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BDBM50334778 CHEMBL1642909::cis-1-((2R,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylmethanamine

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

InChI Key: InChIKey=NDCNHLIWHOBKGK-BLLLJJGKSA-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 = 50334778   
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))
BDBM50334778
PNG
(CHEMBL1642909 | cis-1-((2R,4R)-4-(3,4-dichlorophen...)
Show SMILES CNC[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
Show InChI InChI=1S/C18H19Cl2N/c1-21-11-12-8-13-4-2-3-5-15(13)16(9-12)14-6-7-17(19)18(20)10-14/h2-7,10,12,16,21H,8-9,11H2,1H3/t12-,16+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 16n/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))
BDBM50334778
PNG
(CHEMBL1642909 | cis-1-((2R,4R)-4-(3,4-dichlorophen...)
Show SMILES CNC[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
Show InChI InChI=1S/C18H19Cl2N/c1-21-11-12-8-13-4-2-3-5-15(13)16(9-12)14-6-7-17(19)18(20)10-14/h2-7,10,12,16,21H,8-9,11H2,1H3/t12-,16+/m0/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 484n/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
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50334778
PNG
(CHEMBL1642909 | cis-1-((2R,4R)-4-(3,4-dichlorophen...)
Show SMILES CNC[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
Show InChI InChI=1S/C18H19Cl2N/c1-21-11-12-8-13-4-2-3-5-15(13)16(9-12)14-6-7-17(19)18(20)10-14/h2-7,10,12,16,21H,8-9,11H2,1H3/t12-,16+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 372n/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