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Compile Data Set for Download or QSAR

Found 75 hits Enz. Inhib. hit(s) with Target = 'Fructose-1,6-bisphosphatase' AND taxid = 10116   
Target
(Institution)
LigandTarget
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


(Rattus norvegicus)
BDBM50117957
PNG
(CHEMBL123678 | {4-[3-(6,7-Diethoxy-quinazolin-4-yl...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3csc(CO)n3)c2cc1OCC
Show InChI InChI=1S/C22H22N4O3S/c1-3-28-19-9-16-17(10-20(19)29-4-2)23-13-24-22(16)25-15-7-5-6-14(8-15)18-12-30-21(11-27)26-18/h5-10,12-13,27H,3-4,11H2,1-2H3,(H,23,24,25)
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n/an/a 340n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition against (F16BP) Fructose-1,6-bisphosphatase in rat double mutant (Gln50Lys Gln55His) enzyme using malachite...


J Med Chem 45: 3865-77 (2002)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM50303871
PNG
(4-Amino-7-cyclopropyl-5-fluoro-1-isobutyl-2-[5-(2-...)
Show SMILES CC(C)Cn1c(nc2c(N)c(F)cc(C3CC3)c12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C18H21FN3O4P/c1-9(2)8-22-17-11(10-3-4-10)7-12(19)15(20)16(17)21-18(22)13-5-6-14(26-13)27(23,24)25/h5-7,9-10H,3-4,8,20H2,1-2H3,(H2,23,24,25)
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n/an/a 350n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver FBPase 1


Citation and Details
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM50303879
PNG
(4-Amino-5-fluoro-7-[3-(N,N-dimethylamino)propyl]-1...)
Show SMILES CC(C)Cn1c(nc2c(N)c(F)cc(CCCN(C)C)c12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C20H28FN4O4P/c1-12(2)11-25-19-13(6-5-9-24(3)4)10-14(21)17(22)18(19)23-20(25)15-7-8-16(29-15)30(26,27)28/h7-8,10,12H,5-6,9,11,22H2,1-4H3,(H2,26,27,28)
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n/an/a 400n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver FBPase 1


Citation and Details
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM50303878
PNG
(4-Amino-7-(3-hydroxypropyl)-5-fluoro-1-isobutyl-2-...)
Show SMILES CC(C)Cn1c(nc2c(N)c(F)cc(CCCO)c12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C18H23FN3O5P/c1-10(2)9-22-17-11(4-3-7-23)8-12(19)15(20)16(17)21-18(22)13-5-6-14(27-13)28(24,25)26/h5-6,8,10,23H,3-4,7,9,20H2,1-2H3,(H2,24,25,26)
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n/an/a 450n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver FBPase 1


Citation and Details
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM50303880
PNG
(4-Amino-5-fluoro-7-(4-chlorobutyl)-1-isobutyl-2-[5...)
Show SMILES CC(C)Cn1c(nc2c(N)c(F)cc(CCCCCl)c12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C19H24ClFN3O4P/c1-11(2)10-24-18-12(5-3-4-8-20)9-13(21)16(22)17(18)23-19(24)14-6-7-15(28-14)29(25,26)27/h6-7,9,11H,3-5,8,10,22H2,1-2H3,(H2,25,26,27)
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n/an/a 500n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver FBPase 1


Citation and Details
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM50117955
PNG
(4-[3-(6,7-Diethoxy-quinazolin-4-ylamino)-phenyl]-t...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3csc(n3)C(N)=O)c2cc1OCC
Show InChI InChI=1S/C22H21N5O3S/c1-3-29-18-9-15-16(10-19(18)30-4-2)24-12-25-21(15)26-14-7-5-6-13(8-14)17-11-31-22(27-17)20(23)28/h5-12H,3-4H2,1-2H3,(H2,23,28)(H,24,25,26)
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n/an/a 520n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition against (F16BP) Fructose-1,6-bisphosphatase in rat double mutant (Gln50Lys Gln55His) enzyme using malachite...


