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Patent code US8901087

Compile Data Set for Download or QSAR
Found 39 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
Protein O-GlcNAcase


(Homo sapiens (Human))		BDBM139926
PNG
(US8901087, 2)
Show SMILES CCCNC1=N[C@H]2[C@H](O[C@H]([C@H](C)O)[C@@H](O)[C@@H]2O)S1 |t:4|
Show InChI InChI=1S/C11H20N2O4S/c1-3-4-12-11-13-6-7(15)8(16)9(5(2)14)17-10(6)18-11/h5-10,14-16H,3-4H2,1-2H3,(H,12,13)/t5-,6+,7+,8-,9+,10+/m0/s1
PDB

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US Patent
 0.0500 -58.8n/an/an/an/an/a7.025



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...

US Patent US8901087 (2014)


BindingDB Entry DOI: 10.7270/Q24B301W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))		BDBM139933
PNG
(US8901087, 27)
Show SMILES CCNC1=N[C@H]2[C@H](O[C@H]([C@H](C)O)[C@@H](O)[C@@H]2O)S1 |t:3|
Show InChI InChI=1S/C10H18N2O4S/c1-3-11-10-12-5-6(14)7(15)8(4(2)13)16-9(5)17-10/h4-9,13-15H,3H2,1-2H3,(H,11,12)/t4-,5+,6+,7-,8+,9+/m0/s1
PDB

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US Patent
 0.120 -56.6n/an/an/an/an/a7.025



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...

US Patent US8901087 (2014)


BindingDB Entry DOI: 10.7270/Q24B301W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))		BDBM139959
PNG
(US8901087, 191)
Show SMILES CNC1=N[C@H]2[C@H](O[C@H]([C@@H](O)C(F)F)[C@@H](O)[C@@H]2O)S1 |t:2|
Show InChI InChI=1S/C9H14F2N2O4S/c1-12-9-13-2-3(14)4(15)6(5(16)7(10)11)17-8(2)18-9/h2-8,14-16H,1H3,(H,12,13)/t2-,3-,4+,5-,6+,8-/m1/s1
PDB

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US Patent
 0.140 -56.2n/an/an/an/an/a7.025



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...

US Patent US8901087 (2014)


BindingDB Entry DOI: 10.7270/Q24B301W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))		BDBM139951
PNG
(US8901087, 95)
Show SMILES CNC1=N[C@H]2[C@H](O[C@H]([C@@H](O)C(F)(F)F)[C@@H](O)[C@@H]2O)S1 |t:2|
Show InChI InChI=1S/C9H13F3N2O4S/c1-13-8-14-2-3(15)4(16)5(18-7(2)19-8)6(17)9(10,11)12/h2-7,15-17H,1H3,(H,13,14)/t2-,3-,4+,5+,6-,7-/m1/s1
PDB

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US Patent
 0.160 -55.9n/an/an/an/an/a7.025



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...

US Patent US8901087 (2014)


BindingDB Entry DOI: 10.7270/Q24B301W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))		BDBM139925
PNG
(US8901087, 1)
Show SMILES C[C@H](O)[C@H]1O[C@@H]2SC(=N[C@@H]2[C@@H](O)[C@@H]1O)N(C)C |c:7|
Show InChI InChI=1S/C10H18N2O4S/c1-4(13)8-7(15)6(14)5-9(16-8)17-10(11-5)12(2)3/h4-9,13-15H,1-3H3/t4-,5+,6+,7-,8+,9+/m0/s1
PDB

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US Patent
 0.170 -55.8n/an/an/an/an/a7.025



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...

