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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Protein O-GlcNAcase' and Ligand = 'BDBM142081'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM142081
PNG
(US8933040, 3)
Show SMILES OC[C@H]1O[C@@H]2SC(=N[C@@H]2[C@@H](O)[C@@H]1O)N1CC(F)C1 |r,c:6|
Show InChI InChI=1S/C10H15FN2O4S/c11-4-1-13(2-4)10-12-6-8(16)7(15)5(3-14)17-9(6)18-10/h4-9,14-16H,1-3H2/t5-,6-,7-,8-,9-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
30 -42.9n/an/an/an/an/a7.025



TBA

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 US8933040 (2015)


BindingDB Entry DOI: 10.7270/Q2XG9PVQ
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM142081
PNG
(US8933040, 3)
Show SMILES OC[C@H]1O[C@@H]2SC(=N[C@@H]2[C@@H](O)[C@@H]1O)N1CC(F)C1 |r,c:6|
Show InChI InChI=1S/C10H15FN2O4S/c11-4-1-13(2-4)10-12-6-8(16)7(15)5(3-14)17-9(6)18-10/h4-9,14-16H,1-3H2/t5-,6-,7-,8-,9-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>3.00E+3n/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