J Med Chem 45: 3865-77 (2002)

More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM50303854
PNG
(5-(4-amino-7-ethyl-5-fluoro-1-isobutyl-1H-benzo[d]...)
Show SMILES CCc1cc(F)c(N)c2nc(-c3ccc(o3)P(O)(O)=O)n(CC(C)C)c12
Show InChI InChI=1S/C17H21FN3O4P/c1-4-10-7-11(18)14(19)15-16(10)21(8-9(2)3)17(20-15)12-5-6-13(25-12)26(22,23)24/h5-7,9H,4,8,19H2,1-3H3,(H2,22,23,24)
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n/an/a 550n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver FBPase 1


Citation and Details
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM50303875
PNG
(4-Amino-5-fluoro-7-(n-propyl)-1-isobutyl-2-[5-(2-p...)
Show SMILES CCCc1cc(F)c(N)c2nc(-c3ccc(o3)P(O)(O)=O)n(CC(C)C)c12
Show InChI InChI=1S/C18H23FN3O4P/c1-4-5-11-8-12(19)15(20)16-17(11)22(9-10(2)3)18(21-16)13-6-7-14(26-13)27(23,24)25/h6-8,10H,4-5,9,20H2,1-3H3,(H2,23,24,25)
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n/an/a 650n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver FBPase 1


Citation and Details
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM50117947
PNG
((6,7-Diethoxy-quinazolin-4-yl)-[3-(2-methyl-thiazo...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3csc(C)n3)c2cc1OCC
Show InChI InChI=1S/C22H22N4O2S/c1-4-27-20-10-17-18(11-21(20)28-5-2)23-13-24-22(17)26-16-8-6-7-15(9-16)19-12-29-14(3)25-19/h6-13H,4-5H2,1-3H3,(H,23,24,26)
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n/an/a 790n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition against (F16BP) Fructose-1,6-bisphosphatase in rat double mutant (Gln50Lys Gln55His) enzyme using malachite...


J Med Chem 45: 3865-77 (2002)

More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM50303861
PNG
(4-Amino-5-fluoro-1-(2-ethylbutyl)-2-[5-(2-phosphon...)
Show SMILES CCC(CC)Cn1c(nc2c(N)c(F)ccc12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C17H21FN3O4P/c1-3-10(4-2)9-21-12-6-5-11(18)15(19)16(12)20-17(21)13-7-8-14(25-13)26(22,23)24/h5-8,10H,3-4,9,19H2,1-2H3,(H2,22,23,24)
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n/an/a 850n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver FBPase 1


Citation and Details
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM50303872
PNG
(4-Amino-7-phenyl-5-fluoro-1-isobutyl-2-[5-(2-phosp...)
Show SMILES CC(C)Cn1c(nc2c(N)c(F)cc(-c3ccccc3)c12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C21H21FN3O4P/c1-12(2)11-25-20-14(13-6-4-3-5-7-13)10-15(22)18(23)19(20)24-21(25)16-8-9-17(29-16)30(26,27)28/h3-10,12H,11,23H2,1-2H3,(H2,26,27,28)
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n/an/a 900n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver FBPase 1


Citation and Details
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM50303870
PNG
(4-Amino-7-vinyl-5-fluoro-1-isobutyl-2-[5-(2-phosph...)
Show SMILES CC(C)Cn1c(nc2c(N)c(F)cc(C=C)c12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C17H19FN3O4P/c1-4-10-7-11(18)14(19)15-16(10)21(8-9(2)3)17(20-15)12-5-6-13(25-12)26(22,23)24/h4-7,9H,1,8,19H2,2-3H3,(H2,22,23,24)
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n/an/a 900n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver FBPase 1


Citation and Details
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM50277565
PNG
(5-(6-amino-9-neopentyl-9H-purin-8-yl)furan-2-ylpho...)
Show SMILES CC(C)(C)Cn1c(nc2c(N)ncnc12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C14H18N5O4P/c1-14(2,3)6-19-12(8-4-5-9(23-8)24(20,21)22)18-10-11(15)16-7-17-13(10)19/h4-5,7H,6H2,1-3H3,(H2,15,16,17)(H2,20,21,22)
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n/an/a 1.25E+3n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver FBPase


