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Patent code US9783551

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
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM345128
PNG
(US9783551, Compound 19)
Show SMILES CCCCCOc1ccc(C2COc3c(C2)ccc2OC(C)(C)CCc32)c(O)c1
Show InChI InChI=1S/C25H32O4/c1-4-5-6-13-27-19-8-9-20(22(26)15-19)18-14-17-7-10-23-21(24(17)28-16-18)11-12-25(2,3)29-23/h7-10,15,18,26H,4-6,11-14,16H2,1-3H3
PDB
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US Patent
n/an/a 1.20E+3n/an/an/an/an/an/a



Glaceum Inc.

US Patent


Assay Description
The degree of inhibition activity for PTP1B was investigated by using 2 mM p-nitrophenyl phosphate (p-NPP) as a substrate to measure the dephosphoryl...


US Patent US9783551 (2017)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM345125
PNG
(US9783551, Compound 15 | US9783551, Compound 16)
Show SMILES CCCOc1ccc(C2COc3c(C2)ccc2OC(C)(C)CCc32)c(O)c1
Show InChI InChI=1S/C23H28O4/c1-4-11-25-17-6-7-18(20(24)13-17)16-12-15-5-8-21-19(22(15)26-14-16)9-10-23(2,3)27-21/h5-8,13,16,24H,4,9-12,14H2,1-3H3
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US Patent
n/an/a 1.90E+3n/an/an/an/an/an/a



Glaceum Inc.

US Patent


Assay Description
The degree of inhibition activity for PTP1B was investigated by using 2 mM p-nitrophenyl phosphate (p-NPP) as a substrate to measure the dephosphoryl...


US Patent US9783551 (2017)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM345129
PNG
(US9783551, Compound 21)
Show SMILES COCOc1ccc(C2COc3c(C2)ccc2OC(C)(C)CCc32)c(O)c1
Show InChI InChI=1S/C22H26O5/c1-22(2)9-8-18-20(27-22)7-4-14-10-15(12-25-21(14)18)17-6-5-16(11-19(17)23)26-13-24-3/h4-7,11,15,23H,8-10,12-13H2,1-3H3
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US Patent
n/an/a 2.30E+3n/an/an/an/an/an/a



Glaceum Inc.

US Patent


Assay Description
The degree of inhibition activity for PTP1B was investigated by using 2 mM p-nitrophenyl phosphate (p-NPP) as a substrate to measure the dephosphoryl...


US Patent US9783551 (2017)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM345123
PNG
(US9783551, Compound 5)
Show SMILES CC(=O)Oc1ccc(C)c(C)c1OCc1ccccc1
Show InChI InChI=1S/C17H18O3/c1-12-9-10-16(20-14(3)18)17(13(12)2)19-11-15-7-5-4-6-8-15/h4-10H,11H2,1-3H3
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US Patent
n/an/a 2.80E+3n/an/an/an/an/an/a



Glaceum Inc.

US Patent


Assay Description
The degree of inhibition activity for PTP1B was investigated by using 2 mM p-nitrophenyl phosphate (p-NPP) as a substrate to measure the dephosphoryl...


US Patent US9783551 (2017)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM345122
PNG
(US9783551, Compound 4)
Show SMILES COCOc1c(C)cccc1OC(C)=O
Show InChI InChI=1S/C11H14O4/c1-8-5-4-6-10(15-9(2)12)11(8)14-7-13-3/h4-6H,7H2,1-3H3
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US Patent
n/an/a 2.90E+3n/an/an/an/an/an/a



Glaceum Inc.

US Patent


Assay Description
The degree of inhibition activity for PTP1B was investigated by using 2 mM p-nitrophenyl phosphate (p-NPP) as a substrate to measure the dephosphoryl...


