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SMILES: CN(C)C1=N[C@H]2[C@H](O[C@H]([C@@H](OCc3ccc(OCCF)cc3)C(F)(F)F)[C@@H](O)[C@@H]2O)S1

InChI Key: InChIKey=IIQUEDGQNCJJHE-KOWPAETKSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 314778   
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
Protein O-GlcNAcase


(Homo sapiens (Human))		BDBM314778
PNG
((3aR,5S,6S,7R,7aR)-2- (dimethylamino)-5-((R)-2,2,2...)
Show SMILES CN(C)C1=N[C@H]2[C@H](O[C@H]([C@@H](OCc3ccc(OCCF)cc3)C(F)(F)F)[C@@H](O)[C@@H]2O)S1 |t:3|
Show InChI InChI=1S/C19H24F4N2O5S/c1-25(2)18-24-12-13(26)14(27)15(30-17(12)31-18)16(19(21,22)23)29-9-10-3-5-11(6-4-10)28-8-7-20/h3-6,12-17,26-27H,7-9H2,1-2H3/t12-,13-,14+,15+,16-,17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 0.650n/an/an/an/an/an/an/an/a



ALECTOS THERAPEUTICS, INC.; MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acet...

US Patent US9611275 (2017)


BindingDB Entry DOI: 10.7270/Q2833V4D
More data for this
Ligand-Target Pair