Citation and Details
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM50303873
PNG
(4-Amino-7-(p-fluorophenyl)-5-fluoro-1-isobutyl-2-[...)
Show SMILES CC(C)Cn1c(nc2c(N)c(F)cc(-c3ccc(F)cc3)c12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C21H20F2N3O4P/c1-11(2)10-26-20-14(12-3-5-13(22)6-4-12)9-15(23)18(24)19(20)25-21(26)16-7-8-17(30-16)31(27,28)29/h3-9,11H,10,24H2,1-2H3,(H2,27,28,29)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver FBPase 1


Citation and Details
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM50303876
PNG
(4-Amino-7-(3,3-dimethyl-n-butyl)-5-fluoro-1-isobut...)
Show SMILES CC(C)Cn1c(nc2c(N)c(F)cc(CCC(C)(C)C)c12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C21H29FN3O4P/c1-12(2)11-25-19-13(8-9-21(3,4)5)10-14(22)17(23)18(19)24-20(25)15-6-7-16(29-15)30(26,27)28/h6-7,10,12H,8-9,11,23H2,1-5H3,(H2,26,27,28)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver FBPase 1


Citation and Details
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM50277613
PNG
(CHEMBL484332 | {5-[6-Amino-9-(3-chloro-2,2-dimethy...)
Show SMILES CC(C)(CCl)Cn1c(nc2c(N)ncnc12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C14H17ClN5O4P/c1-14(2,5-15)6-20-12(8-3-4-9(24-8)25(21,22)23)19-10-11(16)17-7-18-13(10)20/h3-4,7H,5-6H2,1-2H3,(H2,16,17,18)(H2,21,22,23)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver FBPase


Citation and Details
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM50303856
PNG
(4-Amino-5-chloro-1-isobutyl-2-[2-(5-phosphono)fura...)
Show SMILES CC(C)Cn1c(nc2c(N)c(Cl)ccc12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C15H17ClN3O4P/c1-8(2)7-19-10-4-3-9(16)13(17)14(10)18-15(19)11-5-6-12(23-11)24(20,21)22/h3-6,8H,7,17H2,1-2H3,(H2,20,21,22)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver FBPase 1


Citation and Details
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM50303868
PNG
(4-Amino-5-fluoro-6-chloro-1-isobutyl-2-[5-(2-phosp...)
Show SMILES CC(C)Cn1c(nc2c(N)c(F)c(Cl)cc12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C15H16ClFN3O4P/c1-7(2)6-20-9-5-8(16)12(17)13(18)14(9)19-15(20)10-3-4-11(24-10)25(21,22)23/h3-5,7H,6,18H2,1-2H3,(H2,21,22,23)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver FBPase 1


Citation and Details
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM50303866
PNG
(4-Amino-5-fluoro-7-chloro-1-isobutyl-2-[5-(2-phosp...)
Show SMILES CC(C)Cn1c(nc2c(N)c(F)cc(Cl)c12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C15H16ClFN3O4P/c1-7(2)6-20-14-8(16)5-9(17)12(18)13(14)19-15(20)10-3-4-11(24-10)25(21,22)23/h3-5,7H,6,18H2,1-2H3,(H2,21,22,23)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver FBPase 1


Citation and Details
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM50303865
PNG
(4-Amino-5,7-dichloro-1-isobutyl-2-[5-(2-phosphono)...)
Show SMILES CC(C)Cn1c(nc2c(N)c(Cl)cc(Cl)c12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C15H16Cl2N3O4P/c1-7(2)6-20-14-9(17)5-8(16)12(18)13(14)19-15(20)10-3-4-11(24-10)25(21,22)23/h3-5,7H,6,18H2,1-2H3,(H2,21,22,23)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver FBPase 1


