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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 = 'BDBM89141'   
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))
BDBM89141
PNG
(2-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-1-...)
Show SMILES CC(C)CC(N1C(=O)c2ccccc2C1=O)C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C23H24N2O3/c1-15(2)13-20(25-21(26)18-9-5-6-10-19(18)22(25)27)23(28)24-12-11-16-7-3-4-8-17(16)14-24/h3-10,15,20H,11-14H2,1-2H3
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PC cid
PC sid
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n/an/an/an/a 2.24E+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