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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 = 'BDBM89162'   
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))
BDBM89162
PNG
((3,4-Dimethoxy-benzyl)-[3-(4-fluoro-phenyl)-3-(4-m...)
Show SMILES COc1ccc(cc1)C(CCNCc1ccc(OC)c(OC)c1)c1ccc(F)cc1
Show InChI InChI=1S/C25H28FNO3/c1-28-22-11-7-20(8-12-22)23(19-5-9-21(26)10-6-19)14-15-27-17-18-4-13-24(29-2)25(16-18)30-3/h4-13,16,23,27H,14-15,17H2,1-3H3
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PCBioAssay
n/an/an/an/a 2.09E+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