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BDBM87572 MLS001122453::N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-benzamide::N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide::N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-[(1-propan-2-yl-4-piperidinyl)oxy]benzamide::N-indan-1-yl-3-[(1-isopropyl-4-piperidyl)oxy]-4-methoxy-benzamide::SMR000658437::cid_24791838

SMILES: COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NC1CCc2ccccc12

InChI Key: InChIKey=HOSJPJROAGJOCT-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 87572   
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))
BDBM87572
PNG
(MLS001122453 | N-(2,3-dihydro-1H-inden-1-yl)-4-met...)
Show SMILES COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NC1CCc2ccccc12
Show InChI InChI=1S/C25H32N2O3/c1-17(2)27-14-12-20(13-15-27)30-24-16-19(9-11-23(24)29-3)25(28)26-22-10-8-18-6-4-5-7-21(18)22/h4-7,9,11,16-17,20,22H,8,10,12-15H2,1-3H3,(H,26,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.36E+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
BindingDB Entry DOI: 10.7270/Q24J0GTX
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM87572
PNG
(MLS001122453 | N-(2,3-dihydro-1H-inden-1-yl)-4-met...)
Show SMILES COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NC1CCc2ccccc12
Show InChI InChI=1S/C25H32N2O3/c1-17(2)27-14-12-20(13-15-27)30-24-16-19(9-11-23(24)29-3)25(28)26-22-10-8-18-6-4-5-7-21(18)22/h4-7,9,11,16-17,20,22H,8,10,12-15H2,1-3H3,(H,26,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.12E+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)


BindingDB Entry DOI: 10.7270/Q2GT5KR1
More data for this
Ligand-Target Pair