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Compile Data Set for Download or QSAR

Found 73 hits Enz. Inhib. hit(s) with all data for entry = 50028613   
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 (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))
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))
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
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM18137
PNG
(AMP | CHEMBL752 | [(2R,3S,4R,5R)-5-adenin-9-yl-3,4...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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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 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
3D
3D Structure (crystal)
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
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 1.10E+3n/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


(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


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))
BDBM50277467
PNG
(5-(6-amino-9-(2-cyclohexylethyl)-9H-purin-8-yl)fur...)
Show SMILES Nc1ncnc2n(CCC3CCCCC3)c(nc12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C17H22N5O4P/c18-15-14-17(20-10-19-15)22(9-8-11-4-2-1-3-5-11)16(21-14)12-6-7-13(26-12)27(23,24)25/h6-7,10-11H,1-5,8-9H2,(H2,18,19,20)(H2,23,24,25)
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n/an/a 1.40E+3n/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))
BDBM50277494
PNG
(CHEMBL514803 | [5-(6-Amino-9-cyclopropyl-9H-purin-...)
Show SMILES Nc1ncnc2n(C3CC3)c(nc12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C12H12N5O4P/c13-10-9-12(15-5-14-10)17(6-1-2-6)11(16-9)7-3-4-8(21-7)22(18,19)20/h3-6H,1-2H2,(H2,13,14,15)(H2,18,19,20)
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n/an/a 1.50E+3n/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))
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 1.50E+3n/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))
BDBM50277657
PNG
(CHEMBL447259 | {5-[6-Amino-9-(3,3-dimethyl-butyl)-...)
Show SMILES CC(C)(C)CCn1c(nc2c(N)ncnc12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C15H20N5O4P/c1-15(2,3)6-7-20-13(9-4-5-10(24-9)25(21,22)23)19-11-12(16)17-8-18-14(11)20/h4-5,8H,6-7H2,1-3H3,(H2,16,17,18)(H2,21,22,23)
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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 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))
BDBM50277563
PNG
(CHEMBL510249 | [5-(6-Amino-9-ethyl-9H-purin-8-yl)-...)
Show SMILES CCn1c(nc2c(N)ncnc12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C11H12N5O4P/c1-2-16-10(6-3-4-7(20-6)21(17,18)19)15-8-9(12)13-5-14-11(8)16/h3-5H,2H2,1H3,(H2,12,13,14)(H2,17,18,19)
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n/an/a 1.80E+3n/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


(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


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))
BDBM50277562
PNG
(CHEMBL519477 | [5-(6-Amino-9-cyclopentyl-9H-purin-...)
Show SMILES Nc1ncnc2n(C3CCCC3)c(nc12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C14H16N5O4P/c15-12-11-14(17-7-16-12)19(8-3-1-2-4-8)13(18-11)9-5-6-10(23-9)24(20,21)22/h5-8H,1-4H2,(H2,15,16,17)(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 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))
BDBM50277468
PNG
(CHEMBL475305 | [5-(6-Amino-9-naphthalen-2-ylmethyl...)
Show SMILES Nc1ncnc2n(Cc3ccc4ccccc4c3)c(nc12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C20H16N5O4P/c21-18-17-20(23-11-22-18)25(10-12-5-6-13-3-1-2-4-14(13)9-12)19(24-17)15-7-8-16(29-15)30(26,27)28/h1-9,11H,10H2,(H2,21,22,23)(H2,26,27,28)
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n/an/a 3.30E+3n/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


(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


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))
BDBM50277612
PNG
(CHEMBL520490 | {5-[6-Amino-9-(3-hydroxy-2,2-dimeth...)
Show SMILES CC(C)(CO)Cn1c(nc2c(N)ncnc12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C14H18N5O5P/c1-14(2,6-20)5-19-12(8-3-4-9(24-8)25(21,22)23)18-10-11(15)16-7-17-13(10)19/h3-4,7,20H,5-6H2,1-2H3,(H2,15,16,17)(H2,21,22,23)
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n/an/a 4.50E+3n/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))
BDBM50277658
PNG
(CHEMBL482561 | {5-[6-Amino-9-(1,2,2-trimethyl-prop...)
Show SMILES CC(n1c(nc2c(N)ncnc12)-c1ccc(o1)P(O)(O)=O)C(C)(C)C
Show InChI InChI=1/C15H20N5O4P/c1-8(15(2,3)4)20-13(9-5-6-10(24-9)25(21,22)23)19-11-12(16)17-7-18-14(11)20/h5-8H,1-4H3,(H2,16,17,18)(H2,21,22,23)
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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 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))
BDBM50277972
PNG
(CHEMBL519503 | [5-(6-Amino-9-phenethyl-9H-purin-8-...)
Show SMILES Nc1ncnc2n(CCc3ccccc3)c(nc12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C17H16N5O4P/c18-15-14-17(20-10-19-15)22(9-8-11-4-2-1-3-5-11)16(21-14)12-6-7-13(26-12)27(23,24)25/h1-7,10H,8-9H2,(H2,18,19,20)(H2,23,24,25)
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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 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))
BDBM50277659
PNG
(CHEMBL483556 | {5-[2,6-Diamino-9-(2,2-dimethyl-pro...)
Show SMILES CC(C)(C)Cn1c(nc2c(N)nc(N)nc12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C14H19N6O4P/c1-14(2,3)6-20-11(7-4-5-8(24-7)25(21,22)23)17-9-10(15)18-13(16)19-12(9)20/h4-5H,6H2,1-3H3,(H2,21,22,23)(H4,15,16,18,19)
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n/an/a 5.50E+3n/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