US Patent US8901087 (2014)


BindingDB Entry DOI: 10.7270/Q24B301W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))		BDBM139952
PNG
(US8901087, 97)
Show SMILES CCCNC1=N[C@H]2[C@H](O[C@H]([C@@H](O)C(F)(F)F)[C@@H](O)[C@@H]2O)S1 |t:4|
Show InChI InChI=1S/C11H17F3N2O4S/c1-2-3-15-10-16-4-5(17)6(18)7(20-9(4)21-10)8(19)11(12,13)14/h4-9,17-19H,2-3H2,1H3,(H,15,16)/t4-,5-,6+,7+,8-,9-/m1/s1
PDB

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US Patent
 0.170 -55.8n/an/an/an/an/a7.025



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...

US Patent US8901087 (2014)


BindingDB Entry DOI: 10.7270/Q24B301W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))		BDBM139946
PNG
(US8901087, 76)
Show SMILES C[C@H](O)[C@H]1O[C@@H]2SC(=N[C@@H]2[C@@H](O)[C@@H]1O)N1CCC1 |c:7|
Show InChI InChI=1S/C11H18N2O4S/c1-5(14)9-8(16)7(15)6-10(17-9)18-11(12-6)13-3-2-4-13/h5-10,14-16H,2-4H2,1H3/t5-,6+,7+,8-,9+,10+/m0/s1
PDB

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US Patent
 0.180 -55.6n/an/an/an/an/a7.025



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...

US Patent US8901087 (2014)


BindingDB Entry DOI: 10.7270/Q24B301W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))		BDBM46008
PNG
(US8901087, 96)
Show SMILES CN(C)C1=N[C@H]2[C@H](O[C@H](C(O)C3SCCCS3)[C@@H](COCc3ccccc3)[C@@H]2OCc2ccccc2)S1 |t:3|
Show InChI InChI=1S/C28H36N2O4S3/c1-30(2)28-29-22-24(33-17-20-12-7-4-8-13-20)21(18-32-16-19-10-5-3-6-11-19)25(34-26(22)37-28)23(31)27-35-14-9-15-36-27/h3-8,10-13,21-27,31H,9,14-18H2,1-2H3/t21-,22+,23?,24-,25-,26+/m0/s1
PDB

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US Patent
 0.190 -55.5n/an/an/an/an/a7.025



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...

US Patent US8901087 (2014)


BindingDB Entry DOI: 10.7270/Q24B301W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))		BDBM139941
PNG
(US8901087, 63)
Show SMILES CN(C)C1=N[C@H]2[C@H](O[C@H]([C@@H](O)C=C)[C@@H](O)[C@@H]2O)S1 |t:3|
Show InChI InChI=1S/C11H18N2O4S/c1-4-5(14)9-8(16)7(15)6-10(17-9)18-11(12-6)13(2)3/h4-10,14-16H,1H2,2-3H3/t5-,6+,7+,8-,9+,10+/m0/s1
PDB

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US Patent
 0.220 -55.1n/an/an/an/an/a7.025



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...

US Patent US8901087 (2014)


BindingDB Entry DOI: 10.7270/Q24B301W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))		BDBM139930
PNG
(US8901087, 11)
Show SMILES CN(C)C1=N[C@H]2[C@H](O[C@H]([C@@H](O)C(F)(F)F)[C@@H](O)[C@@H]2O)S1 |t:3|
Show InChI InChI=1S/C10H15F3N2O4S/c1-15(2)9-14-3-4(16)5(17)6(19-8(3)20-9)7(18)10(11,12)13/h3-8,16-18H,1-2H3/t3-,4-,5+,6+,7-,8-/m1/s1
PDB

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US Patent
 0.300 -54.4n/an/an/an/an/a7.025



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...

US Patent US8901087 (2014)


BindingDB Entry DOI: 10.7270/Q24B301W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))		BDBM139939
PNG
(US8901087, 57)
Show SMILES CCN(C)C1=N[C@H]2[C@H](O[C@H](C(C)O)[C@@H](O)[C@@H]2O)S1 |t:4|
Show InChI InChI=1S/C11H20N2O4S/c1-4-13(3)11-12-6-7(15)8(16)9(5(2)14)17-10(6)18-11/h5-10,14-16H,4H2,1-3H3/t5?,6-,7-,8+,9-,10-/m1/s1
PDB

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US Patent
 0.330 -54.1n/an/an/an/an/a7.025



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...

