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PubMed code 21126019

Compile data set for download or QSAR
Found 73 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


(Homo sapiens (Human))
BDBM50335039
PNG
(2-Amino-5-cyclopropylmethyl-4-[2-(5-phosphono)fura...)
Show SMILES Nc1nc(-c2ccc(o2)P(O)(O)=O)c(s1)C1CCCCC1
Show InChI InChI=1S/C13H17N2O4PS/c14-13-15-11(9-6-7-10(19-9)20(16,17)18)12(21-13)8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,14,15)(H2,16,17,18)
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n/an/a 10n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335036
PNG
(2-Amino-5-cyclobutyl-4-[2-(5-phosphono)furanyl]thi...)
Show SMILES CC(C)(C)Cc1sc(N)nc1-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C12H17N2O4PS/c1-12(2,3)6-8-10(14-11(13)20-8)7-4-5-9(18-7)19(15,16)17/h4-5H,6H2,1-3H3,(H2,13,14)(H2,15,16,17)
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n/an/a 12n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335069
PNG
(2-Amino-5-(2-naphthyl)-4-[2-(5-phosphono)furanyl]t...)
Show SMILES Nc1nc(-c2ccc(o2)P(O)(O)=O)c(s1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C17H13N2O4PS/c18-17-19-15(13-7-8-14(23-13)24(20,21)22)16(25-17)12-6-5-10-3-1-2-4-11(10)9-12/h1-9H,(H2,18,19)(H2,20,21,22)
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n/an/a 12n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335065
PNG
(2-Amino-5-(4-chlorophenyl)-4-[2-(5-phosphono)furan...)
Show SMILES Nc1nc(-c2ccc(o2)P(O)(O)=O)c(s1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C13H10ClN2O4PS/c14-8-3-1-7(2-4-8)12-11(16-13(15)22-12)9-5-6-10(20-9)21(17,18)19/h1-6H,(H2,15,16)(H2,17,18,19)
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n/an/a 13n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335054
PNG
(2-Amino-4-[2-(5-phosphono)furanyl]-5-ethoxycarbony...)
Show SMILES CCOC(=O)c1sc(N)nc1-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C10H11N2O6PS/c1-2-17-9(13)8-7(12-10(11)20-8)5-3-4-6(18-5)19(14,15)16/h3-4H,2H2,1H3,(H2,11,12)(H2,14,15,16)
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n/an/a 14n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335057
PNG
(5-(2-amino-5-phenylthiazol-4-yl)furan-2-ylphosphon...)
Show SMILES Nc1nc(-c2ccc(o2)P(O)(O)=O)c(s1)-c1ccccc1
Show InChI InChI=1S/C13H11N2O4PS/c14-13-15-11(9-6-7-10(19-9)20(16,17)18)12(21-13)8-4-2-1-3-5-8/h1-7H,(H2,14,15)(H2,16,17,18)
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n/an/a 14n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335063
PNG
(2-Amino-5-(4-methoxycarbonylphenyl)-4-[2-(5-phosph...)
Show SMILES COC(=O)c1ccc(cc1)-c1sc(N)nc1-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C15H13N2O6PS/c1-22-14(18)9-4-2-8(3-5-9)13-12(17-15(16)25-13)10-6-7-11(23-10)24(19,20)21/h2-7H,1H3,(H2,16,17)(H2,19,20,21)
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n/an/a 14n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335055
PNG
(2-Amino-5-benzyloxycarbonyl-4-[2-(5-phosphono)fura...)
Show SMILES Nc1nc(-c2ccc(o2)P(O)(O)=O)c(s1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C15H13N2O6PS/c16-15-17-12(10-6-7-11(23-10)24(19,20)21)13(25-15)14(18)22-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,16,17)(H2,19,20,21)
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n/an/a 15n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335083
PNG
(2-Amino-4-[2-(5-phosphono)furanyl]-5-propylsulfany...)
