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BDBM50307470 (1S,2R)-1-(5-Chloro-2,3-dihydro-1H-indol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol Hydrochloride::CHEMBL598168

SMILES: CNC[C@@H](O)[C@@H](N1CCc2cc(Cl)ccc12)c1cccc(F)c1

InChI Key: InChIKey=FAODRXCUXGCUBQ-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 = 50307470   
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))
BDBM50307470
PNG
((1S,2R)-1-(5-Chloro-2,3-dihydro-1H-indol-1-yl)-1-(...)
Show SMILES CNC[C@@H](O)[C@@H](N1CCc2cc(Cl)ccc12)c1cccc(F)c1 |r|
Show InChI InChI=1S/C18H20ClFN2O/c1-21-11-17(23)18(13-3-2-4-15(20)10-13)22-8-7-12-9-14(19)5-6-16(12)22/h2-6,9-10,17-18,21,23H,7-8,11H2,1H3/t17-,18+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80n/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))
BDBM50307470
PNG
((1S,2R)-1-(5-Chloro-2,3-dihydro-1H-indol-1-yl)-1-(...)
Show SMILES CNC[C@@H](O)[C@@H](N1CCc2cc(Cl)ccc12)c1cccc(F)c1 |r|
Show InChI InChI=1S/C18H20ClFN2O/c1-21-11-17(23)18(13-3-2-4-15(20)10-13)22-8-7-12-9-14(19)5-6-16(12)22/h2-6,9-10,17-18,21,23H,7-8,11H2,1H3/t17-,18+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.60n/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