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BDBM50307461 (1S,2R)-1-(2,3-Dihydro-1H-indol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol Hydrochloride::CHEMBL599608

SMILES: CNC[C@@H](O)[C@@H](N1CCc2ccccc12)c1ccccc1

InChI Key: InChIKey=QGRXBVDPAGZYDU-MSOLQXFVSA-N

Data: 2 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 2 hits for monomerid = 50307461   
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))
BDBM50307461
PNG
((1S,2R)-1-(2,3-Dihydro-1H-indol-1-yl)-3-(methylami...)
Show SMILES CNC[C@@H](O)[C@@H](N1CCc2ccccc12)c1ccccc1 |r|
Show InChI InChI=1S/C18H22N2O/c1-19-13-17(21)18(15-8-3-2-4-9-15)20-12-11-14-7-5-6-10-16(14)20/h2-10,17-19,21H,11-13H2,1H3/t17-,18+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 29n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR cells


J Med Chem 53: 2051-62 (2010)


Article DOI: 10.1021/jm901559e
BindingDB Entry DOI: 10.7270/Q21J99VS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50307461
PNG
((1S,2R)-1-(2,3-Dihydro-1H-indol-1-yl)-3-(methylami...)
Show SMILES CNC[C@@H](O)[C@@H](N1CCc2ccccc12)c1ccccc1 |r|
Show InChI InChI=1S/C18H22N2O/c1-19-13-17(21)18(15-8-3-2-4-9-15)20-12-11-14-7-5-6-10-16(14)20/h2-10,17-19,21H,11-13H2,1H3/t17-,18+/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 9.70n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


J Med Chem 53: 2051-62 (2010)


Article DOI: 10.1021/jm901559e
BindingDB Entry DOI: 10.7270/Q21J99VS
More data for this
Ligand-Target Pair