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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 7139   
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
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM177755
PNG
(US9120781, 18)
Show SMILES OC[C@H]1C[C@@H]2OC(=N[C@@H]2[C@@H](O)[C@@H]1O)N1CCC1 |r,c:6|
Show InChI InChI=1/C11H18N2O4/c14-5-6-4-7-8(10(16)9(6)15)12-11(17-7)13-2-1-3-13/h6-10,14-16H,1-5H2/t6-,7+,8+,9-,10-/s2
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
0.130 -56.4n/an/an/an/an/a7.025



Simon Fraser University; Merck Sharp & Dohme Corp.; Alectos Therapeutics Inc.

US Patent


Assay Description
Enzymatic reactions are 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-acety...


US Patent US9120781 (2015)


BindingDB Entry DOI: 10.7270/Q2DZ072S
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM177758
PNG
(US9120781, 26)
Show SMILES CNC1=N[C@H]2[C@H](C[C@H](CO)[C@@H](O)[C@@H]2O)S1 |r,t:2|
Show InChI InChI=1/C9H16N2O3S/c1-10-9-11-6-5(15-9)2-4(3-12)7(13)8(6)14/h4-8,12-14H,2-3H2,1H3,(H,10,11)/t4-,5+,6+,7-,8-/s2
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.200 -55.4n/an/an/an/an/a7.025



Simon Fraser University; Merck Sharp & Dohme Corp.; Alectos Therapeutics Inc.

US Patent


Assay Description
Enzymatic reactions are 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-acety...


US Patent US9120781 (2015)


BindingDB Entry DOI: 10.7270/Q2DZ072S
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM177756
PNG
(US9120781, 22)
Show SMILES CN(C)C1=N[C@H]2[C@H](C[C@H](CO)[C@@H](O)[C@@H]2O)S1 |r,t:3|
Show InChI InChI=1/C10H18N2O3S/c1-12(2)10-11-7-6(16-10)3-5(4-13)8(14)9(7)15/h5-9,13-15H,3-4H2,1-2H3/t5-,6+,7+,8-,9-/s2
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.5 -53.1n/an/an/an/an/a7.025



Simon Fraser University; Merck Sharp & Dohme Corp.; Alectos Therapeutics Inc.

US Patent


Assay Description
Enzymatic reactions are 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-acety...


US Patent US9120781 (2015)


BindingDB Entry DOI: 10.7270/Q2DZ072S
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM177753
PNG
(US9120781, 9)
Show SMILES CCNC1=N[C@H]2[C@H](C[C@H](CO)[C@@H](O)[C@@H]2O)O1 |r,t:3|
Show InChI InChI=1/C10H18N2O4/c1-2-11-10-12-7-6(16-10)3-5(4-13)8(14)9(7)15/h5-9,13-15H,2-4H2,1H3,(H,11,12)/t5-,6+,7+,8-,9-/s2
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
US Patent
0.600 -52.6n/an/an/an/an/a7.025



Simon Fraser University; Merck Sharp & Dohme Corp.; Alectos Therapeutics Inc.

US Patent


Assay Description
Enzymatic reactions are 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-acety...


US Patent US9120781 (2015)


BindingDB Entry DOI: 10.7270/Q2DZ072S
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM177759
PNG
(US9120781, 32)
Show SMILES OC[C@H]1C[C@@H]2OC(NCCF)=N[C@@H]2[C@@H](O)[C@@H]1O |r,c:10|
Show InChI InChI=1/C10H17FN2O4/c11-1-2-12-10-13-7-6(17-10)3-5(4-14)8(15)9(7)16/h5-9,14-16H,1-4H2,(H,12,13)/t5-,6+,7+,8-,9-/s2
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
2.5 -49.1n/an/an/an/an/a7.025



Simon Fraser University; Merck Sharp & Dohme Corp.; Alectos Therapeutics Inc.

US Patent


Assay Description
Enzymatic reactions are 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-acety...


US Patent US9120781 (2015)


BindingDB Entry DOI: 10.7270/Q2DZ072S
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM177754
PNG
(US9120781, 13)
Show SMILES CC1=N[C@H]2[C@H](C[C@H](CO)[C@@H](O)[C@@H]2O)O1 |r,t:1|
Show InChI InChI=1/C9H15NO4/c1-4-10-7-6(14-4)2-5(3-11)8(12)9(7)13/h5-9,11-13H,2-3H2,1H3/t5-,6+,7+,8-,9-/s2
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
7.40 -46.4n/an/an/an/an/a7.025



Simon Fraser University; Merck Sharp & Dohme Corp.; Alectos Therapeutics Inc.

US Patent


Assay Description
Enzymatic reactions are 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-acety...


US Patent US9120781 (2015)


BindingDB Entry DOI: 10.7270/Q2DZ072S
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM177757
PNG
(US9120781, 23)
Show SMILES CN(C)C1=N[C@@H]2[C@@H](C[C@@H](CO)[C@H](O)[C@H]2O)S1 |r,t:3|
Show InChI InChI=1/C10H18N2O3S/c1-12(2)10-11-7-6(16-10)3-5(4-13)8(14)9(7)15/h5-9,13-15H,3-4H2,1-2H3/t5-,6+,7+,8-,9-/s2
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
484 -36.0n/an/an/an/an/a7.025



Simon Fraser University; Merck Sharp & Dohme Corp.; Alectos Therapeutics Inc.

US Patent


Assay Description
Enzymatic reactions are 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-acety...


US Patent US9120781 (2015)


BindingDB Entry DOI: 10.7270/Q2DZ072S
More data for this
Ligand-Target Pair