US Patent US8901087 (2014)


BindingDB Entry DOI: 10.7270/Q24B301W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))		BDBM139931
PNG
(US8901087, 13)
Show SMILES CNC1=N[C@H]2[C@H](O[C@H]([C@H](C)O)[C@@H](O)[C@@H]2O)S1 |t:2|
Show InChI InChI=1S/C9H16N2O4S/c1-3(12)7-6(14)5(13)4-8(15-7)16-9(10-2)11-4/h3-8,12-14H,1-2H3,(H,10,11)/t3-,4+,5+,6-,7+,8+/m0/s1
PDB

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 0.400 -53.6n/an/an/an/an/a7.025



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...

US Patent US8901087 (2014)


BindingDB Entry DOI: 10.7270/Q24B301W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))		BDBM139961
PNG
(US8901087, 211)
Show SMILES CCN(C)C1=N[C@H]2[C@H](O[C@H]([C@@H](O)C(F)(F)F)[C@@H](O)[C@@H]2O)S1 |t:4|
Show InChI InChI=1S/C11H17F3N2O4S/c1-3-16(2)10-15-4-5(17)6(18)7(20-9(4)21-10)8(19)11(12,13)14/h4-9,17-19H,3H2,1-2H3/t4-,5-,6+,7+,8-,9-/m1/s1
PDB

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US Patent
 0.440 -53.4n/an/an/an/an/a7.025



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...

US Patent US8901087 (2014)


BindingDB Entry DOI: 10.7270/Q24B301W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))		BDBM139942
PNG
(US8901087, 65)
Show SMILES CN(C)C1=N[C@H]2[C@H](O[C@H]([C@@H](O)C(C)=C)[C@@H](O)[C@@H]2O)S1 |t:3|
Show InChI InChI=1S/C12H20N2O4S/c1-5(2)7(15)10-9(17)8(16)6-11(18-10)19-12(13-6)14(3)4/h6-11,15-17H,1H2,2-4H3/t6-,7+,8-,9+,10-,11-/m1/s1
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US Patent
 0.450 -53.3n/an/an/an/an/a7.025



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...

US Patent US8901087 (2014)


BindingDB Entry DOI: 10.7270/Q24B301W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))		BDBM139948
PNG
(US8901087, 80)
Show SMILES O[C@@H](C=C)[C@H]1O[C@@H]2SC(=N[C@@H]2[C@@H](O)[C@@H]1O)N1CCC1 |c:8|
Show InChI InChI=1S/C12H18N2O4S/c1-2-6(15)10-9(17)8(16)7-11(18-10)19-12(13-7)14-4-3-5-14/h2,6-11,15-17H,1,3-5H2/t6-,7+,8+,9-,10+,11+/m0/s1
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 0.5 -53.1n/an/an/an/an/a7.025



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...

US Patent US8901087 (2014)


BindingDB Entry DOI: 10.7270/Q24B301W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))		BDBM139950
PNG
(US8901087, 91)
Show SMILES C[C@H](O)[C@H]1O[C@@H]2SC(=N[C@@H]2[C@@H](O)[C@@H]1O)N1CCCC1 |c:7|
Show InChI InChI=1S/C12H20N2O4S/c1-6(15)10-9(17)8(16)7-11(18-10)19-12(13-7)14-4-2-3-5-14/h6-11,15-17H,2-5H2,1H3/t6-,7+,8+,9-,10+,11+/m0/s1
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US Patent
 0.530 -52.9n/an/an/an/an/a7.025



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...

