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Patent code US9695197

Compile Data Set for Download or QSAR
Found 11 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))
BDBM77064
PNG
(US9695197, 4)
Show SMILES CNC1=N[C@H]2[C@@H](S1)S[C@H](CO)[C@@H](O)[C@@H]2O
Show InChI InChI=1S/C8H14N2O3S2/c1-9-8-10-4-6(13)5(12)3(2-11)14-7(4)15-8/h3-7,11-13H,2H2,1H3,(H,9,10)/t3-,4-,5-,6-,7-/m1/s1
PDB

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US Patent
0.110n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

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...


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


(Homo sapiens (Human))
BDBM50323697
PNG
((3AR,5R,6S,7R,7AR)-2-(ETHYLAMINO)-5-(HYDROXYMETHYL...)
Show SMILES CCNC1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2O)S1
Show InChI InChI=1S/C9H16N2O4S/c1-2-10-9-11-5-7(14)6(13)4(3-12)15-8(5)16-9/h4-8,12-14H,2-3H2,1H3,(H,10,11)/t4-,5-,6-,7-,8-/m1/s1
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US Patent
0.400n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

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...


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


(Homo sapiens (Human))
BDBM77047
PNG
(US9695197, 3)
Show SMILES CCCNC1=N[C@H]2[C@@H](S1)S[C@H](CO)[C@@H](O)[C@@H]2O
Show InChI InChI=1S/C10H18N2O3S2/c1-2-3-11-10-12-6-8(15)7(14)5(4-13)16-9(6)17-10/h5-9,13-15H,2-4H2,1H3,(H,11,12)/t5-,6-,7-,8-,9-/m1/s1
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US Patent
1.40n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

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...


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


(Homo sapiens (Human))
BDBM70885
PNG
(US9695197, 2)
Show SMILES CCNC1=N[C@H]2[C@@H](S1)S[C@H](CO)[C@@H](O)[C@@H]2O
Show InChI InChI=1S/C9H16N2O3S2/c1-2-10-9-11-5-7(14)6(13)4(3-12)15-8(5)16-9/h4-8,12-14H,2-3H2,1H3,(H,10,11)/t4-,5-,6-,7-,8-/m1/s1
PDB

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3n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

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...


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


(Homo sapiens (Human))
BDBM70719
PNG
(US9695197, 1)
Show SMILES CCNC1=N[C@H]2[C@@H](O1)S[C@H](CO)[C@@H](O)[C@@H]2O
Show InChI InChI=1S/C9H16N2O4S/c1-2-10-9-11-5-7(14)6(13)4(3-12)16-8(5)15-9/h4-8,12-14H,2-3H2,1H3,(H,10,11)/t4-,5-,6-,7-,8+/m1/s1
PDB

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US Patent
3n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

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...


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


(Homo sapiens (Human))
BDBM77863
PNG
(US9695197, 5)
Show SMILES CCNC1=N[C@H]2[C@@H](S1)S[C@H](C(F)F)[C@@H](O)[C@@H]2O
Show InChI InChI=1S/C9H14F2N2O2S2/c1-2-12-9-13-3-4(14)5(15)6(7(10)11)16-8(3)17-9/h3-8,14-15H,2H2,1H3,(H,12,13)/t3-,4-,5+,6+,8-/m1/s1
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22n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

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...


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


(Homo sapiens (Human))
BDBM50323697
PNG
((3AR,5R,6S,7R,7AR)-2-(ETHYLAMINO)-5-(HYDROXYMETHYL...)
Show SMILES CCNC1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2O)S1
Show InChI InChI=1S/C9H16N2O4S/c1-2-10-9-11-5-7(14)6(13)4(3-12)15-8(5)16-9/h4-8,12-14H,2-3H2,1H3,(H,10,11)/t4-,5-,6-,7-,8-/m1/s1
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US Patent
n/an/an/an/a 13n/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ELISA portion of the assay is performed in a black Maxisorp 96-well plate that is coated overnight at 4° C. with 100 uL/well of the cell lysa...


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


(Homo sapiens (Human))
BDBM77863
PNG
(US9695197, 5)
Show SMILES CCNC1=N[C@H]2[C@@H](S1)S[C@H](C(F)F)[C@@H](O)[C@@H]2O
Show InChI InChI=1S/C9H14F2N2O2S2/c1-2-12-9-13-3-4(14)5(15)6(7(10)11)16-8(3)17-9/h3-8,14-15H,2H2,1H3,(H,12,13)/t3-,4-,5+,6+,8-/m1/s1
PDB

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US Patent
n/an/an/an/a 349n/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ELISA portion of the assay is performed in a black Maxisorp 96-well plate that is coated overnight at 4° C. with 100 uL/well of the cell lysa...


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


(Homo sapiens (Human))
BDBM77047
PNG
(US9695197, 3)
Show SMILES CCCNC1=N[C@H]2[C@@H](S1)S[C@H](CO)[C@@H](O)[C@@H]2O
Show InChI InChI=1S/C10H18N2O3S2/c1-2-3-11-10-12-6-8(15)7(14)5(4-13)16-9(6)17-10/h5-9,13-15H,2-4H2,1H3,(H,11,12)/t5-,6-,7-,8-,9-/m1/s1
PDB

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US Patent
n/an/an/an/a 29n/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ELISA portion of the assay is performed in a black Maxisorp 96-well plate that is coated overnight at 4° C. with 100 uL/well of the cell lysa...


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


(Homo sapiens (Human))
BDBM70885
PNG
(US9695197, 2)
Show SMILES CCNC1=N[C@H]2[C@@H](S1)S[C@H](CO)[C@@H](O)[C@@H]2O
Show InChI InChI=1S/C9H16N2O3S2/c1-2-10-9-11-5-7(14)6(13)4(3-12)15-8(5)16-9/h4-8,12-14H,2-3H2,1H3,(H,10,11)/t4-,5-,6-,7-,8-/m1/s1
PDB

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UniChem
US Patent
n/an/an/an/a 139n/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ELISA portion of the assay is performed in a black Maxisorp 96-well plate that is coated overnight at 4° C. with 100 uL/well of the cell lysa...


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


(Homo sapiens (Human))
BDBM77064
PNG
(US9695197, 4)
Show SMILES CNC1=N[C@H]2[C@@H](S1)S[C@H](CO)[C@@H](O)[C@@H]2O
Show InChI InChI=1S/C8H14N2O3S2/c1-9-8-10-4-6(13)5(12)3(2-11)14-7(4)15-8/h3-7,11-13H,2H2,1H3,(H,9,10)/t3-,4-,5-,6-,7-/m1/s1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 3n/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ELISA portion of the assay is performed in a black Maxisorp 96-well plate that is coated overnight at 4° C. with 100 uL/well of the cell lysa...


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