioorg Med Chem 19: 663-76 (2011)


Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M
More data for this
Ligand-Target Pair