US Patent US8901087 (2014)


BindingDB Entry DOI: 10.7270/Q24B301W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))		BDBM139929
PNG
(US8901087, 8)
Show SMILES CC[C@H]1O[C@@H]2SC(NC)=N[C@@H]2[C@@H](O)[C@@H]1O |c:8|
Show InChI InChI=1S/C9H16N2O3S/c1-3-4-6(12)7(13)5-8(14-4)15-9(10-2)11-5/h4-8,12-13H,3H2,1-2H3,(H,10,11)/t4-,5-,6-,7-,8-/m1/s1
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US Patent
 0.680 -52.3n/an/an/an/an/a7.025



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...

US Patent US8901087 (2014)


BindingDB Entry DOI: 10.7270/Q24B301W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))		BDBM139932
PNG
(US8901087, 25)
Show SMILES CNC1=N[C@H]2[C@H](O[C@H]([C@@H](O)CC=C)[C@@H](O)[C@@H]2O)S1 |t:2|
Show InChI InChI=1S/C11H18N2O4S/c1-3-4-5(14)9-8(16)7(15)6-10(17-9)18-11(12-2)13-6/h3,5-10,14-16H,1,4H2,2H3,(H,12,13)/t5-,6+,7+,8-,9+,10+/m0/s1
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 0.700 -52.3n/an/an/an/an/a7.025



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...

US Patent US8901087 (2014)


BindingDB Entry DOI: 10.7270/Q24B301W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))		BDBM139938
PNG
(US8901087, 53)
Show SMILES C[C@H](O)[C@H]1O[C@@H]2SC(NCC3CC3)=N[C@@H]2[C@@H](O)[C@@H]1O |c:13|
Show InChI InChI=1S/C12H20N2O4S/c1-5(15)10-9(17)8(16)7-11(18-10)19-12(14-7)13-4-6-2-3-6/h5-11,15-17H,2-4H2,1H3,(H,13,14)/t5-,7+,8+,9-,10+,11+/m0/s1
PDB

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US Patent
 0.700 -52.3n/an/an/an/an/a7.025



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...

US Patent US8901087 (2014)


BindingDB Entry DOI: 10.7270/Q24B301W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))		BDBM139958
PNG
(US8901087, 181)
Show SMILES CNC1=N[C@H]2[C@H](O[C@H]([C@@H](C)F)[C@@H](O)[C@@H]2O)S1 |t:2|
Show InChI InChI=1S/C9H15FN2O3S/c1-3(10)7-6(14)5(13)4-8(15-7)16-9(11-2)12-4/h3-8,13-14H,1-2H3,(H,11,12)/t3-,4-,5-,6+,7-,8-/m1/s1
PDB

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US Patent
 0.800 -51.9n/an/an/an/an/a7.025



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...

US Patent US8901087 (2014)


BindingDB Entry DOI: 10.7270/Q24B301W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))		BDBM139956
PNG
(US8901087, 141)
Show SMILES C[C@H](O)[C@H]1O[C@@H]2SC(NCCF)=N[C@@H]2[C@@H](O)[C@@H]1O |c:11|
Show InChI InChI=1S/C10H17FN2O4S/c1-4(14)8-7(16)6(15)5-9(17-8)18-10(13-5)12-3-2-11/h4-9,14-16H,2-3H2,1H3,(H,12,13)/t4-,5+,6+,7-,8+,9+/m0/s1
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US Patent
 0.820 -51.9n/an/an/an/an/a7.025



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...

US Patent US8901087 (2014)


BindingDB Entry DOI: 10.7270/Q24B301W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))		BDBM139927
PNG
(US8901087, 3)
Show SMILES CNC1=N[C@H]2[C@H](O[C@@H]([C@@H](O)[C@@H]2O)C(C)(C)O)S1 |t:2|
Show InChI InChI=1S/C10H18N2O4S/c1-10(2,15)7-6(14)5(13)4-8(16-7)17-9(11-3)12-4/h4-8,13-15H,1-3H3,(H,11,12)/t4-,5-,6+,7+,8-/m1/s1
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US Patent
 0.900 -51.6n/an/an/an/an/a7.025



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...

