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SMILES: CNC1=N[C@H]2[C@H](O[C@H]([C@@H](OCc3ccc(CCCF)cc3)C(F)(F)F)[C@@H](O)[C@@H]2O)S1

InChI Key: InChIKey=AXEHWBKABLBAIM-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 = 314796   
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))		BDBM314796
PNG
((3aR,5S,6S,7R,7aR)-2- (methylamino)-5-((R)-2,2,2- ...)
Show SMILES CNC1=N[C@H]2[C@H](O[C@H]([C@@H](OCc3ccc(CCCF)cc3)C(F)(F)F)[C@@H](O)[C@@H]2O)S1 |t:2|
Show InChI InChI=1S/C19H24F4N2O4S/c1-24-18-25-12-13(26)14(27)15(29-17(12)30-18)16(19(21,22)23)28-9-11-6-4-10(5-7-11)3-2-8-20/h4-7,12-17,26-27H,2-3,8-9H2,1H3,(H,24,25)/t12-,13-,14+,15+,16-,17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 0.590n/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