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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 = 'BDBM87579'   
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))
BDBM87579
PNG
(MLS001239889 | N-(4-{[(2,6-dimethyl-4-pyrimidinyl)...)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)nc(C)n1
Show InChI InChI=1S/C19H13F5N4O3S/c1-8-7-12(26-9(2)25-8)28-32(30,31)11-5-3-10(4-6-11)27-19(29)13-14(20)16(22)18(24)17(23)15(13)21/h3-7H,1-2H3,(H,27,29)(H,25,26,28)
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PC cid
PC sid
UniChem
Article
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n/an/a 447n/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)


Article DOI: 10.1016/j.bioorg.2016.08.011
More data for this
Ligand-Target Pair