US Patent US8901087 (2014)


BindingDB Entry DOI: 10.7270/Q24B301W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))		BDBM139935
PNG
(US8901087, 42)
Show SMILES CCCNC1=N[C@H]2[C@H](O[C@H]([C@@H](O)C=C)[C@@H](O)[C@@H]2O)S1 |t:4|
Show InChI InChI=1S/C12H20N2O4S/c1-3-5-13-12-14-7-8(16)9(17)10(6(15)4-2)18-11(7)19-12/h4,6-11,15-17H,2-3,5H2,1H3,(H,13,14)/t6-,7+,8+,9-,10+,11+/m0/s1
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US Patent
 1.03 -51.3n/an/an/an/an/a7.025



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...

US Patent US8901087 (2014)


BindingDB Entry DOI: 10.7270/Q24B301W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))		BDBM139957
PNG
(US8901087, 159)
Show SMILES CNC1=N[C@H]2[C@H](O[C@@H]([C@@H](O)[C@@H]2O)C(C)(O)C(F)(F)F)S1 |t:2|
Show InChI InChI=1S/C10H15F3N2O4S/c1-9(18,10(11,12)13)6-5(17)4(16)3-7(19-6)20-8(14-2)15-3/h3-7,16-18H,1-2H3,(H,14,15)/t3-,4-,5+,6+,7-,9?/m1/s1
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US Patent
 1.25 -50.8n/an/an/an/an/a7.025



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...

US Patent US8901087 (2014)


BindingDB Entry DOI: 10.7270/Q24B301W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))		BDBM139943
PNG
(US8901087, 67)
Show SMILES CN(C)C1=N[C@H]2[C@H](O[C@H]([C@@H](O)CC=C)[C@@H](O)[C@@H]2O)S1 |t:3|
Show InChI InChI=1S/C12H20N2O4S/c1-4-5-6(15)10-9(17)8(16)7-11(18-10)19-12(13-7)14(2)3/h4,6-11,15-17H,1,5H2,2-3H3/t6-,7+,8+,9-,10+,11+/m0/s1
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US Patent
 1.25 -50.8n/an/an/an/an/a7.025



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...

US Patent US8901087 (2014)


BindingDB Entry DOI: 10.7270/Q24B301W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))		BDBM139953
PNG
(US8901087, 98)
Show SMILES CON(C)C1=N[C@H]2[C@H](O[C@H]([C@@H](O)C(F)(F)F)[C@@H](O)[C@@H]2O)S1 |t:4|
Show InChI InChI=1S/C10H15F3N2O5S/c1-15(19-2)9-14-3-4(16)5(17)6(20-8(3)21-9)7(18)10(11,12)13/h3-8,16-18H,1-2H3/t3-,4-,5+,6+,7-,8-/m1/s1
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US Patent
 1.43 -50.5n/an/an/an/an/a7.025



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...

US Patent US8901087 (2014)


BindingDB Entry DOI: 10.7270/Q24B301W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))		BDBM139962
PNG
(US8901087, 215)
Show SMILES O[C@@H]([C@H]1O[C@@H]2SC(NCCF)=N[C@@H]2[C@@H](O)[C@@H]1O)C(F)(F)F |c:10|
Show InChI InChI=1S/C10H14F4N2O4S/c11-1-2-15-9-16-3-4(17)5(18)6(20-8(3)21-9)7(19)10(12,13)14/h3-8,17-19H,1-2H2,(H,15,16)/t3-,4-,5+,6+,7+,8-/m1/s1
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US Patent
 1.80 -49.9n/an/an/an/an/a7.025



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...

US Patent US8901087 (2014)


BindingDB Entry DOI: 10.7270/Q24B301W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))		BDBM139940
PNG
(US8901087, 61)
Show SMILES CCN(C)C1=N[C@H]2[C@H](O[C@@H](C(O)C=C)[C@@H](O)[C@@H]2O)S1 |t:4|
Show InChI InChI=1S/C12H20N2O4S/c1-4-6(15)10-9(17)8(16)7-11(18-10)19-12(13-7)14(3)5-2/h4,6-11,15-17H,1,5H2,2-3H3/t6?,7-,8-,9+,10+,11-/m1/s1
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 2.46 -49.1n/an/an/an/an/a7.025



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...

