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BDBM240654 US9409924, 20

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

InChI Key: InChIKey=FPVDORYJNSIAFJ-HNUVKUANNA-N

Data: 1 KI  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 240654   
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
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM240654
PNG
(US9409924, 20)
Show SMILES CNC1=N[C@@H]2C[C@H](O)[C@H](O[C@@H]2S1)[C@@H](O)C(F)(F)F
Show InChI InChI=1/C9H13F3N2O3S/c1-13-8-14-3-2-4(15)5(17-7(3)18-8)6(16)9(10,11)12/h3-7,15-16H,2H2,1H3,(H,13,14)/t3-,4+,5+,6-,7-/s2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
3.5 -11.5n/an/an/an/an/a7.025



Alectos Therapeutics Inc

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 US9409924 (2016)


BindingDB Entry DOI: 10.7270/Q26H4G90
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM240654
PNG
(US9409924, 20)
Show SMILES CNC1=N[C@@H]2C[C@H](O)[C@H](O[C@@H]2S1)[C@@H](O)C(F)(F)F
Show InChI InChI=1/C9H13F3N2O3S/c1-13-8-14-3-2-4(15)5(17-7(3)18-8)6(16)9(10,11)12/h3-7,15-16H,2H2,1H3,(H,13,14)/t3-,4+,5+,6-,7-/s2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 50n/an/an/an/a



Alectos Therapeutics Inc

US Patent


Assay Description
Inhibition of O-GlcNAcase, which removes O-GlcNAc from cellular proteins, results in an increase in the level of O-GlcNAcylated protein in cells. An ...


US Patent US9409924 (2016)


BindingDB Entry DOI: 10.7270/Q26H4G90
More data for this
Ligand-Target Pair