Show SMILES CCCSc1sc(N)nc1-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C10H13N2O4PS2/c1-2-5-18-9-8(12-10(11)19-9)6-3-4-7(16-6)17(13,14)15/h3-4H,2,5H2,1H3,(H2,11,12)(H2,13,14,15)
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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 FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335064
PNG
(2-Amino-5-(4-fluorophenyl)-4-[2-(5-phosphono)furan...)
Show SMILES Nc1nc(-c2ccc(o2)P(O)(O)=O)c(s1)-c1ccc(F)cc1
Show InChI InChI=1S/C13H10FN2O4PS/c14-8-3-1-7(2-4-8)12-11(16-13(15)22-12)9-5-6-10(20-9)21(17,18)19/h1-6H,(H2,15,16)(H2,17,18,19)
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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 FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335048
PNG
(2-Amino-5-(N-morpholinyl)-4-[2-(5-phosphono)furany...)
Show SMILES Nc1nc(-c2ccc(o2)P(O)(O)=O)c(s1)N1CCOCC1
Show InChI InChI=1S/C11H14N3O5PS/c12-11-13-9(7-1-2-8(19-7)20(15,16)17)10(21-11)14-3-5-18-6-4-14/h1-2H,3-6H2,(H2,12,13)(H2,15,16,17)
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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 FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335041
PNG
(2-Amino-5-cyclohexylmethyl-4-[2-(5-phosphono)furan...)
Show SMILES Nc1nc(c(CC2CCCC2)s1)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C13H17N2O4PS/c14-13-15-12(9-5-6-11(19-9)20(16,17)18)10(21-13)7-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H2,14,15)(H2,16,17,18)
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n/an/a 18n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335037
PNG
(2-Amino-5-cyclopentyl-4-[2-(5-phosphono)furanyl]th...)
Show SMILES Nc1nc(-c2ccc(o2)P(O)(O)=O)c(s1)C1CCC1
Show InChI InChI=1S/C11H13N2O4PS/c12-11-13-9(10(19-11)6-2-1-3-6)7-4-5-8(17-7)18(14,15)16/h4-6H,1-3H2,(H2,12,13)(H2,14,15,16)
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n/an/a 19n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335040
PNG
(2-Amino-5-cyclopentylmethyl-4-[2-(5-phosphono)fura...)
Show SMILES Nc1nc(c(CC2CC2)s1)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C11H13N2O4PS/c12-11-13-10(8(19-11)5-6-1-2-6)7-3-4-9(17-7)18(14,15)16/h3-4,6H,1-2,5H2,(H2,12,13)(H2,14,15,16)
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n/an/a 20n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335038
PNG
(2-Amino-5-cyclohexyl-4-[2-(5-phosphono)furanyl]thi...)
Show SMILES Nc1nc(-c2ccc(o2)P(O)(O)=O)c(s1)C1CCCC1
Show InChI InChI=1S/C12H15N2O4PS/c13-12-14-10(11(20-12)7-3-1-2-4-7)8-5-6-9(18-8)19(15,16)17/h5-7H,1-4H2,(H2,13,14)(H2,15,16,17)
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n/an/a 21n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335059
PNG
(2-Amino-5-(3-methoxyphenyl)-4-[2-(5-phosphono)fura...)
Show SMILES COc1cccc(c1)-c1sc(N)nc1-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C14H13N2O5PS/c1-20-9-4-2-3-8(7-9)13-12(16-14(15)23-13)10-5-6-11(21-10)22(17,18)19/h2-7H,1H3,(H2,15,16)(H2,17,18,19)
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n/an/a 21n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335061
PNG
(2-Amino-5-(4-methylthiophenyl)-4-[2-(5-phosphono)f...)
