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Patent code US10150787

Compile Data Set for Download or QSAR
Found 10 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
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM310926
PNG
(((5-Bromo-2-(Carboxy)Benzo[b]Thiophen-6-yl)Difluor...)
Show SMILES OC(=O)c1cc2cc(Br)c(cc2s1)C(F)(F)P(O)(O)=O
Show InChI InChI=1S/C10H6BrF2O5PS/c11-6-1-4-2-8(9(14)15)20-7(4)3-5(6)10(12,13)19(16,17)18/h1-3H,(H,14,15)(H2,16,17,18)
PDB
MMDB

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UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 170n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The assay was carried out at room temperature in 96 well plates. The reaction mixture in 170 μl contained 50 mM Bis-Tris (pH=6.3), 2 mM EDTA, 5 ...


US Patent US10150787 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM310919
PNG
(6-Bromo-5-(Difluoro(Phosphonato)Methyl)Benzo[b]Thi...)
Show SMILES OC(=O)c1cc2cc(c(Br)cc2s1)C(F)(F)P(O)(O)=O
Show InChI InChI=1S/C10H6BrF2O5PS/c11-6-3-7-4(2-8(20-7)9(14)15)1-5(6)10(12,13)19(16,17)18/h1-3H,(H,14,15)(H2,16,17,18)
PDB
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UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 260n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The assay was carried out at room temperature in 96 well plates. The reaction mixture in 170 μl contained 50 mM Bis-Tris (pH=6.3), 2 mM EDTA, 5 ...


US Patent US10150787 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM310920
PNG
(((6-Bromo-2-Carbamoylbenzo[b]Thiophen-5-yl)Difluor...)
Show SMILES NC(=O)c1cc2cc(c(Br)cc2s1)C(F)(F)P(O)(O)=O
Show InChI InChI=1S/C10H7BrF2NO4PS/c11-6-3-7-4(2-8(20-7)9(14)15)1-5(6)10(12,13)19(16,17)18/h1-3H,(H2,14,15)(H2,16,17,18)
PDB
MMDB

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UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a 280n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The assay was carried out at room temperature in 96 well plates. The reaction mixture in 170 μl contained 50 mM Bis-Tris (pH=6.3), 2 mM EDTA, 5 ...


US Patent US10150787 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM310923
PNG
(((6-Bromo-2-(Cyanomethyl)Benzo[b]Thiophen-5-yl)Dif...)
Show SMILES OP(O)(=O)C(F)(F)c1cc2cc(CC#N)sc2cc1Br
Show InChI InChI=1S/C11H7BrF2NO3PS/c12-9-5-10-6(3-7(20-10)1-2-15)4-8(9)11(13,14)19(16,17)18/h3-5H,1H2,(H2,16,17,18)
PDB
MMDB

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UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a 370n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The assay was carried out at room temperature in 96 well plates. The reaction mixture in 170 μl contained 50 mM Bis-Tris (pH=6.3), 2 mM EDTA, 5 ...


US Patent US10150787 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM310918
PNG
(((6-Bromo-2-(Ethoxycarbonyl)Benzo[b]Thiophen-5-yl)...)
Show SMILES CCOC(=O)c1cc2cc(c(Br)cc2s1)C(F)(F)P(O)(O)=O
Show InChI InChI=1S/C12H10BrF2O5PS/c1-2-20-11(16)10-4-6-3-7(8(13)5-9(6)22-10)12(14,15)21(17,18)19/h3-5H,2H2,1H3,(H2,17,18,19)
PDB
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UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a 450n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The assay was carried out at room temperature in 96 well plates. The reaction mixture in 170 μl contained 50 mM Bis-Tris (pH=6.3), 2 mM EDTA, 5 ...


US Patent US10150787 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50239833
PNG
((3-bromo-7-cyanonaphthalen-2-yl)difluoromethylphos...)
Show SMILES OP(O)(=O)C(F)(F)c1cc2cc(ccc2cc1Br)C#N
Show InChI InChI=1S/C12H7BrF2NO3P/c13-11-5-8-2-1-7(6-16)3-9(8)4-10(11)12(14,15)20(17,18)19/h1-5H,(H2,17,18,19)
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Similars

US Patent
n/an/a 490n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The assay was carried out at room temperature in 96 well plates. The reaction mixture in 170 μl contained 50 mM Bis-Tris (pH=6.3), 2 mM EDTA, 5 ...


US Patent US10150787 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM310924
PNG
(((5-Bromo-2-(Ethoxycarbonyl)Benzo[b]Thiophen-6-yl)...)
Show SMILES CCOC(=O)c1cc2cc(Br)c(cc2s1)C(F)(F)P(O)(O)=O
Show InChI InChI=1S/C12H10BrF2O5PS/c1-2-20-11(16)10-4-6-3-8(13)7(5-9(6)22-10)12(14,15)21(17,18)19/h3-5H,2H2,1H3,(H2,17,18,19)
PDB
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 740n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The assay was carried out at room temperature in 96 well plates. The reaction mixture in 170 μl contained 50 mM Bis-Tris (pH=6.3), 2 mM EDTA, 5 ...


US Patent US10150787 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM310921
PNG
(((6-Bromo-2-Cyanobenzo[b]Thiophen-5-yl)Difluoromet...)
Show SMILES OP(O)(=O)C(F)(F)c1cc2cc(sc2cc1Br)C#N
Show InChI InChI=1S/C10H5BrF2NO3PS/c11-8-3-9-5(1-6(4-14)19-9)2-7(8)10(12,13)18(15,16)17/h1-3H,(H2,15,16,17)
PDB
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UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 1.20E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The assay was carried out at room temperature in 96 well plates. The reaction mixture in 170 μl contained 50 mM Bis-Tris (pH=6.3), 2 mM EDTA, 5 ...


US Patent US10150787 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM310922
PNG
(((6-Bromo-2-(Hydroxymethyl)Benzo[b]Thiophen-5-yl)D...)
Show SMILES OCc1cc2cc(c(Br)cc2s1)C(F)(F)P(O)(O)=O
Show InChI InChI=1S/C10H8BrF2O4PS/c11-8-3-9-5(1-6(4-14)19-9)2-7(8)10(12,13)18(15,16)17/h1-3,14H,4H2,(H2,15,16,17)
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UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 1.50E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The assay was carried out at room temperature in 96 well plates. The reaction mixture in 170 μl contained 50 mM Bis-Tris (pH=6.3), 2 mM EDTA, 5 ...


US Patent US10150787 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM310925
PNG
(((5-Bromo-2-(Methoxycarbonyl)Benzo[b]Thiophen-6-yl...)
Show SMILES COC(=O)c1cc2cc(Br)c(cc2s1)C(F)(F)P(O)(O)=O
Show InChI InChI=1S/C11H8BrF2O5PS/c1-19-10(15)9-3-5-2-7(12)6(4-8(5)21-9)11(13,14)20(16,17)18/h2-4H,1H3,(H2,16,17,18)
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UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 2.90E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The assay was carried out at room temperature in 96 well plates. The reaction mixture in 170 μl contained 50 mM Bis-Tris (pH=6.3), 2 mM EDTA, 5 ...


US Patent US10150787 (2018)

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