Citation and Details
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM50303864
PNG
(4-Amino-5,7-dibromo-1-isobutyl-2-[2-(5-phosphono)f...)
Show SMILES CC(C)Cn1c(nc2c(N)c(Br)cc(Br)c12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C15H16Br2N3O4P/c1-7(2)6-20-14-9(17)5-8(16)12(18)13(14)19-15(20)10-3-4-11(24-10)25(21,22)23/h3-5,7H,6,18H2,1-2H3,(H2,21,22,23)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver FBPase 1


Citation and Details
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM50303887
PNG
(4-Amino-1-cyclopentylmethyl-2-[2-(5-phosphono)fura...)
Show SMILES Nc1cccc2n(CC3CCCC3)c(nc12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C17H20N3O4P/c18-12-6-3-7-13-16(12)19-17(20(13)10-11-4-1-2-5-11)14-8-9-15(24-14)25(21,22)23/h3,6-9,11H,1-2,4-5,10,18H2,(H2,21,22,23)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver FBPase 1


Citation and Details
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM50303886
PNG
(4-Amino-1-cyclobutylmethyl-2-[2-(5-phosphono)furan...)
Show SMILES Nc1cccc2n(CC3CCC3)c(nc12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C16H18N3O4P/c17-11-5-2-6-12-15(11)18-16(19(12)9-10-3-1-4-10)13-7-8-14(23-13)24(20,21)22/h2,5-8,10H,1,3-4,9,17H2,(H2,20,21,22)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver FBPase 1


Citation and Details
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM50303883
PNG
(4-Amino-L-propyl-2-[2-(5-phosphono)furanyl]benzimi...)
Show SMILES CCCn1c(nc2c(N)cccc12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C14H16N3O4P/c1-2-8-17-10-5-3-4-9(15)13(10)16-14(17)11-6-7-12(21-11)22(18,19)20/h3-7H,2,8,15H2,1H3,(H2,18,19,20)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver FBPase 1


Citation and Details
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM50303859
PNG
(4-Amino-7-bromo-1-isobutyl-2-[2-(5-phosphono)furan...)
Show SMILES CC(C)Cn1c(nc2c(N)ccc(Br)c12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C15H17BrN3O4P/c1-8(2)7-19-14-9(16)3-4-10(17)13(14)18-15(19)11-5-6-12(23-11)24(20,21)22/h3-6,8H,7,17H2,1-2H3,(H2,20,21,22)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver FBPase 1


Citation and Details
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM50303857
PNG
(4-Amino-7-chloro-1-isobutyl-2-[2-(5-phosphono)fura...)
Show SMILES CC(C)Cn1c(nc2c(N)ccc(Cl)c12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C15H17ClN3O4P/c1-8(2)7-19-14-9(16)3-4-10(17)13(14)18-15(19)11-5-6-12(23-11)24(20,21)22/h3-6,8H,7,17H2,1-2H3,(H2,20,21,22)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver FBPase 1


Citation and Details
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM50303874
PNG
(4-Amino-7-(p-chlorophenyl)-5-fluoro-1-isobutyl-2-[...)
Show SMILES CC(C)Cn1c(nc2c(N)c(F)cc(-c3ccc(Cl)cc3)c12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C21H20ClFN3O4P/c1-11(2)10-26-20-14(12-3-5-13(22)6-4-12)9-15(23)18(24)19(20)25-21(26)16-7-8-17(30-16)31(27,28)29/h3-9,11H,10,24H2,1-2H3,(H2,27,28,29)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver FBPase 1


Citation and Details
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM50303892
PNG
(4-Amino-5-methoxy-1-isobutyl-2-[5-(2-phosphono)fur...)
Show SMILES COc1ccc2n(CC(C)C)c(nc2c1N)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C16H20N3O5P/c1-9(2)8-19-10-4-5-11(23-3)14(17)15(10)18-16(19)12-6-7-13(24-12)25(20,21)22/h4-7,9H,8,17H2,1-3H3,(H2,20,21,22)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver FBPase 1


Citation and Details
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM50303893
PNG
(4-Amino-1-norbornylmethyl-2-[2-(5-phosphono)furany...)
Show SMILES Nc1cccc2n(CC34CCC(CC3)C4)c(nc12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C19H22N3O4P/c20-13-2-1-3-14-17(13)21-18(15-4-5-16(26-15)27(23,24)25)22(14)11-19-8-6-12(10-19)7-9-19/h1-5,12H,6-11,20H2,(H2,23,24,25)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver FBPase 1