Show SMILES CSc1ccc(cc1)-c1sc(N)nc1-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C14H13N2O4PS2/c1-22-9-4-2-8(3-5-9)13-12(16-14(15)23-13)10-6-7-11(20-10)21(17,18)19/h2-7H,1H3,(H2,15,16)(H2,17,18,19)
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n/an/a 21n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335060
PNG
(2-Amino-5-(4-methoxyphenyl)-4-[2-(5-phosphono)fura...)
Show SMILES COc1ccc(cc1)-c1sc(N)nc1-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C14H13N2O5PS/c1-20-9-4-2-8(3-5-9)13-12(16-14(15)23-13)10-6-7-11(21-10)22(17,18)19/h2-7H,1H3,(H2,15,16)(H2,17,18,19)
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n/an/a 22n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335051
PNG
(2-Amino-5-tert-butylthio-4-[2-(5-phosphono)furanyl...)
Show SMILES CC(C)(C)Sc1sc(N)nc1-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C11H15N2O4PS2/c1-11(2,3)20-9-8(13-10(12)19-9)6-4-5-7(17-6)18(14,15)16/h4-5H,1-3H3,(H2,12,13)(H2,14,15,16)
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n/an/a 24n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335050
PNG
(2-Amino-5-isopropylthio-4-[2-(5-phosphono)furanyl]...)
Show SMILES CC(C)Sc1sc(N)nc1-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C10H13N2O4PS2/c1-5(2)18-9-8(12-10(11)19-9)6-3-4-7(16-6)17(13,14)15/h3-5H,1-2H3,(H2,11,12)(H2,13,14,15)
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n/an/a 24n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(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 25n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335034
PNG
(2-Amino-5-(2,2,2-trifluoroethyl)-4-[2-(5-phosphono...)
Show SMILES CC(C)c1sc(N)nc1-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C10H13N2O4PS/c1-5(2)9-8(12-10(11)18-9)6-3-4-7(16-6)17(13,14)15/h3-5H,1-2H3,(H2,11,12)(H2,13,14,15)
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n/an/a 28n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335033
PNG
(2-Amino-5-isopropyl-4-[2-(5-phosphono)furanyl]thia...)
Show SMILES CCCc1sc(N)nc1-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C10H13N2O4PS/c1-2-3-7-9(12-10(11)18-7)6-4-5-8(16-6)17(13,14)15/h4-5H,2-3H2,1H3,(H2,11,12)(H2,13,14,15)
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n/an/a 30n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335066
PNG
(2-Amino-5-(4-acetylphenyl)-4-[2-(5-phosphono)furan...)
Show SMILES CC(=O)c1ccc(cc1)-c1sc(N)nc1-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C15H13N2O5PS/c1-8(18)9-2-4-10(5-3-9)14-13(17-15(16)24-14)11-6-7-12(22-11)23(19,20)21/h2-7H,1H3,(H2,16,17)(H2,19,20,21)
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n/an/a 32n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335049
PNG
(2-Amino-5-ethylthio-4-[2-(5-phosphono)furanyl]thia...)
Show SMILES CCSc1sc(N)nc1-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C9H11N2O4PS2/c1-2-17-8-7(11-9(10)18-8)5-3-4-6(15-5)16(12,13)14/h3-4H,2H2,1H3,(H2,10,11)(H2,12,13,14)
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n/an/a 33n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335068
PNG
(2-Amino-5-(4-phenylphenyl)-4-[2-(5-phosphono)furan...)
Show SMILES Nc1nc(-c2ccc(o2)P(O)(O)=O)c(s1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C19H15N2O4PS/c20-19-21-17(15-10-11-16(25-15)26(22,23)24)18(27-19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,(H2,20,21)(H2,22,23,24)
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n/an/a 34n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335070
PNG
(2-Amino-5-(2-furanyl)-4-[2-(5-phosphono)furanyl]th...)
