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SMILES: CC(C)c1cc(CNC(=O)c2ccc(C#N)c(OC3CCN(C)CC3)c2)on1

InChI Key: InChIKey=BELWYPHIWGNHNP-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50196415   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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))		BDBM50196415
PNG
(CHEMBL3970338)
Show SMILES CC(C)c1cc(CNC(=O)c2ccc(C#N)c(OC3CCN(C)CC3)c2)on1
Show InChI InChI=1S/C21H26N4O3/c1-14(2)19-11-18(28-24-19)13-23-21(26)15-4-5-16(12-22)20(10-15)27-17-6-8-25(3)9-7-17/h4-5,10-11,14,17H,6-9,13H2,1-3H3,(H,23,26)
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PC cid
PC sid
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Article
PubMed
n/an/a 3.35E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]choline uptake at human choline transporter expressed in HEK293 cells preincubated for 15 mins followed by [3H]choline addition mea...

Bioorg Med Chem Lett 26: 4637-4640 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.062
BindingDB Entry DOI: 10.7270/Q27D2X2R
More data for this
Ligand-Target Pair