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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 = 'BDBM89149'   
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))
BDBM89149
PNG
(3-chloranyl-N-[3-[4-[3-[(3-chlorophenyl)carbonylam...)
Show SMILES Clc1cccc(c1)C(=O)NCCCN1CCN(CCCNC(=O)c2cccc(Cl)c2)CC1
Show InChI InChI=1S/C24H30Cl2N4O2/c25-21-7-1-5-19(17-21)23(31)27-9-3-11-29-13-15-30(16-14-29)12-4-10-28-24(32)20-6-2-8-22(26)18-20/h1-2,5-8,17-18H,3-4,9-16H2,(H,27,31)(H,28,32)
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 9.44E+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