Show SMILES Nc1nc(-c2ccc(o2)P(O)(O)=O)c(s1)-c1ccco1
Show InChI InChI=1S/C11H9N2O5PS/c12-11-13-9(10(20-11)7-2-1-5-17-7)6-3-4-8(18-6)19(14,15)16/h1-5H,(H2,12,13)(H2,14,15,16)
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n/an/a 40n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335067
PNG
(2-Amino-5-(4-methanesulfonyl)-4-[2-(5-phosphono)fu...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1sc(N)nc1-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C14H13N2O6PS2/c1-25(20,21)9-4-2-8(3-5-9)13-12(16-14(15)24-13)10-6-7-11(22-10)23(17,18)19/h2-7H,1H3,(H2,15,16)(H2,17,18,19)
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n/an/a 41n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335058
PNG
(2-Amino-5-(2-methoxyphenyl)-4-[2-(5-phosphono)fura...)
Show SMILES COc1ccccc1-c1sc(N)nc1-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C14H13N2O5PS/c1-20-9-5-3-2-4-8(9)13-12(16-14(15)23-13)10-6-7-11(21-10)22(17,18)19/h2-7H,1H3,(H2,15,16)(H2,17,18,19)
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n/an/a 43n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335071
PNG
(2-Amino-5-(2-thienyl)-4-[2-(5-phosphono)furanyl]th...)
Show SMILES Nc1nc(-c2ccc(o2)P(O)(O)=O)c(s1)-c1cccs1
Show InChI InChI=1S/C11H9N2O4PS2/c12-11-13-9(10(20-11)7-2-1-5-19-7)6-3-4-8(17-6)18(14,15)16/h1-5H,(H2,12,13)(H2,14,15,16)
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n/an/a 44n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335046
PNG
(2-Amino-5-bromo-4-[2-(5-phosphono)furanyl]thiazole...)
Show SMILES Nc1nc(c(Br)s1)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C7H6BrN2O4PS/c8-6-5(10-7(9)16-6)3-1-2-4(14-3)15(11,12)13/h1-2H,(H2,9,10)(H2,11,12,13)
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n/an/a 50n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335075
PNG
(2-Amino-5-propyl-4-phosphonomethoxycarbonylthiazol...)
Show SMILES CCCc1sc(N)nc1C(=O)OCP(O)(O)=O
Show InChI InChI=1S/C8H13N2O5PS/c1-2-3-5-6(10-8(9)17-5)7(11)15-4-16(12,13)14/h2-4H2,1H3,(H2,9,10)(H2,12,13,14)
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n/an/a 50n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335035
PNG
(2-Amino-5-neopentyl-4-[2-(5-phosphono)furanyl]thia...)
Show SMILES Nc1nc(-c2ccc(o2)P(O)(O)=O)c(CC(F)(F)F)s1
Show InChI InChI=1S/C9H8F3N2O4PS/c10-9(11,12)3-5-7(14-8(13)20-5)4-1-2-6(18-4)19(15,16)17/h1-2H,3H2,(H2,13,14)(H2,15,16,17)
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n/an/a 57n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335042
PNG
(2-Amino-5-benzyl-4-[2-(5-phosphono)furanyl]thiazol...)
Show SMILES Nc1nc(c(CC2CCCCC2)s1)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C14H19N2O4PS/c15-14-16-13(10-6-7-12(20-10)21(17,18)19)11(22-14)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H2,15,16)(H2,17,18,19)
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n/an/a 59n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335045
PNG
(2-Amino-5-chloro-4-[2-(5-phosphono)furanyl]thiazol...)
Show SMILES Nc1nc(c(Cl)s1)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C7H6ClN2O4PS/c8-6-5(10-7(9)16-6)3-1-2-4(14-3)15(11,12)13/h1-2H,(H2,9,10)(H2,11,12,13)
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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 FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335082
PNG
(2-Amino-5-phenyl-4-[1-(4-fluoro-3-phosphono)phenyl...)
