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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 = 'BDBM79705'   
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))
BDBM79705
PNG
(2-(4-{[1-(5-chloropyridin-2-yl)-1H-pyrrol-2-yl]met...)
Show SMILES CC(C)CN1CCN(Cc2cccn2-c2ccc(Cl)cn2)CC1CCO
Show InChI InChI=1S/C20H29ClN4O/c1-16(2)13-24-10-9-23(14-18(24)7-11-26)15-19-4-3-8-25(19)20-6-5-17(21)12-22-20/h3-6,8,12,16,18,26H,7,9-11,13-15H2,1-2H3
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 8.24E+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)

More data for this
Ligand-Target Pair