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Compile Data Set for Download or QSAR

Found 179 hits with Last Name = 'van poelje' and Initial = 'pd'   
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
Thyroid hormone receptor


(Homo sapiens (Human))
BDBM18860
PNG
((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)
Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O
Show InChI InChI=1/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/s2
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0.220n/an/an/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]T3 from recombinant thyroid hormone receptor alpha (unknown origin) expressed in sf9 cells by scintillation proximity assay


Proc Natl Acad Sci U S A 104: 15490-5 (2007)


Article DOI: 10.1073/pnas.0702759104
BindingDB Entry DOI: 10.7270/Q2JW8DPH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM18869
PNG
(2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)
Show SMILES CC(C)c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)ccc1O
Show InChI InChI=1S/C17H16Cl2O4/c1-9(2)12-8-11(3-4-15(12)20)23-17-13(18)5-10(6-14(17)19)7-16(21)22/h3-6,8-9,20H,7H2,1-2H3,(H,21,22)
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0.370n/an/an/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]T3 from recombinant thyroid hormone receptor beta (unknown origin) expressed in sf9 cells by scintillation proximity assay


Proc Natl Acad Sci U S A 104: 15490-5 (2007)


Article DOI: 10.1073/pnas.0702759104
BindingDB Entry DOI: 10.7270/Q2JW8DPH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM18860
PNG
((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)
Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O
Show InChI InChI=1/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/s2
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0.550n/an/an/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]T3 from recombinant thyroid hormone receptor beta (unknown origin) expressed in sf9 cells by scintillation proximity assay


Proc Natl Acad Sci U S A 104: 15490-5 (2007)


Article DOI: 10.1073/pnas.0702759104
BindingDB Entry DOI: 10.7270/Q2JW8DPH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50242403
PNG
((3,5-dimethyl-4-(4-hydroxy-3-isopropylbenzyl)pheno...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(OCP(O)(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C19H25O5P/c1-12(2)17-9-15(5-6-19(17)20)10-18-13(3)7-16(8-14(18)4)24-11-25(21,22)23/h5-9,12,20H,10-11H2,1-4H3,(H2,21,22,23)
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2.17n/an/an/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]T3 from recombinant thyroid hormone receptor beta (unknown origin) expressed in sf9 cells by scintillation proximity assay


Proc Natl Acad Sci U S A 104: 15490-5 (2007)


Article DOI: 10.1073/pnas.0702759104
BindingDB Entry DOI: 10.7270/Q2JW8DPH
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (Human))
BDBM18869
PNG
(2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)
Show SMILES CC(C)c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)ccc1O
Show InChI InChI=1S/C17H16Cl2O4/c1-9(2)12-8-11(3-4-15(12)20)23-17-13(18)5-10(6-14(17)19)7-16(21)22/h3-6,8-9,20H,7H2,1-2H3,(H,21,22)
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7.18n/an/an/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]T3 from recombinant thyroid hormone receptor alpha (unknown origin) expressed in sf9 cells by scintillation proximity assay


Proc Natl Acad Sci U S A 104: 15490-5 (2007)


Article DOI: 10.1073/pnas.0702759104
BindingDB Entry DOI: 10.7270/Q2JW8DPH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid hormone receptor


(Homo sapiens (Human))
BDBM50242403
PNG
((3,5-dimethyl-4-(4-hydroxy-3-isopropylbenzyl)pheno...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(OCP(O)(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C19H25O5P/c1-12(2)17-9-15(5-6-19(17)20)10-18-13(3)7-16(8-14(18)4)24-11-25(21,22)23/h5-9,12,20H,10-11H2,1-4H3,(H2,21,22,23)
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35.2n/an/an/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]T3 from recombinant thyroid hormone receptor alpha (unknown origin) expressed in sf9 cells by scintillation proximity assay


Proc Natl Acad Sci U S A 104: 15490-5 (2007)


