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BDBM50319600 2,2-Difluoro-3-[3-(2-fluorophenyl)-2,2-dioxido-2,1,3-benzothiadiazol-1(3H)-yl]-N-methylpropan-1-amine::CHEMBL1085830

SMILES: CNCC(F)(F)CN1c2ccccc2N(c2ccccc2F)S1(=O)=O

InChI Key: InChIKey=QWFUAOOOLIDWBY-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50319600   
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))
BDBM50319600
PNG
(2,2-Difluoro-3-[3-(2-fluorophenyl)-2,2-dioxido-2,1...)
Show SMILES CNCC(F)(F)CN1c2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C16H16F3N3O2S/c1-20-10-16(18,19)11-21-14-8-4-5-9-15(14)22(25(21,23)24)13-7-3-2-6-12(13)17/h2-9,20H,10-11H2,1H3
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PC cid
PC sid
UniChem

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Similars

Article
PubMed
n/an/a 238n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


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


J Med Chem 53: 4511-21 (2010)


Article DOI: 10.1021/jm100053t
BindingDB Entry DOI: 10.7270/Q2PC32JR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50319600
PNG
(2,2-Difluoro-3-[3-(2-fluorophenyl)-2,2-dioxido-2,1...)
Show SMILES CNCC(F)(F)CN1c2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C16H16F3N3O2S/c1-20-10-16(18,19)11-21-14-8-4-5-9-15(14)22(25(21,23)24)13-7-3-2-6-12(13)17/h2-9,20H,10-11H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 94n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cells


J Med Chem 53: 4511-21 (2010)


Article DOI: 10.1021/jm100053t
BindingDB Entry DOI: 10.7270/Q2PC32JR
More data for this
Ligand-Target Pair