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SMILES: CCc1cc(cc(OC)c1C(=O)N[C@H]1COCC[C@@H]1N1CCCC1)C(F)(F)F

InChI Key: InChIKey=SXWTXKRAVWVHMI-HOTGVXAUSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 100973   
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 1


(Bos taurus (Bovine))		BDBM100973
PNG
(US8524909, 55)
Show SMILES CCc1cc(cc(OC)c1C(=O)N[C@H]1COCC[C@@H]1N1CCCC1)C(F)(F)F |r|
Show InChI InChI=1S/C20H27F3N2O3/c1-3-13-10-14(20(21,22)23)11-17(27-2)18(13)19(26)24-15-12-28-9-6-16(15)25-7-4-5-8-25/h10-11,15-16H,3-9,12H2,1-2H3,(H,24,26)/t15-,16-/m0/s1
PDB

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Similars
US Patent
n/an/a 48.3n/an/an/an/an/a0



Hoffmann-La Roche Inc.

US Patent


Assay Description
Glycine uptake inhibition assay.

US Patent US8524909 (2013)


BindingDB Entry DOI: 10.7270/Q2QJ7FXS
More data for this
Ligand-Target Pair