(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


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))
BDBM50277693
PNG
(CHEMBL484592 | {5-[6-Amino-9-(2,2-dimethyl-propyl)...)
Show SMILES Cn1c(ncc1P(O)(O)=O)-c1nc2c(N)ncnc2n1CC(C)(C)C
Show InChI InChI=1S/C14H20N7O3P/c1-14(2,3)6-21-11-9(10(15)17-7-18-11)19-13(21)12-16-5-8(20(12)4)25(22,23)24/h5,7H,6H2,1-4H3,(H2,15,17,18)(H2,22,23,24)
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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))
BDBM50277661
PNG
(CHEMBL483555 | {5-[6-Amino-9-(2,2-dimethyl-propyl)...)
Show SMILES Cn1c(ccc1P(O)(O)=O)-c1nc2c(N)ncnc2n1CC(C)(C)C
Show InChI InChI=1S/C15H21N6O3P/c1-15(2,3)7-21-13(19-11-12(16)17-8-18-14(11)21)9-5-6-10(20(9)4)25(22,23)24/h5-6,8H,7H2,1-4H3,(H2,16,17,18)(H2,22,23,24)
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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))
BDBM50277566
PNG
(CHEMBL519641 | [5-(9-Adamantan-1-ylmethyl-6-amino-...)
Show SMILES Nc1ncnc2n(c(nc12)-c1ccc(o1)P(O)(O)=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C19H22N5O4P/c20-16-15-18(22-9-21-16)24(17(23-15)13-1-2-14(28-13)29(25,26)27)19-6-10-3-11(7-19)5-12(4-10)8-19/h1-2,9-12H,3-8H2,(H2,20,21,22)(H2,25,26,27)
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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 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))
BDBM50277611
PNG
(CHEMBL484135 | {5-[6-Amino-9-(3-dimethylamino-2,2-...)
Show SMILES CN(C)CC(C)(C)Cn1c(nc2c(N)ncnc12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C16H23N6O4P/c1-16(2,7-21(3)4)8-22-14(10-5-6-11(26-10)27(23,24)25)20-12-13(17)18-9-19-15(12)22/h5-6,9H,7-8H2,1-4H3,(H2,17,18,19)(H2,23,24,25)
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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 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))
BDBM50277694
PNG
(CHEMBL520998 | {5-[6-Amino-9-(2,2-dimethyl-propyl)...)
Show SMILES CC(C)(C)Cn1c(nc2c(N)ncnc12)-c1coc(c1)P(O)(O)=O
Show InChI InChI=1S/C14H18N5O4P/c1-14(2,3)6-19-12(8-4-9(23-5-8)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>1.00E+4n/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))
BDBM22579
PNG
(AICAR | Aminoimidazole-4-carboxamide ribonucleotid...)
Show SMILES NC(=O)c1ncn([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)c1N
Show InChI InChI=1S/C9H15N4O8P/c10-7-4(8(11)16)12-2-13(7)9-6(15)5(14)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,14-15H,1,10H2,(H2,11,16)(H2,17,18,19)/t3-,5-,6-,9-/m1/s1
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n/an/a 1.20E+4n/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))
BDBM50277696
PNG
(CHEMBL519692 | {5-[6-Amino-9-(2,2-dimethyl-propyl)...)
Show SMILES CC(C)(C)Cn1c(nc2c(N)ncnc12)-c1oc(c(Cl)c1Cl)P(O)(O)=O
Show InChI InChI=1S/C14H16Cl2N5O4P/c1-14(2,3)4-21-11-8(10(17)18-5-19-11)20-12(21)9-6(15)7(16)13(25-9)26(22,23)24/h5H,4H2,1-3H3,(H2,17,18,19)(H2,22,23,24)
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n/an/a 1.30E+4n/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