Citation and Details
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM50303867
PNG
(4-Amino-5-fluoro-7-bromo-1-isobutyl-2-[5-(2-phosph...)
Show SMILES CC(C)Cn1c(nc2c(N)c(F)cc(Br)c12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C15H16BrFN3O4P/c1-7(2)6-20-14-8(16)5-9(17)12(18)13(14)19-15(20)10-3-4-11(24-10)25(21,22)23/h3-5,7H,6,18H2,1-2H3,(H2,21,22,23)
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n/an/a 2.09E+3n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver FBPase 1


Citation and Details
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM50303877
PNG
(4-Amino-7-(4-methylpentyl)-5-fluoro-1-isobutyl-2-[...)
Show SMILES CC(C)CCCc1cc(F)c(N)c2nc(-c3ccc(o3)P(O)(O)=O)n(CC(C)C)c12
Show InChI InChI=1S/C21H29FN3O4P/c1-12(2)6-5-7-14-10-15(22)18(23)19-20(14)25(11-13(3)4)21(24-19)16-8-9-17(29-16)30(26,27)28/h8-10,12-13H,5-7,11,23H2,1-4H3,(H2,26,27,28)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver FBPase 1


Citation and Details
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM50303863
PNG
(4-Amino-5-fluoro-1-cyclopropylmethyl-2-[5-(2-phosp...)
Show SMILES Nc1c(F)ccc2n(CC3CC3)c(nc12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C15H15FN3O4P/c16-9-3-4-10-14(13(9)17)18-15(19(10)7-8-1-2-8)11-5-6-12(23-11)24(20,21)22/h3-6,8H,1-2,7,17H2,(H2,20,21,22)
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n/an/a 2.18E+3n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver FBPase 1


Citation and Details
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM50303860
PNG
(4-Amino-5-fluoro-1-isobutyl-2-[5-(2-phosphono)fura...)
Show SMILES CC(C)Cn1c(nc2c(N)c(F)ccc12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C15H17FN3O4P/c1-8(2)7-19-10-4-3-9(16)13(17)14(10)18-15(19)11-5-6-12(23-11)24(20,21)22/h3-6,8H,7,17H2,1-2H3,(H2,20,21,22)
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n/an/a 2.28E+3n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver FBPase 1


Citation and Details
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM50303862
PNG
(4-Amino-5-fluoro-1-(3-pentyl)-2-[5-(2-phosphono)fu...)
Show SMILES CCC(CC)n1c(nc2c(N)c(F)ccc12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C16H19FN3O4P/c1-3-9(4-2)20-11-6-5-10(17)14(18)15(11)19-16(20)12-7-8-13(24-12)25(21,22)23/h5-9H,3-4,18H2,1-2H3,(H2,21,22,23)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver FBPase 1


Citation and Details
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM50117957
PNG
(CHEMBL123678 | {4-[3-(6,7-Diethoxy-quinazolin-4-yl...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3csc(CO)n3)c2cc1OCC
Show InChI InChI=1S/C22H22N4O3S/c1-3-28-19-9-16-17(10-20(19)29-4-2)23-13-24-22(16)25-15-7-5-6-14(8-15)18-12-30-21(11-27)26-18/h5-10,12-13,27H,3-4,11H2,1-2H3,(H,23,24,25)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition against (F16BP) Fructose-1,6-bisphosphatase in rat single mutant (Gln55His) enzyme using malachite green as...


J Med Chem 45: 3865-77 (2002)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM50117955
PNG
(4-[3-(6,7-Diethoxy-quinazolin-4-ylamino)-phenyl]-t...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3csc(n3)C(N)=O)c2cc1OCC
Show InChI InChI=1S/C22H21N5O3S/c1-3-29-18-9-15-16(10-19(18)30-4-2)24-12-25-21(15)26-14-7-5-6-13(8-14)17-11-31-22(27-17)20(23)28/h5-12H,3-4H2,1-2H3,(H2,23,28)(H,24,25,26)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition against (F16BP) Fructose-1,6-bisphosphatase in rat single mutant (Gln55His) enzyme using malachite green as...