Show SMILES Nc1nc(c(s1)-c1ccccc1)-c1cc(ccc1F)P(O)(O)=O
Show InChI InChI=1S/C15H12FN2O3PS/c16-12-7-6-10(22(19,20)21)8-11(12)13-14(23-15(17)18-13)9-4-2-1-3-5-9/h1-8H,(H2,17,18)(H2,19,20,21)
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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 FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335090
PNG
(2-Bromo-5-isobutyl-4-[2-(5-phosphono)furanyl]thiaz...)
Show SMILES CC(C)Cc1sc(Br)nc1-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C11H13BrNO4PS/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,(H2,14,15,16)
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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 FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335062
PNG
(2-Amino-5-(4-tert-butylphenyl)-4-[2-(5-phosphono)f...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1sc(N)nc1-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C17H19N2O4PS/c1-17(2,3)11-6-4-10(5-7-11)15-14(19-16(18)25-15)12-8-9-13(23-12)24(20,21)22/h4-9H,1-3H3,(H2,18,19)(H2,20,21,22)
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n/an/a 88n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(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 90n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335047
PNG
(2-Amino-5-iodo-4-[2-(5-phosphono)furanyl]thiazole ...)
Show SMILES Nc1nc(c(I)s1)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C7H6IN2O4PS/c8-6-5(10-7(9)16-6)3-1-2-4(14-3)15(11,12)13/h1-2H,(H2,9,10)(H2,11,12,13)
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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 FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335084
PNG
(2-Methyl-5-isobutyl-4-[2-(5-phosphono)furanyl]-thi...)
Show SMILES CC(C)Cc1sc(C)nc1-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C12H16NO4PS/c1-7(2)6-10-12(13-8(3)19-10)9-4-5-11(17-9)18(14,15)16/h4-5,7H,6H2,1-3H3,(H2,14,15,16)
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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 FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335031
PNG
(2-Amino-5-hydroxymethyl-4-[2-(5-phosphono)furanyl]...)
Show SMILES Cc1sc(N)nc1-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C8H9N2O4PS/c1-4-7(10-8(9)16-4)5-2-3-6(14-5)15(11,12)13/h2-3H,1H3,(H2,9,10)(H2,11,12,13)
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n/an/a 120n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335080
PNG
(2-Amino-5-propyl-4-[1-(4-methyl-3-phosphono)phenyl...)
Show SMILES CCCc1sc(N)nc1-c1cc(ccc1C)P(O)(O)=O
Show InChI InChI=1S/C13H17N2O3PS/c1-3-4-11-12(15-13(14)20-11)10-7-9(19(16,17)18)6-5-8(10)2/h5-7H,3-4H2,1-2H3,(H2,14,15)(H2,16,17,18)
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n/an/a 135n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335043
PNG
(2-Amino-5-[(4-morpholinyl)methyl]-4-[2-(5-phosphon...)
Show SMILES Nc1nc(-c2ccc(o2)P(O)(O)=O)c(Cc2ccccc2)s1
Show InChI InChI=1S/C14H13N2O4PS/c15-14-16-13(10-6-7-12(20-10)21(17,18)19)11(22-14)8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,15,16)(H2,17,18,19)
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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 FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335089
PNG
(2-Chloro-5-isobutyl-4-[2-(5-phosphono)furanyl]thia...)
Show SMILES CC(C)Cc1sc(Cl)nc1-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C11H13ClNO4PS/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,(H2,14,15,16)
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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 FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335081
PNG
(2-Amino-5-isopropyl-4-[1-(4-methoxy-3-phosphono)ph...)
Show SMILES COc1ccc(cc1-c1nc(N)sc1C(C)C)P(O)(O)=O
Show InChI InChI=1S/C13H17N2O4PS/c1-7(2)12-11(15-13(14)21-12)9-6-8(20(16,17)18)4-5-10(9)19-3/h4-7H,1-3H3,(H2,14,15)(H2,16,17,18)
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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 FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335087
PNG
(2-Hydroxymethyl-5-isobutyl-4-[2-(5-phosphono)furan...)
