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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 = 'BDBM50513933'   
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))
BDBM50513933
PNG
(CHEMBL4513613)
Show SMILES [H][C@]12O[C@H](C(F)F)[C@@H](O)[C@H](O)[C@@]1([H])N=C(N)S2 |r,t:14|
Show InChI InChI=1S/C7H10F2N2O3S/c8-5(9)4-3(13)2(12)1-6(14-4)15-7(10)11-1/h1-6,12-13H,(H2,10,11)/t1-,2-,3+,4+,6-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
760n/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
Protein O-GlcNAcase


(Rattus norvegicus)
BDBM50513933
PNG
(CHEMBL4513613)
Show SMILES [H][C@]12O[C@H](C(F)F)[C@@H](O)[C@H](O)[C@@]1([H])N=C(N)S2 |r,t:14|
Show InChI InChI=1S/C7H10F2N2O3S/c8-5(9)4-3(13)2(12)1-6(14-4)15-7(10)11-1/h1-6,12-13H,(H2,10,11)/t1-,2-,3+,4+,6-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.40E+3n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of OGA in rat PC12 cells assessed as OGlcNAcylated protein level incubated for 24 hrs by ELISA


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