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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 = 'BDBM89168'   
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))
BDBM89168
PNG
(2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]metho...)
Show SMILES CCCCNC(=O)COCc1cc(on1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C17H20N2O5/c1-2-3-6-18-17(20)10-21-9-13-8-15(24-19-13)12-4-5-14-16(7-12)23-11-22-14/h4-5,7-8H,2-3,6,9-11H2,1H3,(H,18,20)
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PC cid
PC sid
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n/an/an/an/a 8.04E+3n/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