Article DOI: 10.1073/pnas.0702759104
BindingDB Entry DOI: 10.7270/Q2JW8DPH
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (Human))
BDBM50242404
PNG
((4S)-4-(3-chlorophenyl)-2-[(3,5-dimethyl-4-(4-hydr...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(OCP3(=O)OCC[C@H](O3)c3cccc(Cl)c3)cc2C)ccc1O
Show InChI InChI=1/C28H32ClO5P/c1-18(2)25-14-21(8-9-27(25)30)15-26-19(3)12-24(13-20(26)4)32-17-35(31)33-11-10-28(34-35)22-6-5-7-23(29)16-22/h5-9,12-14,16,18,28,30H,10-11,15,17H2,1-4H3/t28-,35?/s2
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1.25E+4n/an/an/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]T3 from recombinant thyroid hormone receptor alpha (unknown origin) expressed in sf9 cells by scintillation proximity assay


Proc Natl Acad Sci U S A 104: 15490-5 (2007)


Article DOI: 10.1073/pnas.0702759104
BindingDB Entry DOI: 10.7270/Q2JW8DPH
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50242404
PNG
((4S)-4-(3-chlorophenyl)-2-[(3,5-dimethyl-4-(4-hydr...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(OCP3(=O)OCC[C@H](O3)c3cccc(Cl)c3)cc2C)ccc1O
Show InChI InChI=1/C28H32ClO5P/c1-18(2)25-14-21(8-9-27(25)30)15-26-19(3)12-24(13-20(26)4)32-17-35(31)33-11-10-28(34-35)22-6-5-7-23(29)16-22/h5-9,12-14,16,18,28,30H,10-11,15,17H2,1-4H3/t28-,35?/s2
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1.46E+4n/an/an/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]T3 from recombinant thyroid hormone receptor beta (unknown origin) expressed in sf9 cells by scintillation proximity assay


Proc Natl Acad Sci U S A 104: 15490-5 (2007)


Article DOI: 10.1073/pnas.0702759104
BindingDB Entry DOI: 10.7270/Q2JW8DPH
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50293594
PNG
(5-(2-amino-5-isobutylthiazol-4-yl)furan-2-ylphosph...)
Show SMILES CC(C)Cc1sc(N)nc1-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C11H15N2O4PS/c1-6(2)5-8-10(13-11(12)19-8)7-3-4-9(17-7)18(14,15)16/h3-4,6H,5H2,1-2H3,(H2,12,13)(H2,14,15,16)
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n/an/a 16n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase 1


J Med Chem 53: 441-51 (2010)


Article DOI: 10.1021/jm901420x
BindingDB Entry DOI: 10.7270/Q2N58MFJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
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 55n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase 1


J Med Chem 53: 441-51 (2010)


Article DOI: 10.1021/jm901420x
BindingDB Entry DOI: 10.7270/Q2N58MFJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
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 55n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase 1


J Med Chem 53: 441-51 (2010)


Article DOI: 10.1021/jm901420x
BindingDB Entry DOI: 10.7270/Q2N58MFJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
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 55n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase 1


J Med Chem 53: 441-51 (2010)


Article DOI: 10.1021/jm901420x
BindingDB Entry DOI: 10.7270/Q2N58MFJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
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 60n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase 1


J Med Chem 53: 441-51 (2010)


Article DOI: 10.1021/jm901420x
BindingDB Entry DOI: 10.7270/Q2N58MFJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
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 70n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase 1


J Med Chem 53: 441-51 (2010)


Article DOI: 10.1021/jm901420x
BindingDB Entry DOI: 10.7270/Q2N58MFJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
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 80n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase 1


J Med Chem 53: 441-51 (2010)


Article DOI: 10.1021/jm901420x
BindingDB Entry DOI: 10.7270/Q2N58MFJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
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 90n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase 1


J Med Chem 53: 441-51 (2010)


Article DOI: 10.1021/jm901420x
BindingDB Entry DOI: 10.7270/Q2N58MFJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
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 90n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase 1


J Med Chem 53: 441-51 (2010)


Article DOI: 10.1021/jm901420x
BindingDB Entry DOI: 10.7270/Q2N58MFJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
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 100n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase 1


