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SMILES: Oc1ccc(CCNCc2ccccc2C(=O)NCCCCc2ccc(OC(F)(F)F)cc2)cc1

InChI Key: InChIKey=UWGSPSNBAPGJOF-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50138554   
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
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))		BDBM50138554
PNG
(2-{[2-(4-Hydroxy-phenyl)-ethylamino]-methyl}-N-[4-...)
Show SMILES Oc1ccc(CCNCc2ccccc2C(=O)NCCCCc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C27H29F3N2O3/c28-27(29,30)35-24-14-10-20(11-15-24)5-3-4-17-32-26(34)25-7-2-1-6-22(25)19-31-18-16-21-8-12-23(33)13-9-21/h1-2,6-15,31,33H,3-5,16-19H2,(H,32,34)
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Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line

Bioorg Med Chem Lett 14: 545-8 (2003)


BindingDB Entry DOI: 10.7270/Q2M9083Z
More data for this
Ligand-Target Pair