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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'High-affinity choline transporter' and Ligand = 'BDBM51919'   
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


(Homo sapiens (Human))
BDBM51919
PNG
(1-(2-methylphenoxy)-3-[[4-[[3-(2-methylphenoxy)-2-...)
Show SMILES Cc1ccccc1OCC(O)CNC1CCC(CC1)NCC(O)COc1ccccc1C |(4.41,-6.16,;4.41,-7.7,;3.08,-8.47,;3.08,-10.01,;4.41,-10.78,;5.75,-10.01,;5.75,-8.47,;7.08,-7.7,;7.08,-6.16,;8.41,-5.39,;9.75,-6.16,;8.41,-3.85,;9.75,-3.08,;9.75,-1.54,;8.41,-.77,;8.41,.77,;9.75,1.54,;11.08,.77,;11.08,-.77,;9.75,3.08,;11.08,3.85,;11.08,5.39,;9.75,6.16,;12.42,6.16,;12.42,7.7,;13.75,8.47,;13.75,10.01,;15.08,10.78,;16.42,10.01,;16.42,8.47,;15.08,7.7,;15.08,6.16,)|
Show InChI InChI=1S/C26H38N2O4/c1-19-7-3-5-9-25(19)31-17-23(29)15-27-21-11-13-22(14-12-21)28-16-24(30)18-32-26-10-6-4-8-20(26)2/h3-10,21-24,27-30H,11-18H2,1-2H3
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.93E+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)

More data for this
Ligand-Target Pair