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Patent code US9290501

Compile Data Set for Download or QSAR
Found 16 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
S-methyl-5'-thioinosine phosphorylase (MTIP)


(Pseudomonas aeruginosa)
BDBM50247150
PNG
(5'-phenylthio-ImmH | CHEMBL474328 | US9290501, (B))
Show SMILES O[C@@H]1[C@@H](CSc2ccccc2)N[C@H]([C@@H]1O)c1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C17H18N4O3S/c22-15-11(7-25-9-4-2-1-3-5-9)21-13(16(15)23)10-6-18-14-12(10)19-8-20-17(14)24/h1-6,8,11,13,15-16,18,21-23H,7H2,(H,19,20,24)/t11-,13+,15-,16+/m1/s1
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US Patent
0.0350n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine, Inc.; Victoria Link Limited

US Patent


Assay Description
Assays for slow-onset inhibitors were carried out by adding 1 nM PaMTIP into reaction mixtures at 25 °C. containing 100 mM Hepes, pH 7.4, 100 mM ...


Citation and Details
More data for this
Ligand-Target Pair
S-methyl-5'-thioinosine phosphorylase (MTIP)


(Pseudomonas aeruginosa)
BDBM218675
PNG
(US9290501, PT-ImmH)
Show SMILES OC1[C@@H](CSc2ccccc2)NC(Cc2c[nH]c3c2nc[nH]c3=O)C1O
Show InChI InChI=1S/C18H18N4O3S/c23-16-12(6-10-7-19-15-14(10)20-9-21-18(15)25)22-13(17(16)24)8-26-11-4-2-1-3-5-11/h1-5,7,9,12-13,16-17,22-24H,6,8H2/t12?,13-,16?,17?/m1/s1
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0.0350n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine, Inc.; Victoria Link Limited

US Patent


Assay Description
Assays for slow-onset inhibitors were carried out by adding 1 nM PaMTIP into reaction mixtures at 25 °C. containing 100 mM Hepes, pH 7.4, 100 mM ...


Citation and Details
More data for this
Ligand-Target Pair
S-methyl-5'-thioinosine phosphorylase (MTIP)


(Pseudomonas aeruginosa)
BDBM218673
PNG
(US9290501, PrT-DADMe-ImmH)
Show SMILES CCCSC[C@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)CC1O
Show InChI InChI=1S/C15H20N4O2S/c1-2-3-22-8-11-6-19(7-12(11)20)5-10-4-16-14-13(10)17-9-18-15(14)21/h4,9,11-12,20H,2-3,5-8H2,1H3/t11-,12?/m1/s1
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0.0720n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine, Inc.; Victoria Link Limited

US Patent


Assay Description
Assays for slow-onset inhibitors were carried out by adding 1 nM PaMTIP into reaction mixtures at 25 °C. containing 100 mM Hepes, pH 7.4, 100 mM ...


Citation and Details
More data for this
Ligand-Target Pair
S-methyl-5'-thioinosine phosphorylase (MTIP)


(Pseudomonas aeruginosa)
BDBM50247149
PNG
(5'-Methylthio-ImmH | CHEMBL473929 | US9290501, (A))
Show SMILES CSC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C12H16N4O3S/c1-20-3-6-10(17)11(18)8(16-6)5-2-13-9-7(5)14-4-15-12(9)19/h2,4,6,8,10-11,13,16-18H,3H2,1H3,(H,14,15,19)/t6-,8+,10-,11+/m1/s1
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0.0760n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine, Inc.; Victoria Link Limited

US Patent


Assay Description
Assays for slow-onset inhibitors were carried out by adding 1 nM PaMTIP into reaction mixtures at 25 °C. containing 100 mM Hepes, pH 7.4, 100 mM ...


Citation and Details
More data for this
Ligand-Target Pair
S-methyl-5'-thioinosine phosphorylase (MTIP)


(Pseudomonas aeruginosa)
BDBM218674
PNG
(US9290501, MT-ImmH)
Show SMILES CSC[C@H]1NC(Cc2c[nH]c3c2nc[nH]c3=O)C(O)C1O
Show InChI InChI=1S/C13H16N4O3S/c1-21-4-8-12(19)11(18)7(17-8)2-6-3-14-10-9(6)15-5-16-13(10)20/h3,5,7-8,11-12,17-19H,2,4H2,1H3/t7?,8-,11?,12?/m1/s1
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US Patent
0.0760n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine, Inc.; Victoria Link Limited

US Patent


Assay Description
Assays for slow-onset inhibitors were carried out by adding 1 nM PaMTIP into reaction mixtures at 25 °C. containing 100 mM Hepes, pH 7.4, 100 mM ...


