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BDBM87575 MLS001126544::N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-benzamide::N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide::N-[(4,5-dimethyl-2-thiazolyl)methyl]-4-methoxy-3-[(1-propan-2-yl-4-piperidinyl)oxy]benzamide::N-[(4,5-dimethylthiazol-2-yl)methyl]-3-[(1-isopropyl-4-piperidyl)oxy]-4-methoxy-benzamide::SMR000658870::cid_24793288

SMILES: COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NCc1nc(C)c(C)s1

InChI Key: InChIKey=RIXHLKADIMJEOT-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 87575   
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))
BDBM87575
PNG
(MLS001126544 | N-[(4,5-dimethyl-1,3-thiazol-2-yl)m...)
Show SMILES COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NCc1nc(C)c(C)s1
Show InChI InChI=1S/C22H31N3O3S/c1-14(2)25-10-8-18(9-11-25)28-20-12-17(6-7-19(20)27-5)22(26)23-13-21-24-15(3)16(4)29-21/h6-7,12,14,18H,8-11,13H2,1-5H3,(H,23,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 760n/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))
BDBM87575
PNG
(MLS001126544 | N-[(4,5-dimethyl-1,3-thiazol-2-yl)m...)
Show SMILES COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NCc1nc(C)c(C)s1
Show InChI InChI=1S/C22H31N3O3S/c1-14(2)25-10-8-18(9-11-25)28-20-12-17(6-7-19(20)27-5)22(26)23-13-21-24-15(3)16(4)29-21/h6-7,12,14,18H,8-11,13H2,1-5H3,(H,23,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 303n/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