J Med Chem 45: 3865-77 (2002)

More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM50117947
PNG
((6,7-Diethoxy-quinazolin-4-yl)-[3-(2-methyl-thiazo...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3csc(C)n3)c2cc1OCC
Show InChI InChI=1S/C22H22N4O2S/c1-4-27-20-10-17-18(11-21(20)28-5-2)23-13-24-22(17)26-16-8-6-7-15(9-16)19-12-29-14(3)25-19/h6-13H,4-5H2,1-3H3,(H,23,24,26)
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n/an/a 3.80E+3n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition against (F16BP) Fructose-1,6-bisphosphatase in rat single mutant(Gln55His) enzyme using malachite green ass...


J Med Chem 45: 3865-77 (2002)

More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM50303884
PNG
(4-Amino-l-isobutyl-2-[2-(5-phosphono)furanyl]benzi...)
Show SMILES CC(C)Cn1c(nc2c(N)cccc12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C15H18N3O4P/c1-9(2)8-18-11-5-3-4-10(16)14(11)17-15(18)12-6-7-13(22-12)23(19,20)21/h3-7,9H,8,16H2,1-2H3,(H2,19,20,21)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver FBPase 1


Citation and Details
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM50277660
PNG
(CHEMBL483354 | {5-[6-Amino-9-(2,2-dimethyl-propyl)...)
Show SMILES CSc1nc(N)c2nc(-c3ccc(o3)P(O)(O)=O)n(CC(C)(C)C)c2n1
Show InChI InChI=1S/C15H20N5O4PS/c1-15(2,3)7-20-12(8-5-6-9(24-8)25(21,22)23)17-10-11(16)18-14(26-4)19-13(10)20/h5-6H,7H2,1-4H3,(H2,16,18,19)(H2,21,22,23)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver FBPase


Citation and Details
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM50277564
PNG
(5-(6-amino-9-isobutyl-9H-purin-8-yl)furan-2-ylphos...)
Show SMILES CC(C)Cn1c(nc2c(N)ncnc12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C13H16N5O4P/c1-7(2)5-18-12(8-3-4-9(22-8)23(19,20)21)17-10-11(14)15-6-16-13(10)18/h3-4,6-7H,5H2,1-2H3,(H2,14,15,16)(H2,19,20,21)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver FBPase


Citation and Details
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM50117989
PNG
(4-[3-(2-Dimethylaminomethyl-6,7-diethoxy-quinazoli...)
Show SMILES CCOc1cc2nc(CN(C)C)nc(Nc3cccc(c3)-c3csc(n3)C(N)=O)c2cc1OCC
Show InChI InChI=1S/C25H28N6O3S/c1-5-33-20-11-17-18(12-21(20)34-6-2)28-22(13-31(3)4)30-24(17)27-16-9-7-8-15(10-16)19-14-35-25(29-19)23(26)32/h7-12,14H,5-6,13H2,1-4H3,(H2,26,32)(H,27,28,30)
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n/an/a 9.50E+3n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition against recombinant wild type pig enzyme (F16BP) Fructose-1,6-bisphosphatase


J Med Chem 45: 3865-77 (2002)

More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM50095259
PNG
((6,7-Dimethoxy-quinazolin-4-yl)-(3-ethynyl-phenyl)...)
Show SMILES COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OC
Show InChI InChI=1S/C18H15N3O2/c1-4-12-6-5-7-13(8-12)21-18-14-9-16(22-2)17(23-3)10-15(14)19-11-20-18/h1,5-11H,2-3H3,(H,19,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Compound was evaluated for its concentration required to inhibit the rat liver F16BPase


Bioorg Med Chem Lett 11: 17-21 (2001)

More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM3532
PNG
(CHEMBL540068 | CHEMBL7917 | N-(3-chlorophenyl)-6,7...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC
Show InChI InChI=1S/C16H14ClN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
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Pfizer Central Research