Show SMILES CC(C)Cc1sc(CO)nc1-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C12H16NO5PS/c1-7(2)5-9-12(13-10(6-14)20-9)8-3-4-11(18-8)19(15,16)17/h3-4,7,14H,5-6H2,1-2H3,(H2,15,16,17)
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n/an/a 220n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335079
PNG
(2-Amino-5-propyl-4-[1-(3-phosphono)phenyl]thiazole...)
Show SMILES CCCc1sc(N)nc1-c1cccc(c1)P(O)(O)=O
Show InChI InChI=1S/C12H15N2O3PS/c1-2-4-10-11(14-12(13)19-10)8-5-3-6-9(7-8)18(15,16)17/h3,5-7H,2,4H2,1H3,(H2,13,14)(H2,15,16,17)
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n/an/a 250n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335052
PNG
(2-Amino-5-phenylthio-4-[2-(5-phosphono)furanyl]thi...)
Show SMILES Nc1nc(-c2ccc(o2)P(O)(O)=O)c(Sc2ccccc2)s1
Show InChI InChI=1S/C13H11N2O4PS2/c14-13-15-11(9-6-7-10(19-9)20(16,17)18)12(22-13)21-8-4-2-1-3-5-8/h1-7H,(H2,14,15)(H2,16,17,18)
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n/an/a 300n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335085
PNG
(2-Ethyl-5-isobutyl-4-[2-(5-phosphono)furanyl]thiaz...)
Show SMILES CCc1nc(c(CC(C)C)s1)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C13H18NO4PS/c1-4-11-14-13(10(20-11)7-8(2)3)9-5-6-12(18-9)19(15,16)17/h5-6,8H,4,7H2,1-3H3,(H2,15,16,17)
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n/an/a 400n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335030
PNG
(2-Amino-5-methyl-4-[2-(5-phosphono)furanyl]thiazol...)
Show SMILES Nc1nc(cs1)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C7H7N2O4PS/c8-7-9-4(3-15-7)5-1-2-6(13-5)14(10,11)12/h1-3H,(H2,8,9)(H2,10,11,12)
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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 FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335088
PNG
(5-Isobutyl-4-[2-(5-phosphono)furanyl]thiazole | CH...)
Show SMILES CC(C)Cc1scnc1-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C11H14NO4PS/c1-7(2)5-9-11(12-6-18-9)8-3-4-10(16-8)17(13,14)15/h3-4,6-7H,5H2,1-2H3,(H2,13,14,15)
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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 FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335032
PNG
(2-Amino-5-propyl-4-[2-(5-phosphono)furanyl]thiazol...)
Show SMILES Nc1nc(c(CO)s1)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C8H9N2O5PS/c9-8-10-7(5(3-11)17-8)4-1-2-6(15-4)16(12,13)14/h1-2,11H,3H2,(H2,9,10)(H2,12,13,14)
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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 FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335096
PNG
(2-Thiocarbamoyl-5-isobutyl-4-[2-(5-phosphono)furan...)
Show SMILES CC(C)Cc1sc(nc1-c1ccc(o1)P(O)(O)=O)C(N)=S
Show InChI InChI=1S/C12H15N2O4PS2/c1-6(2)5-8-10(14-12(21-8)11(13)20)7-3-4-9(18-7)19(15,16)17/h3-4,6H,5H2,1-2H3,(H2,13,20)(H2,15,16,17)
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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 FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335044
PNG
(5-(2-amino-5-(morpholinomethyl)thiazol-4-yl)furan-...)
Show SMILES Nc1nc(c(CN2CCOCC2)s1)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C12H16N3O5PS/c13-12-14-11(8-1-2-10(20-8)21(16,17)18)9(22-12)7-15-3-5-19-6-4-15/h1-2H,3-7H2,(H2,13,14)(H2,16,17,18)
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n/an/a 560n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


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



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335056
PNG
(2-Amino-4-[2-(5-phosphono)furanyl]-5-(propane-1-su...)
