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SMILES: [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])N=C(S2)N1CC[C@@H](F)C1

InChI Key: InChIKey=VCSHCJSUIAAFJA-ZXEGLVKPSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50513964   
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))
BDBM50513964
PNG
(CHEMBL4454942)
Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])N=C(S2)N1CC[C@@H](F)C1 |r,c:13|
Show InChI InChI=1S/C11H17FN2O4S/c12-5-1-2-14(3-5)11-13-7-9(17)8(16)6(4-15)18-10(7)19-11/h5-10,15-17H,1-4H2/t5-,6-,7-,8-,9-,10-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
960n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human OGA


J Med Chem 62: 10062-10097 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01090
BindingDB Entry DOI: 10.7270/Q21G0QMH
More data for this
Ligand-Target Pair
Beta-hexosaminidase subunit beta


(Homo sapiens (Human))
BDBM50513964
PNG
(CHEMBL4454942)
Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])N=C(S2)N1CC[C@@H](F)C1 |r,c:13|
Show InChI InChI=1S/C11H17FN2O4S/c12-5-1-2-14(3-5)11-13-7-9(17)8(16)6(4-15)18-10(7)19-11/h5-10,15-17H,1-4H2/t5-,6-,7-,8-,9-,10-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of human beta hexosaminidase assessed as inhibitory constant using 4-methylumbelliferyl N-acetyl-beta-D-glucosaminide dihydrate as substra...


J Med Chem 62: 10062-10097 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01090
BindingDB Entry DOI: 10.7270/Q21G0QMH
More data for this
Ligand-Target Pair