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Patent code US9670195

Compile Data Set for Download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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))
BDBM189853
PNG
(US9670195, Table 4.1)
Show SMILES CC(=O)N[C@H]1CN[C@@H](CO)[C@@H]1O
Show InChI InChI=1S/C7H14N2O3/c1-4(11)9-5-2-8-6(3-10)7(5)12/h5-8,10,12H,2-3H2,1H3,(H,9,11)/t5-,6-,7+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
5.90E+3n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM189854
PNG
(US9670195, Table 4.2)
Show SMILES CCCCN1C[C@H](NC(C)=O)[C@@H](O)[C@@H]1CO
Show InChI InChI=1S/C11H22N2O3/c1-3-4-5-13-6-9(12-8(2)15)11(16)10(13)7-14/h9-11,14,16H,3-7H2,1-2H3,(H,12,15)/t9-,10-,11+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.50E+4n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM189855
PNG
(US9670195, Table 4.3)
Show SMILES CC(=O)N[C@H]1CN(CCCc2ccccc2)[C@@H](CO)[C@@H]1O
Show InChI InChI=1S/C16H24N2O3/c1-12(20)17-14-10-18(15(11-19)16(14)21)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,14-16,19,21H,5,8-11H2,1H3,(H,17,20)/t14-,15-,16+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.65E+4n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%