Show SMILES CCCS(=O)c1sc(N)nc1-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C10H13N2O5PS2/c1-2-5-20(16)9-8(12-10(11)19-9)6-3-4-7(17-6)18(13,14)15/h3-4H,2,5H2,1H3,(H2,11,12)(H2,13,14,15)
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n/an/a 858n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335091
PNG
(2-Methylthio-5-isobutyl-4-[2-(5-phosphono)furanyl]...)
Show SMILES CSc1nc(c(CC(C)C)s1)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C12H16NO4PS2/c1-7(2)6-9-11(13-12(19-3)20-9)8-4-5-10(17-8)18(14,15)16/h4-5,7H,6H2,1-3H3,(H2,14,15,16)
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n/an/a 890n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335076
PNG
(2-Amino-5-(2-thienyl)-4-[(N-phosphonomethyl)carbam...)
Show SMILES Nc1nc(C(=O)NCP(O)(O)=O)c(s1)-c1cccs1
Show InChI InChI=1S/C9H10N3O4PS2/c10-9-12-6(8(13)11-4-17(14,15)16)7(19-9)5-2-1-3-18-5/h1-3H,4H2,(H2,10,12)(H,11,13)(H2,14,15,16)
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n/an/a 950n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335093
PNG
(2-Methylamino-5-isobutyl-4-[2-(5-phosphono)furanyl...)
Show SMILES CNc1nc(c(CC(C)C)s1)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C12H17N2O4PS/c1-7(2)6-9-11(14-12(13-3)20-9)8-4-5-10(18-8)19(15,16)17/h4-5,7H,6H2,1-3H3,(H,13,14)(H2,15,16,17)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335086
PNG
(2-Vinyl-5-isobutyl-4-[2-(5-phosphono)furanyl]thiaz...)
Show SMILES CC(C)Cc1sc(C=C)nc1-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C13H16NO4PS/c1-4-11-14-13(10(20-11)7-8(2)3)9-5-6-12(18-9)19(15,16)17/h4-6,8H,1,7H2,2-3H3,(H2,15,16,17)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335078
PNG
(2-Amino-4-[1-(3-phosphono)phenyl]thiazole | CHEMBL...)
Show SMILES Nc1nc(cs1)-c1cccc(c1)P(O)(O)=O
Show InChI InChI=1S/C9H9N2O3PS/c10-9-11-8(5-16-9)6-2-1-3-7(4-6)15(12,13)14/h1-5H,(H2,10,11)(H2,12,13,14)
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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 human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335053
PNG
(2-Amino-5-[(N,N-dimethyl)carbamoyl]-4-[2-(5-phosph...)
Show SMILES CN(C)C(=O)c1sc(N)nc1-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C10H12N3O5PS/c1-13(2)9(14)8-7(12-10(11)20-8)5-3-4-6(18-5)19(15,16)17/h3-4H,1-2H3,(H2,11,12)(H2,15,16,17)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335077
PNG
(2-Amino-4-[2-(6-phosphono)pyridyl]thiazole | CHEMB...)
Show SMILES Nc1nc(cs1)-c1cccc(n1)P(O)(O)=O
Show InChI InChI=1S/C8H8N3O3PS/c9-8-11-6(4-16-8)5-2-1-3-7(10-5)15(12,13)14/h1-4H,(H2,9,11)(H2,12,13,14)
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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 human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335092
PNG
(2-Cyano-5-isobutyl-4-[2-(5-phosphono)furanyl]thiaz...)
Show SMILES CC(C)Cc1sc(nc1-c1ccc(o1)P(O)(O)=O)C#N
Show InChI InChI=1S/C12H13N2O4PS/c1-7(2)5-9-12(14-10(6-13)20-9)8-3-4-11(18-8)19(15,16)17/h3-4,7H,5H2,1-2H3,(H2,15,16,17)
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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 human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335095
PNG
(2-Carbamoyl-5-isobutyl-4-[2-(5-phosphono)furanyl]t...)
