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SMILES: Cc1c(CN([C@@H]2CCNC2)S(C)(=O)=O)ccc2cc(F)ccc12

InChI Key: InChIKey=LNIDNIKEDAQTOW-MRXNPFEDSA-N

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 = 50302326   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50302326
PNG
((R)-N-((6-fluoro-1-methylnaphthalen-2-yl)methyl)-N...)
Show SMILES Cc1c(CN([C@@H]2CCNC2)S(C)(=O)=O)ccc2cc(F)ccc12 |r|
Show InChI InChI=1S/C17H21FN2O2S/c1-12-14(4-3-13-9-15(18)5-6-17(12)13)11-20(23(2,21)22)16-7-8-19-10-16/h3-6,9,16,19H,7-8,10-11H2,1-2H3/t16-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.60E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 19: 5893-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.066
BindingDB Entry DOI: 10.7270/Q28915Z6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50302326
PNG
((R)-N-((6-fluoro-1-methylnaphthalen-2-yl)methyl)-N...)
Show SMILES Cc1c(CN([C@@H]2CCNC2)S(C)(=O)=O)ccc2cc(F)ccc12 |r|
Show InChI InChI=1S/C17H21FN2O2S/c1-12-14(4-3-13-9-15(18)5-6-17(12)13)11-20(23(2,21)22)16-7-8-19-10-16/h3-6,9,16,19H,7-8,10-11H2,1-2H3/t16-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.60n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at human serotonin transporter expressed in HEK293 cells after 5 mins by scintillation counting


Bioorg Med Chem Lett 19: 5893-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.066
BindingDB Entry DOI: 10.7270/Q28915Z6
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50302326
PNG
((R)-N-((6-fluoro-1-methylnaphthalen-2-yl)methyl)-N...)
Show SMILES Cc1c(CN([C@@H]2CCNC2)S(C)(=O)=O)ccc2cc(F)ccc12 |r|
Show InChI InChI=1S/C17H21FN2O2S/c1-12-14(4-3-13-9-15(18)5-6-17(12)13)11-20(23(2,21)22)16-7-8-19-10-16/h3-6,9,16,19H,7-8,10-11H2,1-2H3/t16-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 735n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline reuptake at human noradrenaline transporter expressed in HEK293 cells after 15 mins by scintillation counting


Bioorg Med Chem Lett 19: 5893-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.066
BindingDB Entry DOI: 10.7270/Q28915Z6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50302326
PNG
((R)-N-((6-fluoro-1-methylnaphthalen-2-yl)methyl)-N...)
Show SMILES Cc1c(CN([C@@H]2CCNC2)S(C)(=O)=O)ccc2cc(F)ccc12 |r|
Show InChI InChI=1S/C17H21FN2O2S/c1-12-14(4-3-13-9-15(18)5-6-17(12)13)11-20(23(2,21)22)16-7-8-19-10-16/h3-6,9,16,19H,7-8,10-11H2,1-2H3/t16-/m1/s1
NCI pathway
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UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.80E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dopamine reuptake at human dopamine transporter expressed in HEK293 cells after 5 mins by scintillation counting


Bioorg Med Chem Lett 19: 5893-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.066
BindingDB Entry DOI: 10.7270/Q28915Z6
More data for this
Ligand-Target Pair