J Med Chem 53: 441-51 (2010)


Article DOI: 10.1021/jm901420x
BindingDB Entry DOI: 10.7270/Q2N58MFJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
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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Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase 1


J Med Chem 53: 441-51 (2010)


Article DOI: 10.1021/jm901420x
BindingDB Entry DOI: 10.7270/Q2N58MFJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
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 100n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase 1


J Med Chem 53: 441-51 (2010)


Article DOI: 10.1021/jm901420x
BindingDB Entry DOI: 10.7270/Q2N58MFJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
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 100n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase 1


J Med Chem 53: 441-51 (2010)


Article DOI: 10.1021/jm901420x
BindingDB Entry DOI: 10.7270/Q2N58MFJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
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 130n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase 1


J Med Chem 53: 441-51 (2010)


Article DOI: 10.1021/jm901420x
BindingDB Entry DOI: 10.7270/Q2N58MFJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
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 150n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase 1


J Med Chem 53: 441-51 (2010)


Article DOI: 10.1021/jm901420x
BindingDB Entry DOI: 10.7270/Q2N58MFJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
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 180n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase 1


J Med Chem 53: 441-51 (2010)


Article DOI: 10.1021/jm901420x
BindingDB Entry DOI: 10.7270/Q2N58MFJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
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 200n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase 1


J Med Chem 53: 441-51 (2010)


Article DOI: 10.1021/jm901420x
BindingDB Entry DOI: 10.7270/Q2N58MFJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
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 210n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase 1


J Med Chem 53: 441-51 (2010)


Article DOI: 10.1021/jm901420x
BindingDB Entry DOI: 10.7270/Q2N58MFJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
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 225n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase 1


J Med Chem 53: 441-51 (2010)


Article DOI: 10.1021/jm901420x
BindingDB Entry DOI: 10.7270/Q2N58MFJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
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 280n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase 1


J Med Chem 53: 441-51 (2010)


Article DOI: 10.1021/jm901420x
BindingDB Entry DOI: 10.7270/Q2N58MFJ
More data for this
Ligand-Target Pair
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


J Med Chem 53: 441-51 (2010)


Article DOI: 10.1021/jm901420x
BindingDB Entry DOI: 10.7270/Q2N58MFJ
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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Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver FBPase 1


J Med Chem 53: 441-51 (2010)


Article DOI: 10.1021/jm901420x
BindingDB Entry DOI: 10.7270/Q2N58MFJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
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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Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase 1


J Med Chem 53: 441-51 (2010)


Article DOI: 10.1021/jm901420x
BindingDB Entry DOI: 10.7270/Q2N58MFJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50303858
PNG
(4-Amino-5-bromo-1-isobutyl-2-[2-(5-phosphono)furan...)
Show SMILES CC(C)Cn1c(nc2c(N)c(Br)ccc12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C15H17BrN3O4P/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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Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase 1


J Med Chem 53: 441-51 (2010)


Article DOI: 10.1021/jm901420x
BindingDB Entry DOI: 10.7270/Q2N58MFJ
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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Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver FBPase 1


J Med Chem 53: 441-51 (2010)


Article DOI: 10.1021/jm901420x
BindingDB Entry DOI: 10.7270/Q2N58MFJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
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 450n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase 1


J Med Chem 53: 441-51 (2010)


Article DOI: 10.1021/jm901420x
BindingDB Entry DOI: 10.7270/Q2N58MFJ
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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Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver FBPase 1


J Med Chem 53: 441-51 (2010)


Article DOI: 10.1021/jm901420x
BindingDB Entry DOI: 10.7270/Q2N58MFJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50303855
PNG
(5-(4-amino-5-hydroxy-1-isobutyl-1H-benzo[d]imidazo...)
Show SMILES CC(C)Cn1c(nc2c(N)c(O)ccc12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C15H18N3O5P/c1-8(2)7-18-9-3-4-10(19)13(16)14(9)17-15(18)11-5-6-12(23-11)24(20,21)22/h3-6,8,19H,7,16H2,1-2H3,(H2,20,21,22)
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n/an/a 500n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase 1


