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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 = 'BDBM87574'   
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))
BDBM87574
PNG
(MLS001082585 | N-[2-(1-cyclohexenyl)ethyl]-4-metho...)
Show SMILES COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NCCC1=CCCCC1 |t:25|
Show InChI InChI=1S/C24H36N2O3/c1-18(2)26-15-12-21(13-16-26)29-23-17-20(9-10-22(23)28-3)24(27)25-14-11-19-7-5-4-6-8-19/h7,9-10,17-18,21H,4-6,8,11-16H2,1-3H3,(H,25,27)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 3.16E+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))
BDBM87574
PNG
(MLS001082585 | N-[2-(1-cyclohexenyl)ethyl]-4-metho...)
Show SMILES COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NCCC1=CCCCC1 |t:25|
Show InChI InChI=1S/C24H36N2O3/c1-18(2)26-15-12-21(13-16-26)29-23-17-20(9-10-22(23)28-3)24(27)25-14-11-19-7-5-4-6-8-19/h7,9-10,17-18,21H,4-6,8,11-16H2,1-3H3,(H,25,27)
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KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.60E+4n/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