Citation and Details
More data for this
Ligand-Target Pair
S-methyl-5'-thioinosine phosphorylase (MTIP)


(Pseudomonas aeruginosa)
BDBM50246594
PNG
((+/-)-7-((1-hydroxy-3-(methylthio)propan-2-ylamino...)
Show SMILES CSCC(CO)NCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C11H16N4O2S/c1-18-5-8(4-16)12-2-7-3-13-10-9(7)14-6-15-11(10)17/h3,6,8,12-13,16H,2,4-5H2,1H3,(H,14,15,17)
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0.0960n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine, Inc.; Victoria Link Limited

US Patent


Assay Description
Assays for slow-onset inhibitors were carried out by adding 1 nM PaMTIP into reaction mixtures at 25 °C. containing 100 mM Hepes, pH 7.4, 100 mM ...


Citation and Details
More data for this
Ligand-Target Pair
S-methyl-5'-thioinosine phosphorylase (MTIP)


(Pseudomonas aeruginosa)
BDBM50246594
PNG
((+/-)-7-((1-hydroxy-3-(methylthio)propan-2-ylamino...)
Show SMILES CSCC(CO)NCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C11H16N4O2S/c1-18-5-8(4-16)12-2-7-3-13-10-9(7)14-6-15-11(10)17/h3,6,8,12-13,16H,2,4-5H2,1H3,(H,14,15,17)
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US Patent
0.0960n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine, Inc.; Victoria Link Limited

US Patent


Assay Description
Assays for slow-onset inhibitors were carried out by adding 1 nM PaMTIP into reaction mixtures at 25 °C. containing 100 mM Hepes, pH 7.4, 100 mM ...


Citation and Details
More data for this
Ligand-Target Pair
S-methyl-5'-thioinosine phosphorylase (MTIP)


(Pseudomonas aeruginosa)
BDBM50247151
PNG
(7-(((3R,4S)-3-hydroxy-4-(methylthiomethyl)pyrrolid...)
Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O
Show InChI InChI=1S/C13H18N4O2S/c1-20-6-9-4-17(5-10(9)18)3-8-2-14-12-11(8)15-7-16-13(12)19/h2,7,9-10,14,18H,3-6H2,1H3,(H,15,16,19)/t9-,10+/m1/s1
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US Patent
0.340n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine, Inc.; Victoria Link Limited

US Patent


Assay Description
Assays for slow-onset inhibitors were carried out by adding 1 nM PaMTIP into reaction mixtures at 25 °C. containing 100 mM Hepes, pH 7.4, 100 mM ...


Citation and Details
More data for this
Ligand-Target Pair
S-methyl-5'-thioinosine phosphorylase (MTIP)


(Pseudomonas aeruginosa)
BDBM218676
PNG
(US9290501, MT-DADMe-ImmH)
Show SMILES CSCC1CN(Cc2c[nH]c3c2nc[nH]c3=O)CC1O
Show InChI InChI=1S/C13H16N4O2S/c1-20-6-9-4-17(5-10(9)18)3-8-2-14-12-11(8)15-7-16-13(12)19/h2,7,9-10,18H,3-6H2,1H3
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0.340n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine, Inc.; Victoria Link Limited

US Patent


Assay Description
Assays for slow-onset inhibitors were carried out by adding 1 nM PaMTIP into reaction mixtures at 25 °C. containing 100 mM Hepes, pH 7.4, 100 mM ...


Citation and Details
More data for this
Ligand-Target Pair
S-methyl-5'-thioinosine phosphorylase (MTIP)


(Pseudomonas aeruginosa)
BDBM218673
PNG
(US9290501, PrT-DADMe-ImmH)
Show SMILES CCCSC[C@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)CC1O
Show InChI InChI=1S/C15H20N4O2S/c1-2-3-22-8-11-6-19(7-12(11)20)5-10-4-16-14-13(10)17-9-18-15(14)21/h4,9,11-12,20H,2-3,5-8H2,1H3/t11-,12?/m1/s1
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US Patent
0.380n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine, Inc.; Victoria Link Limited

US Patent


Assay Description
Assays for slow-onset inhibitors were carried out by adding 1 nM PaMTIP into reaction mixtures at 25 °C. containing 100 mM Hepes, pH 7.4, 100 mM ...


Citation and Details
More data for this
Ligand-Target Pair
S-methyl-5'-thioinosine phosphorylase (MTIP)


(Pseudomonas aeruginosa)
BDBM218675
PNG
(US9290501, PT-ImmH)
Show SMILES OC1[C@@H](CSc2ccccc2)NC(Cc2c[nH]c3c2nc[nH]c3=O)C1O
Show InChI InChI=1S/C18H18N4O3S/c23-16-12(6-10-7-19-15-14(10)20-9-21-18(15)25)22-13(17(16)24)8-26-11-4-2-1-3-5-11/h1-5,7,9,12-13,16-17,22-24H,6,8H2/t12?,13-,16?,17?/m1/s1
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US Patent
0.660n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine, Inc.; Victoria Link Limited

US Patent


Assay Description
Assays for slow-onset inhibitors were carried out by adding 1 nM PaMTIP into reaction mixtures at 25 °C. containing 100 mM Hepes, pH 7.4, 100 mM ...