J Med Chem 53: 441-51 (2010)


Article DOI: 10.1021/jm901420x
BindingDB Entry DOI: 10.7270/Q2N58MFJ
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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Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver FBPase 1


J Med Chem 53: 441-51 (2010)


Article DOI: 10.1021/jm901420x
BindingDB Entry DOI: 10.7270/Q2N58MFJ
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


J Med Chem 53: 441-51 (2010)


Article DOI: 10.1021/jm901420x
BindingDB Entry DOI: 10.7270/Q2N58MFJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
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 700n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase 1


J Med Chem 53: 441-51 (2010)


Article DOI: 10.1021/jm901420x
BindingDB Entry DOI: 10.7270/Q2N58MFJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50277609
PNG
(CHEMBL507312 | [5-(6-Amino-9-isobutyl-2-methylsulf...)
Show SMILES CSc1nc(N)c2nc(-c3ccc(o3)P(O)(O)=O)n(CC(C)C)c2n1
Show InChI InChI=1S/C14H18N5O4PS/c1-7(2)6-19-12(8-4-5-9(23-8)24(20,21)22)16-10-11(15)17-14(25-3)18-13(10)19/h4-5,7H,6H2,1-3H3,(H2,15,17,18)(H2,20,21,22)
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n/an/a 700n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase expressed in Escherichia coli by spectrophotometry


J Med Chem 52: 2880-98 (2009)


Article DOI: 10.1021/jm900078f
BindingDB Entry DOI: 10.7270/Q2V40V20
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50303885
PNG
(4-Amino-1-cyclopropylmethyl-2-[2-(5-phosphono)fura...)
Show SMILES Nc1cccc2n(CC3CC3)c(nc12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C15H16N3O4P/c16-10-2-1-3-11-14(10)17-15(18(11)8-9-4-5-9)12-6-7-13(22-12)23(19,20)21/h1-3,6-7,9H,4-5,8,16H2,(H2,19,20,21)
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n/an/a 800n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase 1


J Med Chem 53: 441-51 (2010)


Article DOI: 10.1021/jm901420x
BindingDB Entry DOI: 10.7270/Q2N58MFJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
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 800n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase 1


J Med Chem 53: 441-51 (2010)


Article DOI: 10.1021/jm901420x
BindingDB Entry DOI: 10.7270/Q2N58MFJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
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 800n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase expressed in Escherichia coli by spectrophotometry


J Med Chem 52: 2880-98 (2009)


Article DOI: 10.1021/jm900078f
BindingDB Entry DOI: 10.7270/Q2V40V20
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
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 800n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase 1


J Med Chem 53: 441-51 (2010)


Article DOI: 10.1021/jm901420x
BindingDB Entry DOI: 10.7270/Q2N58MFJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
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 850n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase 1


J Med Chem 53: 441-51 (2010)


Article DOI: 10.1021/jm901420x
BindingDB Entry DOI: 10.7270/Q2N58MFJ
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


J Med Chem 53: 441-51 (2010)


Article DOI: 10.1021/jm901420x
BindingDB Entry DOI: 10.7270/Q2N58MFJ
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


J Med Chem 53: 441-51 (2010)


Article DOI: 10.1021/jm901420x
BindingDB Entry DOI: 10.7270/Q2N58MFJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
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 900n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase 1


J Med Chem 53: 441-51 (2010)


Article DOI: 10.1021/jm901420x
BindingDB Entry DOI: 10.7270/Q2N58MFJ
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


J Med Chem 53: 441-51 (2010)


Article DOI: 10.1021/jm901420x
BindingDB Entry DOI: 10.7270/Q2N58MFJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
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 900n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase expressed in Escherichia coli by spectrophotometry


J Med Chem 52: 2880-98 (2009)


Article DOI: 10.1021/jm900078f
BindingDB Entry DOI: 10.7270/Q2V40V20
More data for this
Ligand-Target Pair
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