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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'High affinity choline transporter 1' and Ligand = 'BDBM87577'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
High affinity choline transporter 1


(Homo sapiens (Human))
BDBM87577
PNG
(3-[(1-isopropyl-4-piperidyl)oxy]-4-methoxy-N-(1-me...)
Show SMILES COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NC(C)Cc1cnccn1
Show InChI InChI=1S/C23H32N4O3/c1-16(2)27-11-7-20(8-12-27)30-22-14-18(5-6-21(22)29-4)23(28)26-17(3)13-19-15-24-9-10-25-19/h5-6,9-10,14-17,20H,7-8,11-13H2,1-4H3,(H,26,28)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 4.47E+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 1


(Homo sapiens (Human))
BDBM87577
PNG
(3-[(1-isopropyl-4-piperidyl)oxy]-4-methoxy-N-(1-me...)
Show SMILES COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NC(C)Cc1cnccn1
Show InChI InChI=1S/C23H32N4O3/c1-16(2)27-11-7-20(8-12-27)30-22-14-18(5-6-21(22)29-4)23(28)26-17(3)13-19-15-24-9-10-25-19/h5-6,9-10,14-17,20H,7-8,11-13H2,1-4H3,(H,26,28)
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 7.51E+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