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BDBM50243154 CHEMBL487690::cis-3-(4-chlorophenoxy)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine

SMILES: CN(C)[C@@H]1C[C@H](Oc2ccc(Cl)cc2)c2ccccc12

InChI Key: InChIKey=NNOXYEGAVKKWOL-SJORKVTESA-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 = 50243154   
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))
BDBM50243154
PNG
(CHEMBL487690 | cis-3-(4-chlorophenoxy)-N,N-dimethy...)
Show SMILES CN(C)[C@@H]1C[C@H](Oc2ccc(Cl)cc2)c2ccccc12 |r|
Show InChI InChI=1S/C17H18ClNO/c1-19(2)16-11-17(15-6-4-3-5-14(15)16)20-13-9-7-12(18)8-10-13/h3-10,16-17H,11H2,1-2H3/t16-,17+/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at human DAT in human HEK293 cells


Bioorg Med Chem Lett 18: 4224-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.057
BindingDB Entry DOI: 10.7270/Q2T154J4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50243154
PNG
(CHEMBL487690 | cis-3-(4-chlorophenoxy)-N,N-dimethy...)
Show SMILES CN(C)[C@@H]1C[C@H](Oc2ccc(Cl)cc2)c2ccccc12 |r|
Show InChI InChI=1S/C17H18ClNO/c1-19(2)16-11-17(15-6-4-3-5-14(15)16)20-13-9-7-12(18)8-10-13/h3-10,16-17H,11H2,1-2H3/t16-,17+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT in human HEK293 cells


Bioorg Med Chem Lett 18: 4224-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.057
BindingDB Entry DOI: 10.7270/Q2T154J4
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243154
PNG
(CHEMBL487690 | cis-3-(4-chlorophenoxy)-N,N-dimethy...)
Show SMILES CN(C)[C@@H]1C[C@H](Oc2ccc(Cl)cc2)c2ccccc12 |r|
Show InChI InChI=1S/C17H18ClNO/c1-19(2)16-11-17(15-6-4-3-5-14(15)16)20-13-9-7-12(18)8-10-13/h3-10,16-17H,11H2,1-2H3/t16-,17+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET in human HEK293 cells


Bioorg Med Chem Lett 18: 4224-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.057
BindingDB Entry DOI: 10.7270/Q2T154J4
More data for this
Ligand-Target Pair