Citation and Details
More data for this
Ligand-Target Pair
S-methyl-5'-thioinosine phosphorylase (MTIP)


(Pseudomonas aeruginosa)
BDBM50246594
PNG
((+/-)-7-((1-hydroxy-3-(methylthio)propan-2-ylamino...)
Show SMILES CSCC(CO)NCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C11H16N4O2S/c1-18-5-8(4-16)12-2-7-3-13-10-9(7)14-6-15-11(10)17/h3,6,8,12-13,16H,2,4-5H2,1H3,(H,14,15,17)
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US Patent
0.720n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine, Inc.; Victoria Link Limited

US Patent


Assay Description
Assays for slow-onset inhibitors were carried out by adding 1 nM PaMTIP into reaction mixtures at 25 °C. containing 100 mM Hepes, pH 7.4, 100 mM ...


Citation and Details
More data for this
Ligand-Target Pair
S-methyl-5'-thioinosine phosphorylase (MTIP)


(Pseudomonas aeruginosa)
BDBM218676
PNG
(US9290501, MT-DADMe-ImmH)
Show SMILES CSCC1CN(Cc2c[nH]c3c2nc[nH]c3=O)CC1O
Show InChI InChI=1S/C13H16N4O2S/c1-20-6-9-4-17(5-10(9)18)3-8-2-14-12-11(8)15-7-16-13(12)19/h2,7,9-10,18H,3-6H2,1H3
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0.800n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine, Inc.; Victoria Link Limited

US Patent


Assay Description
Assays for slow-onset inhibitors were carried out by adding 1 nM PaMTIP into reaction mixtures at 25 °C. containing 100 mM Hepes, pH 7.4, 100 mM ...


Citation and Details
More data for this
Ligand-Target Pair
S-methyl-5'-thioinosine phosphorylase (MTIP)


(Pseudomonas aeruginosa)
BDBM218674
PNG
(US9290501, MT-ImmH)
Show SMILES CSC[C@H]1NC(Cc2c[nH]c3c2nc[nH]c3=O)C(O)C1O
Show InChI InChI=1S/C13H16N4O3S/c1-21-4-8-12(19)11(18)7(17-8)2-6-3-14-10-9(6)15-5-16-13(10)20/h3,5,7-8,11-12,17-19H,2,4H2,1H3/t7?,8-,11?,12?/m1/s1
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0.840n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine, Inc.; Victoria Link Limited

US Patent


Assay Description
Assays for slow-onset inhibitors were carried out by adding 1 nM PaMTIP into reaction mixtures at 25 °C. containing 100 mM Hepes, pH 7.4, 100 mM ...


Citation and Details
More data for this
Ligand-Target Pair
S-methyl-5'-thioinosine phosphorylase (MTIP)


(Pseudomonas aeruginosa)
BDBM218677
PNG
(US9290501, 4'-HO-MT-DADMe-ImmH)
Show SMILES CSCC1(O)CN(Cc2c[nH]c3c2nc[nH]c3=O)CC1O
Show InChI InChI=1S/C13H16N4O3S/c1-21-6-13(20)5-17(4-9(13)18)3-8-2-14-11-10(8)15-7-16-12(11)19/h2,7,9,18,20H,3-6H2,1H3
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1.21n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine, Inc.; Victoria Link Limited

US Patent


Assay Description
Assays for slow-onset inhibitors were carried out by adding 1 nM PaMTIP into reaction mixtures at 25 °C. containing 100 mM Hepes, pH 7.4, 100 mM ...


Citation and Details
More data for this
Ligand-Target Pair
S-methyl-5'-thioinosine phosphorylase (MTIP)


(Pseudomonas aeruginosa)
BDBM136302
PNG
(US8853224, 12 | US9290501, MT-TrisMe-ImmH)
Show SMILES CSCC(CO)(CO)NCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C12H18N4O3S/c1-20-6-12(4-17,5-18)16-3-8-2-13-10-9(8)14-7-15-11(10)19/h2,7,13,16-18H,3-6H2,1H3,(H,14,15,19)
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19n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine, Inc.; Victoria Link Limited

US Patent


Assay Description
Assays for slow-onset inhibitors were carried out by adding 1 nM PaMTIP into reaction mixtures at 25 °C. containing 100 mM Hepes, pH 7.4, 100 mM ...


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