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Patent code US9273021

Compile Data Set for Download or QSAR
Found 6 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
Fructose-1,6-bisphosphatase 1


(Sus scrofa (Pig))
BDBM50316378
PNG
(1,1'-(1,3,7,9-Tetrahydroxydibenzofuran-2,6-diyl)bi...)
Show SMILES CC(C)CC(=O)c1c(O)cc2oc3c(C(=O)CC(C)C)c(O)cc(O)c3c2c1O
Show InChI InChI=1S/C22H24O7/c1-9(2)5-11(23)17-15(27)8-16-20(21(17)28)19-14(26)7-13(25)18(22(19)29-16)12(24)6-10(3)4/h7-10,25-28H,5-6H2,1-4H3
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US Patent
n/an/a 1.50E+3n/an/an/an/a7.5n/a



TRUSTEES OF BOSTON COLLEGE

US Patent


Assay Description
FBPase activity was measured spectrophotometrically by employing the coupling enzymes phosphoglucose isomerase and glucose-6-phosphate dehydrogenase....


US Patent US9273021 (2016)


BindingDB Entry DOI: 10.7270/Q2G44P4X
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Sus scrofa (Pig))
BDBM50316379
PNG
(1,1'-(1,3,7,9-Tetrahydroxydibenzofuran-2,6-diyl)bi...)
Show SMILES CCC(C)C(=O)c1c(O)cc2oc3c(C(=O)C(C)CC)c(O)cc(O)c3c2c1O
Show InChI InChI=1S/C22H24O7/c1-5-9(3)19(26)16-13(25)8-14-18(21(16)28)15-11(23)7-12(24)17(22(15)29-14)20(27)10(4)6-2/h7-10,23-25,28H,5-6H2,1-4H3
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US Patent
n/an/a 5.00E+3n/an/an/an/a7.5n/a



TRUSTEES OF BOSTON COLLEGE

US Patent


Assay Description
FBPase activity was measured spectrophotometrically by employing the coupling enzymes phosphoglucose isomerase and glucose-6-phosphate dehydrogenase....


US Patent US9273021 (2016)


BindingDB Entry DOI: 10.7270/Q2G44P4X
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50316379
PNG
(1,1'-(1,3,7,9-Tetrahydroxydibenzofuran-2,6-diyl)bi...)
Show SMILES CCC(C)C(=O)c1c(O)cc2oc3c(C(=O)C(C)CC)c(O)cc(O)c3c2c1O
Show InChI InChI=1S/C22H24O7/c1-5-9(3)19(26)16-13(25)8-14-18(21(16)28)15-11(23)7-12(24)17(22(15)29-14)20(27)10(4)6-2/h7-10,23-25,28H,5-6H2,1-4H3
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US Patent
n/an/a 6.00E+3n/an/an/an/a7.5n/a



TRUSTEES OF BOSTON COLLEGE

US Patent


Assay Description
FBPase activity was measured spectrophotometrically by employing the coupling enzymes phosphoglucose isomerase and glucose-6-phosphate dehydrogenase....


US Patent US9273021 (2016)


BindingDB Entry DOI: 10.7270/Q2G44P4X
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50316378
PNG
(1,1'-(1,3,7,9-Tetrahydroxydibenzofuran-2,6-diyl)bi...)
Show SMILES CC(C)CC(=O)c1c(O)cc2oc3c(C(=O)CC(C)C)c(O)cc(O)c3c2c1O
Show InChI InChI=1S/C22H24O7/c1-9(2)5-11(23)17-15(27)8-16-20(21(17)28)19-14(26)7-13(25)18(22(19)29-16)12(24)6-10(3)4/h7-10,25-28H,5-6H2,1-4H3
PDB

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US Patent
n/an/a 8.10E+3n/an/an/an/a7.5n/a



TRUSTEES OF BOSTON COLLEGE

US Patent


Assay Description
FBPase activity was measured spectrophotometrically by employing the coupling enzymes phosphoglucose isomerase and glucose-6-phosphate dehydrogenase....


US Patent US9273021 (2016)


BindingDB Entry DOI: 10.7270/Q2G44P4X
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM209638
PNG
(US9273021, Usnic Acid)
Show SMILES CC(=O)C1=C(O)C=C2Oc3c(c(O)c(C)c(O)c3C(C)=O)C2(C)C1=O |c:3,t:6|
Show InChI InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,21-23H,1-4H3
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PC cid
PC sid
PDB
UniChem
US Patent
n/an/a 3.71E+5n/an/an/an/a7.5n/a



TRUSTEES OF BOSTON COLLEGE

US Patent


Assay Description
FBPase activity was measured spectrophotometrically by employing the coupling enzymes phosphoglucose isomerase and glucose-6-phosphate dehydrogenase....


US Patent US9273021 (2016)


BindingDB Entry DOI: 10.7270/Q2G44P4X
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Sus scrofa (Pig))
BDBM209638
PNG
(US9273021, Usnic Acid)
Show SMILES CC(=O)C1=C(O)C=C2Oc3c(c(O)c(C)c(O)c3C(C)=O)C2(C)C1=O |c:3,t:6|
Show InChI InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,21-23H,1-4H3
PDB

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PC cid
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PDB
UniChem
US Patent
n/an/a 9.30E+5n/an/an/an/a7.5n/a



TRUSTEES OF BOSTON COLLEGE

US Patent


Assay Description
FBPase activity was measured spectrophotometrically by employing the coupling enzymes phosphoglucose isomerase and glucose-6-phosphate dehydrogenase....


US Patent US9273021 (2016)


BindingDB Entry DOI: 10.7270/Q2G44P4X
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%