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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 87580   
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))		BDBM87580
PNG
(3-(benzylsulfamoyl)-N-(4-methylcyclohexyl)benzamid...)
Show SMILES CC1CCC(CC1)NC(=O)c1cccc(c1)S(=O)(=O)NCc1ccccc1 |(3.08,-8.09,;4.41,-7.32,;4.41,-5.78,;5.75,-5.01,;7.08,-5.78,;7.08,-7.32,;5.75,-8.09,;8.41,-5.01,;8.41,-3.47,;7.08,-2.7,;9.75,-2.7,;11.08,-3.47,;12.42,-2.7,;12.42,-1.16,;11.08,-.39,;9.75,-1.16,;11.08,1.16,;12.62,1.16,;9.54,1.16,;11.08,2.7,;12.42,3.47,;12.42,5.01,;11.08,5.78,;11.08,7.32,;12.42,8.09,;13.75,7.32,;13.75,5.78,)|
Show InChI InChI=1S/C21H26N2O3S/c1-16-10-12-19(13-11-16)23-21(24)18-8-5-9-20(14-18)27(25,26)22-15-17-6-3-2-4-7-17/h2-9,14,16,19,22H,10-13,15H2,1H3,(H,23,24)
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 8.42E+3n/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)


BindingDB Entry DOI: 10.7270/Q2GT5KR1
More data for this
Ligand-Target Pair