US Patent US8901087 (2014)


BindingDB Entry DOI: 10.7270/Q24B301W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))		BDBM139928
PNG
(US8901087, 4)
Show SMILES CN(C)C1=N[C@H]2[C@H](O[C@@H]([C@@H](O)[C@@H]2O)C(C)(C)O)S1 |t:3|
Show InChI InChI=1S/C11H20N2O4S/c1-11(2,16)8-7(15)6(14)5-9(17-8)18-10(12-5)13(3)4/h5-9,14-16H,1-4H3/t5-,6-,7+,8+,9-/m1/s1
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US Patent
 3.10 -48.6n/an/an/an/an/a7.025



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...

US Patent US8901087 (2014)


BindingDB Entry DOI: 10.7270/Q24B301W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))		BDBM139960
PNG
(US8901087, 203)
Show SMILES CN(C)C1=N[C@H]2[C@H](O[C@@H]([C@@H](O)[C@@H]2O)[C@](C)(O)C(F)(F)F)S1 |t:3|
Show InChI InChI=1S/C11H17F3N2O4S/c1-10(19,11(12,13)14)7-6(18)5(17)4-8(20-7)21-9(15-4)16(2)3/h4-8,17-19H,1-3H3/t4-,5-,6+,7+,8-,10+/m1/s1
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 3.16 -48.5n/an/an/an/an/a7.025



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...

US Patent US8901087 (2014)


BindingDB Entry DOI: 10.7270/Q24B301W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))		BDBM139955
PNG
(US8901087, 105)
Show SMILES CCNC1=N[C@H]2[C@H](O[C@H]([C@@H](O)CC)[C@@H](O)[C@@H]2O)S1 |t:3|
Show InChI InChI=1S/C11H20N2O4S/c1-3-5(14)9-8(16)7(15)6-10(17-9)18-11(13-6)12-4-2/h5-10,14-16H,3-4H2,1-2H3,(H,12,13)/t5-,6+,7+,8-,9+,10+/m0/s1
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 3.40 -48.3n/an/an/an/an/a7.025



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...

US Patent US8901087 (2014)


BindingDB Entry DOI: 10.7270/Q24B301W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))		BDBM139954
PNG
(US8901087, 104)
Show SMILES C[C@@H](O)[C@H]1O[C@@H]2SC(=N[C@@H]2[C@@H](O)[C@@H]1O)N(C)C |c:7|
Show InChI InChI=1S/C10H18N2O4S/c1-4(13)8-7(15)6(14)5-9(16-8)17-10(11-5)12(2)3/h4-9,13-15H,1-3H3/t4-,5-,6-,7+,8-,9-/m1/s1
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 3.63 -48.2n/an/an/an/an/a7.025



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...

US Patent US8901087 (2014)


BindingDB Entry DOI: 10.7270/Q24B301W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))		BDBM139937
PNG
(US8901087, 51)
Show SMILES CON(C)C1=N[C@H]2[C@H](O[C@H]([C@H](C)O)[C@@H](O)[C@@H]2O)S1 |t:4|
Show InChI InChI=1S/C10H18N2O5S/c1-4(13)8-7(15)6(14)5-9(17-8)18-10(11-5)12(2)16-3/h4-9,13-15H,1-3H3/t4-,5+,6+,7-,8+,9+/m0/s1
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 5.10 -47.3n/an/an/an/an/a7.025



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...

