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BDBM50307459 (1S,2R)-1-(7-Fluoro-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol Hydrochloride::CHEMBL591928

SMILES: CNC[C@@H](O)[C@@H](N1CC(C)(C)c2cccc(F)c12)c1ccccc1

InChI Key: InChIKey=NWIYAIQOXWYEJQ-MSOLQXFVSA-N

Data: 4 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 4 hits for monomerid = 50307459   
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))
BDBM50307459
PNG
((1S,2R)-1-(7-Fluoro-3,3-dimethyl-2,3-dihydro-1H-in...)
Show SMILES CNC[C@@H](O)[C@@H](N1CC(C)(C)c2cccc(F)c12)c1ccccc1 |r|
Show InChI InChI=1S/C20H25FN2O/c1-20(2)13-23(19-15(20)10-7-11-16(19)21)18(17(24)12-22-3)14-8-5-4-6-9-14/h4-11,17-18,22,24H,12-13H2,1-3H3/t17-,18+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from 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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50307459
PNG
((1S,2R)-1-(7-Fluoro-3,3-dimethyl-2,3-dihydro-1H-in...)
Show SMILES CNC[C@@H](O)[C@@H](N1CC(C)(C)c2cccc(F)c12)c1ccccc1 |r|
Show InChI InChI=1S/C20H25FN2O/c1-20(2)13-23(19-15(20)10-7-11-16(19)21)18(17(24)12-22-3)14-8-5-4-6-9-14/h4-11,17-18,22,24H,12-13H2,1-3H3/t17-,18+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+3n/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))
BDBM50307459
PNG
((1S,2R)-1-(7-Fluoro-3,3-dimethyl-2,3-dihydro-1H-in...)
Show SMILES CNC[C@@H](O)[C@@H](N1CC(C)(C)c2cccc(F)c12)c1ccccc1 |r|
Show InChI InChI=1S/C20H25FN2O/c1-20(2)13-23(19-15(20)10-7-11-16(19)21)18(17(24)12-22-3)14-8-5-4-6-9-14/h4-11,17-18,22,24H,12-13H2,1-3H3/t17-,18+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.70n/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
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50307459
PNG
((1S,2R)-1-(7-Fluoro-3,3-dimethyl-2,3-dihydro-1H-in...)
Show SMILES CNC[C@@H](O)[C@@H](N1CC(C)(C)c2cccc(F)c12)c1ccccc1 |r|
Show InChI InChI=1S/C20H25FN2O/c1-20(2)13-23(19-15(20)10-7-11-16(19)21)18(17(24)12-22-3)14-8-5-4-6-9-14/h4-11,17-18,22,24H,12-13H2,1-3H3/t17-,18+/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.09E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from human DAT expressed in CHO 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