US Patent US9783551 (2017)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM345127
PNG
(US9783551, Compound 18)
Show SMILES CCCCOc1ccc(C2COc3c(C2)ccc2OC(C)(C)CCc32)c(O)c1
Show InChI InChI=1S/C24H30O4/c1-4-5-12-26-18-7-8-19(21(25)14-18)17-13-16-6-9-22-20(23(16)27-15-17)10-11-24(2,3)28-22/h6-9,14,17,25H,4-5,10-13,15H2,1-3H3
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US Patent
n/an/a 3.40E+3n/an/an/an/an/an/a



Glaceum Inc.

US Patent


Assay Description
The degree of inhibition activity for PTP1B was investigated by using 2 mM p-nitrophenyl phosphate (p-NPP) as a substrate to measure the dephosphoryl...


US Patent US9783551 (2017)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM345124
PNG
(US9783551, Compound 14)
Show SMILES CCC1(CC)Oc2ccc(C=O)c(OC(=O)c3ccccc3)c2C=C1
Show InChI InChI=1S/C21H20O4/c1-3-21(4-2)13-12-17-18(25-21)11-10-16(14-22)19(17)24-20(23)15-8-6-5-7-9-15/h5-14H,3-4H2,1-2H3
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US Patent
n/an/a 6.50E+3n/an/an/an/an/an/a



Glaceum Inc.

US Patent


Assay Description
The degree of inhibition activity for PTP1B was investigated by using 2 mM p-nitrophenyl phosphate (p-NPP) as a substrate to measure the dephosphoryl...


US Patent US9783551 (2017)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM345121
PNG
(US9783551, Compound 3)
Show SMILES CC1(C)Oc2ccc(C=O)c(OC(=O)c3ccccc3)c2C=C1
Show InChI InChI=1S/C19H16O4/c1-19(2)11-10-15-16(23-19)9-8-14(12-20)17(15)22-18(21)13-6-4-3-5-7-13/h3-12H,1-2H3
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US Patent
n/an/a 7.00E+3n/an/an/an/an/an/a



Glaceum Inc.

US Patent


Assay Description
The degree of inhibition activity for PTP1B was investigated by using 2 mM p-nitrophenyl phosphate (p-NPP) as a substrate to measure the dephosphoryl...


US Patent US9783551 (2017)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM345125
PNG
(US9783551, Compound 15 | US9783551, Compound 16)
Show SMILES CCCOc1ccc(C2COc3c(C2)ccc2OC(C)(C)CCc32)c(O)c1
Show InChI InChI=1S/C23H28O4/c1-4-11-25-17-6-7-18(20(24)13-17)16-12-15-5-8-21-19(22(15)26-14-16)9-10-23(2,3)27-21/h5-8,13,16,24H,4,9-12,14H2,1-3H3
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US Patent
n/an/a 8.60E+3n/an/an/an/an/an/a



Glaceum Inc.

US Patent


Assay Description
The degree of inhibition activity for PTP1B was investigated by using 2 mM p-nitrophenyl phosphate (p-NPP) as a substrate to measure the dephosphoryl...


US Patent US9783551 (2017)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50441626
PNG
(GLABRIDIN | US9783551, Compound 1)
Show SMILES CC1(C)Oc2ccc3C[C@@H](COc3c2C=C1)c1ccc(O)cc1O
Show InChI InChI=1S/C20H20O4/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1
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US Patent
n/an/a 4.60E+4n/an/an/an/an/an/a



Glaceum Inc.

US Patent


Assay Description
The degree of inhibition activity for PTP1B was investigated by using 2 mM p-nitrophenyl phosphate (p-NPP) as a substrate to measure the dephosphoryl...


US Patent US9783551 (2017)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50441626
PNG
(GLABRIDIN | US9783551, Compound 1)
Show SMILES CC1(C)Oc2ccc3C[C@@H](COc3c2C=C1)c1ccc(O)cc1O
Show InChI InChI=1S/C20H20O4/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1
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US Patent
n/an/a 4.80E+4n/an/an/an/an/an/a



Glaceum Inc.

US Patent


Assay Description
The degree of inhibition activity for PTP1B was investigated by using 2 mM p-nitrophenyl phosphate (p-NPP) as a substrate to measure the dephosphoryl...


US Patent US9783551 (2017)

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