US Patent US8901087 (2014)


BindingDB Entry DOI: 10.7270/Q24B301W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))		BDBM139949
PNG
(US8901087, 82)
Show SMILES O[C@@H](CC=C)[C@H]1O[C@@H]2SC(=N[C@@H]2[C@@H](O)[C@@H]1O)N1CCC1 |c:9|
Show InChI InChI=1S/C13H20N2O4S/c1-2-4-7(16)11-10(18)9(17)8-12(19-11)20-13(14-8)15-5-3-6-15/h2,7-12,16-18H,1,3-6H2/t7-,8+,9+,10-,11+,12+/m0/s1
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 5.84 -47.0n/an/an/an/an/a7.025



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...

US Patent US8901087 (2014)


BindingDB Entry DOI: 10.7270/Q24B301W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))		BDBM139936
PNG
(US8901087, 47)
Show SMILES CCCNC1=N[C@H]2[C@H](O[C@H](C(O)CC)[C@@H](O)[C@@H]2O)S1 |t:4|
Show InChI InChI=1S/C12H22N2O4S/c1-3-5-13-12-14-7-8(16)9(17)10(6(15)4-2)18-11(7)19-12/h6-11,15-17H,3-5H2,1-2H3,(H,13,14)/t6?,7-,8-,9+,10-,11-/m1/s1
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 6.40 -46.8n/an/an/an/an/a7.025



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...

US Patent US8901087 (2014)


BindingDB Entry DOI: 10.7270/Q24B301W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))		BDBM139934
PNG
(US8901087, 40)
Show SMILES CCNC1=N[C@H]2[C@H](O[C@H]([C@@H](O)CC=C)[C@@H](O)[C@@H]2O)S1 |t:3|
Show InChI InChI=1S/C12H20N2O4S/c1-3-5-6(15)10-9(17)8(16)7-11(18-10)19-12(14-7)13-4-2/h3,6-11,15-17H,1,4-5H2,2H3,(H,13,14)/t6-,7+,8+,9-,10+,11+/m0/s1
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 7.95 -46.2n/an/an/an/an/a7.025



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...

US Patent US8901087 (2014)


BindingDB Entry DOI: 10.7270/Q24B301W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))		BDBM139945
PNG
(US8901087, 71)
Show SMILES CCCC[C@H](O)[C@H]1O[C@@H]2SC(=N[C@@H]2[C@@H](O)[C@@H]1O)N(C)C |c:10|
Show InChI InChI=1S/C13H24N2O4S/c1-4-5-6-7(16)11-10(18)9(17)8-12(19-11)20-13(14-8)15(2)3/h7-12,16-18H,4-6H2,1-3H3/t7-,8+,9+,10-,11+,12+/m0/s1
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 9.12 -45.9n/an/an/an/an/a7.025



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...

US Patent US8901087 (2014)


BindingDB Entry DOI: 10.7270/Q24B301W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))		BDBM139944
PNG
(US8901087, 69)
Show SMILES CCC[C@H](O)[C@H]1O[C@@H]2SC(=N[C@@H]2[C@@H](O)[C@@H]1O)N(C)C |c:9|
Show InChI InChI=1S/C12H22N2O4S/c1-4-5-6(15)10-9(17)8(16)7-11(18-10)19-12(13-7)14(2)3/h6-11,15-17H,4-5H2,1-3H3/t6-,7+,8+,9-,10+,11+/m0/s1
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 9.36 -45.8n/an/an/an/an/a7.025



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...

US Patent US8901087 (2014)


BindingDB Entry DOI: 10.7270/Q24B301W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))		BDBM139947
PNG
(US8901087, 77)
Show SMILES CC(C)(O)[C@H]1O[C@@H]2SC(=N[C@@H]2[C@@H](O)[C@@H]1O)N1CCC1 |c:8|
Show InChI InChI=1S/C12H20N2O4S/c1-12(2,17)9-8(16)7(15)6-10(18-9)19-11(13-6)14-4-3-5-14/h6-10,15-17H,3-5H2,1-2H3/t6-,7-,8+,9+,10-/m1/s1
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 16.3 -44.5n/an/an/an/an/a7.025



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...

US Patent US8901087 (2014)


BindingDB Entry DOI: 10.7270/Q24B301W
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%