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Patent code US8933040

Compile Data Set for Download or QSAR
Found 7 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))		BDBM142087
PNG
(US8933040, 1)
Show SMILES CC(=O)O[C@H]1OC(OC(C)=O)[C@H](N=C=S)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C14H17NO9S/c1-6(16)20-11-10(15-5-25)13(22-8(3)18)24-14(23-9(4)19)12(11)21-7(2)17/h10-14H,1-4H3/t10-,11-,12+,13?,14+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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US Patent
 3.30 -48.4n/an/an/an/an/a7.025



TBA

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...

US Patent US8933040 (2015)


BindingDB Entry DOI: 10.7270/Q2XG9PVQ
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))		BDBM142083
PNG
(US8933040, 7)
Show SMILES OC[C@H]1O[C@@H]2SC(=N[C@@H]2[C@@H](O)[C@@H]1O)N1CCCC1 |r,c:6|
Show InChI InChI=1S/C11H18N2O4S/c14-5-6-8(15)9(16)7-10(17-6)18-11(12-7)13-3-1-2-4-13/h6-10,14-16H,1-5H2/t6-,7-,8-,9-,10-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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Similars
US Patent
 13 -45.0n/an/an/an/an/a7.025



TBA

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...

US Patent US8933040 (2015)


BindingDB Entry DOI: 10.7270/Q2XG9PVQ
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))		BDBM142081
PNG
(US8933040, 3)
Show SMILES OC[C@H]1O[C@@H]2SC(=N[C@@H]2[C@@H](O)[C@@H]1O)N1CC(F)C1 |r,c:6|
Show InChI InChI=1S/C10H15FN2O4S/c11-4-1-13(2-4)10-12-6-8(16)7(15)5(3-14)17-9(6)18-10/h4-9,14-16H,1-3H2/t5-,6-,7-,8-,9-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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UniChem

Similars
US Patent
 30 -42.9n/an/an/an/an/a7.025



TBA

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...

US Patent US8933040 (2015)


BindingDB Entry DOI: 10.7270/Q2XG9PVQ
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))		BDBM142085
PNG
(US8933040, 16)
Show SMILES O[C@@H]1[C@H]2N=C(S[C@H]2O[C@H](CNC2CC2)[C@H]1O)N1CCC1 |r,c:3|
Show InChI InChI=1S/C13H21N3O3S/c17-10-8(6-14-7-2-3-7)19-12-9(11(10)18)15-13(20-12)16-4-1-5-16/h7-12,14,17-18H,1-6H2/t8-,9-,10-,11-,12-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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UniChem

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US Patent
 101 -39.9n/an/an/an/an/a7.025



TBA

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...

US Patent US8933040 (2015)


BindingDB Entry DOI: 10.7270/Q2XG9PVQ
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))		BDBM142082
PNG
(US8933040, 5)
Show SMILES COC1CN(C1)C1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2O)S1 |r,t:7|
Show InChI InChI=1S/C11H18N2O5S/c1-17-5-2-13(3-5)11-12-7-9(16)8(15)6(4-14)18-10(7)19-11/h5-10,14-16H,2-4H2,1H3/t6-,7-,8-,9-,10-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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Similars
US Patent
 142 -39.1n/an/an/an/an/a7.025



TBA

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...

US Patent US8933040 (2015)


BindingDB Entry DOI: 10.7270/Q2XG9PVQ
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))		BDBM142084
PNG
(US8933040, 14)
Show SMILES OC[C@H]1O[C@@H]2SC(=N[C@@H]2[C@@H](O)[C@@H]1O)N1CCOCC1 |r,c:6|
Show InChI InChI=1S/C11H18N2O5S/c14-5-6-8(15)9(16)7-10(18-6)19-11(12-7)13-1-3-17-4-2-13/h6-10,14-16H,1-5H2/t6-,7-,8-,9-,10-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars
US Patent
 289 -37.3n/an/an/an/an/a7.025



TBA

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...

US Patent US8933040 (2015)


BindingDB Entry DOI: 10.7270/Q2XG9PVQ
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))		BDBM142086
PNG
(US8933040, 18)
Show SMILES CN(C)C(=O)OC[C@H]1O[C@@H]2SC(=N[C@@H]2[C@@H](O)[C@@H]1O)N1CCCC1 |r,c:11|
Show InChI InChI=1S/C14H23N3O5S/c1-16(2)14(20)21-7-8-10(18)11(19)9-12(22-8)23-13(15-9)17-5-3-4-6-17/h8-12,18-19H,3-7H2,1-2H3/t8-,9-,10-,11-,12-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
 350 -36.8n/an/an/an/an/a7.025



TBA

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...

US Patent US8933040 (2015)


BindingDB Entry DOI: 10.7270/Q2XG9PVQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%