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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'High affinity choline transporter 1' and Ligand = 'BDBM78579'   
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))
BDBM78579
PNG
(MLS000121357 | N-[1-(5-Bromo-2-pentyloxy-phenyl)-e...)
Show SMILES CCCCCOc1ccc(Br)cc1C(C)=NNC1=NCCN1 |w:15.16,t:18|
Show InChI InChI=1S/C16H23BrN4O/c1-3-4-5-10-22-15-7-6-13(17)11-14(15)12(2)20-21-16-18-8-9-19-16/h6-7,11H,3-5,8-10H2,1-2H3,(H2,18,19,21)
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PC cid
PC sid
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PCBioAssay
n/an/an/an/a 1.48E+4n/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/Q21N7ZQ4
More data for this
Ligand-Target Pair