Show SMILES CC(C)Cc1sc(nc1-c1ccc(o1)P(O)(O)=O)C(N)=O
Show InChI InChI=1S/C12H15N2O5PS/c1-6(2)5-8-10(14-12(21-8)11(13)15)7-3-4-9(19-7)20(16,17)18/h3-4,6H,5H2,1-2H3,(H2,13,15)(H2,16,17,18)
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n/an/a 2.75E+3n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335029
PNG
(2-(3-Pyridyl)-5-isobutyl-4-[2-(5-phosphono)furanyl...)
Show SMILES CC(C)Cc1sc(nc1-c1ccc(o1)P(O)(O)=O)-c1cccnc1
Show InChI InChI=1S/C16H17N2O4PS/c1-10(2)8-13-15(12-5-6-14(22-12)23(19,20)21)18-16(24-13)11-4-3-7-17-9-11/h3-7,9-10H,8H2,1-2H3,(H2,19,20,21)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335028
PNG
(2-(2-Thienyl)-5-isobutyl-4-[2-(5-phosphono)furanyl...)
Show SMILES CC(C)Cc1sc(nc1-c1ccc(o1)P(O)(O)=O)-c1cccs1
Show InChI InChI=1S/C15H16NO4PS2/c1-9(2)8-12-14(10-5-6-13(20-10)21(17,18)19)16-15(23-12)11-4-3-7-22-11/h3-7,9H,8H2,1-2H3,(H2,17,18,19)
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n/an/a 8.00E+3n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335072
PNG
(5-(2-amino-5-propylthiazol-4-yl)thiophen-2-ylphosp...)
Show SMILES CCCc1sc(N)nc1-c1ccc(s1)P(O)(O)=O
Show InChI InChI=1S/C10H13N2O3PS2/c1-2-3-6-9(12-10(11)18-6)7-4-5-8(17-7)16(13,14)15/h4-5H,2-3H2,1H3,(H2,11,12)(H2,13,14,15)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335074
PNG
(2-Amino-5-phenyl-4-[2-(5-methyl-4-phosphono)oxazol...)
Show SMILES Cc1oc(nc1P(O)(O)=O)-c1nc(N)sc1-c1ccccc1
Show InChI InChI=1S/C13H12N3O4PS/c1-7-12(21(17,18)19)16-11(20-7)9-10(22-13(14)15-9)8-5-3-2-4-6-8/h2-6H,1H3,(H2,14,15)(H2,17,18,19)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335073
PNG
(2-Amino-5-phenyl-4-[3-(1-phosphono)pyrrolyl]thiazo...)
Show SMILES Nc1nc(c(s1)-c1ccccc1)-n1ccc(c1)P(O)(O)=O
Show InChI InChI=1S/C13H12N3O3PS/c14-13-15-12(11(21-13)9-4-2-1-3-5-9)16-7-6-10(8-16)20(17,18)19/h1-8H,(H2,14,15)(H2,17,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335094
PNG
(2-Acetamido-5-isobutyl-4-[2-(5-phosphono)furanyl]t...)
Show SMILES CC(C)Cc1sc(NC(C)=O)nc1-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C13H17N2O5PS/c1-7(2)6-10-12(15-13(22-10)14-8(3)16)9-4-5-11(20-9)21(17,18)19/h4-5,7H,6H2,1-3H3,(H,14,15,16)(H2,17,18,19)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50335027
PNG
(2-Phenyl-5-isobutyl-4-[2-(5-phosphono)furanyl]thia...)
Show SMILES CC(C)Cc1sc(nc1-c1ccc(o1)P(O)(O)=O)-c1ccccc1
Show InChI InChI=1S/C17H18NO4PS/c1-11(2)10-14-16(13-8-9-15(22-13)23(19,20)21)18-17(24-14)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H2,19,20,21)
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n/an/a 1.35E+4n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP


J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%