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BDBM87569 MLS000733239::N-(1-phenylethyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-benzamide::N-(1-phenylethyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide::N-(1-phenylethyl)-4-[[1-(2-pyridinylmethyl)-4-piperidinyl]oxy]benzamide::N-(1-phenylethyl)-4-[[1-(2-pyridylmethyl)-4-piperidyl]oxy]benzamide::N-(1-phenylethyl)-4-{[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy}benzamide::SMR000315874::cid_16187262

SMILES: CC(NC(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1)c1ccccc1

InChI Key: InChIKey=UVONKHXLLMIBGD-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 87569   
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
High-affinity choline transporter


(Homo sapiens (Human))
BDBM87569
PNG
(MLS000733239 | N-(1-phenylethyl)-4-[1-(pyridin-2-y...)
Show SMILES CC(NC(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1)c1ccccc1
Show InChI InChI=1S/C26H29N3O2/c1-20(21-7-3-2-4-8-21)28-26(30)22-10-12-24(13-11-22)31-25-14-17-29(18-15-25)19-23-9-5-6-16-27-23/h2-13,16,20,25H,14-15,17-19H2,1H3,(H,28,30)
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KEGG

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.26E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human CHT Leu530Ala and Val531Ala mutant expressed in HEK293 cells by membrane depolarization assay


Bioorg Med Chem Lett 25: 1757-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.058
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM87569
PNG
(MLS000733239 | N-(1-phenylethyl)-4-[1-(pyridin-2-y...)
Show SMILES CC(NC(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1)c1ccccc1
Show InChI InChI=1S/C26H29N3O2/c1-20(21-7-3-2-4-8-21)28-26(30)22-10-12-24(13-11-22)31-25-14-17-29(18-15-25)19-23-9-5-6-16-27-23/h2-13,16,20,25H,14-15,17-19H2,1H3,(H,28,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a 1.79E+3n/an/an/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening ...


PubChem Bioassay (2012)


Article DOI: 10.1016/j.bioorg.2016.08.011
More data for this
Ligand-Target Pair