Curated by ChEMBL


Assay Description
Compound was evaluated for its concentration required to inhibit the rat liver F16BPase


Bioorg Med Chem Lett 11: 17-21 (2001)

More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM3032
PNG
(CHEMBL1204168 | CHEMBL29197 | N-(3-bromophenyl)-6,...)
Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC
Show InChI InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
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Pfizer Central Research

Curated by ChEMBL


Assay Description
Compound was evaluated for its concentration required to inhibit the rat liver F16BPase


Bioorg Med Chem Lett 11: 17-21 (2001)

More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM50095256
PNG
((6,7-Dimethoxy-quinazolin-4-yl)-(3-ethynyl-4-fluor...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(c3)C#C)c2cc1OC
Show InChI InChI=1S/C18H14FN3O2/c1-4-11-7-12(5-6-14(11)19)22-18-13-8-16(23-2)17(24-3)9-15(13)20-10-21-18/h1,5-10H,2-3H3,(H,20,21,22)
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Pfizer Central Research

Curated by ChEMBL


Assay Description
Compound was evaluated for its concentration required to inhibit the rat liver F16BPase


Bioorg Med Chem Lett 11: 17-21 (2001)

More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM50095261
PNG
((3-Chloro-phenyl)-(6,7-diethoxy-quinazolin-4-yl)-a...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCC
Show InChI InChI=1S/C18H18ClN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)
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Pfizer Central Research

Curated by ChEMBL


Assay Description
Compound was evaluated for its concentration required to inhibit the rat liver F16BPase


Bioorg Med Chem Lett 11: 17-21 (2001)

More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM3556
PNG
(4-[(3-Bromophenyl)amino]-6,7-diethoxyquinazoline |...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCC
Show InChI InChI=1S/C18H18BrN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)
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Pfizer Central Research

Curated by ChEMBL


Assay Description
Compound was evaluated for its concentration required to inhibit the rat liver F16BPase


Bioorg Med Chem Lett 11: 17-21 (2001)

More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM50095266
PNG
((3-Chloro-4-fluoro-phenyl)-(6,7-diethoxy-quinazoli...)
Show SMILES CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC
Show InChI InChI=1S/C18H17ClFN3O2/c1-3-24-16-8-12-15(9-17(16)25-4-2)21-10-22-18(12)23-11-5-6-14(20)13(19)7-11/h5-10H,3-4H2,1-2H3,(H,21,22,23)
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Pfizer Central Research

Curated by ChEMBL


Assay Description
Compound was evaluated for its concentration required to inhibit the rat liver F16BPase


Bioorg Med Chem Lett 11: 17-21 (2001)

More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM4626
PNG
(Anilinoquinazoline deriv. 9 | CHEMBL301018 | N-(3-...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC
Show InChI InChI=1S/C16H13ClFN3O2/c1-22-14-6-10-13(7-15(14)23-2)19-8-20-16(10)21-9-3-4-12(18)11(17)5-9/h3-8H,1-2H3,(H,19,20,21)
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Pfizer Central Research

Curated by ChEMBL


Assay Description
Compound was evaluated for its concentration required to inhibit the rat liver F16BPase


Bioorg Med Chem Lett 11: 17-21 (2001)

More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM50117955
PNG
(4-[3-(6,7-Diethoxy-quinazolin-4-ylamino)-phenyl]-t...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3csc(n3)C(N)=O)c2cc1OCC
Show InChI InChI=1S/C22H21N5O3S/c1-3-29-18-9-15-16(10-19(18)30-4-2)24-12-25-21(15)26-14-7-5-6-13(8-14)17-11-31-22(27-17)20(23)28/h5-12H,3-4H2,1-2H3,(H2,23,28)(H,24,25,26)
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Pfizer Central Research

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition against (F16BP) Fructose-1,6-bisphosphatase in rat single mutant (Gln50Lys) enzyme using malachite green as...


J Med Chem 45: 3865-77 (2002)

More data for this
Ligand-Target Pair
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