(Rattus norvegicus)
BDBM50277467
PNG
(5-(6-amino-9-(2-cyclohexylethyl)-9H-purin-8-yl)fur...)
Show SMILES Nc1ncnc2n(CCC3CCCCC3)c(nc12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C17H22N5O4P/c18-15-14-17(20-10-19-15)22(9-8-11-4-2-1-3-5-11)16(21-14)12-6-7-13(26-12)27(23,24)25/h6-7,10-11H,1-5,8-9H2,(H2,18,19,20)(H2,23,24,25)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver FBPase


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


(Rattus norvegicus)
BDBM50277612
PNG
(CHEMBL520490 | {5-[6-Amino-9-(3-hydroxy-2,2-dimeth...)
Show SMILES CC(C)(CO)Cn1c(nc2c(N)ncnc12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C14H18N5O5P/c1-14(2,6-20)5-19-12(8-3-4-9(24-8)25(21,22)23)18-10-11(15)16-7-17-13(10)19/h3-4,7,20H,5-6H2,1-2H3,(H2,15,16,17)(H2,21,22,23)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver FBPase


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


(Rattus norvegicus)
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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Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver FBPase


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


(Rattus norvegicus)
BDBM50277562
PNG
(CHEMBL519477 | [5-(6-Amino-9-cyclopentyl-9H-purin-...)
Show SMILES Nc1ncnc2n(C3CCCC3)c(nc12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C14H16N5O4P/c15-12-11-14(17-7-16-12)19(8-3-1-2-4-8)13(18-11)9-5-6-10(23-9)24(20,21)22/h5-8H,1-4H2,(H2,15,16,17)(H2,20,21,22)
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Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver FBPase


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))
BDBM50277971
PNG
((6-Amino-9-phenethyl-9H-purin-8-ylmethoxymethyl)-p...)
Show SMILES Nc1ncnc2n(CCc3ccccc3)c(COCP(O)(O)=O)nc12
Show InChI InChI=1S/C15H18N5O4P/c16-14-13-15(18-9-17-14)20(7-6-11-4-2-1-3-5-11)12(19-13)8-24-10-25(21,22)23/h1-5,9H,6-8,10H2,(H2,16,17,18)(H2,21,22,23)
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n/an/a 2.30E+4n/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))
BDBM50277610
PNG
(CHEMBL484331 | [5-(6-Amino-9-isobutyl-2-methanesul...)
Show SMILES CC(C)Cn1c(nc2c(N)nc(nc12)S(C)(=O)=O)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C14H18N5O6PS/c1-7(2)6-19-12(8-4-5-9(25-8)26(20,21)22)16-10-11(15)17-14(18-13(10)19)27(3,23)24/h4-5,7H,6H2,1-3H3,(H2,15,17,18)(H2,20,21,22)
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n/an/a 2.80E+4n/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))
BDBM50277927
PNG
(CHEMBL519845 | [2-(6-Amino-9-naphthalen-2-ylmethyl...)
Show SMILES Nc1ncnc2n(Cc3ccc4ccccc4c3)c(NCCP(O)(O)=O)nc12
Show InChI InChI=1S/C18H19N6O3P/c19-16-15-17(22-11-21-16)24(18(23-15)20-7-8-28(25,26)27)10-12-5-6-13-3-1-2-4-14(13)9-12/h1-6,9,11H,7-8,10H2,(H,20,23)(H2,19,21,22)(H2,25,26,27)
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n/an/a 3.50E+4n/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))
BDBM50278024
PNG
(CHEMBL482992 | Phosphoric Acid Mono-[2-(6-amino-9-...)
Show SMILES Nc1ncnc2n(CCc3ccccc3)c(CCOP(O)(O)=O)nc12
Show InChI InChI=1S/C15H18N5O4P/c16-14-13-15(18-10-17-14)20(8-6-11-4-2-1-3-5-11)12(19-13)7-9-24-25(21,22)23/h1-5,10H,6-9H2,(H2,16,17,18)(H2,21,22,23)
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n/an/a 4.00E+4n/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


(Rattus norvegicus)
BDBM50277972
PNG
(CHEMBL519503 | [5-(6-Amino-9-phenethyl-9H-purin-8-...)
Show SMILES Nc1ncnc2n(CCc3ccccc3)c(nc12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C17H16N5O4P/c18-15-14-17(20-10-19-15)22(9-8-11-4-2-1-3-5-11)16(21-14)12-6-7-13(26-12)27(23,24)25/h1-7,10H,8-9H2,(H2,18,19,20)(H2,23,24,25)
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n/an/a 4.00E+4n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver FBPase


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))
BDBM50278020
PNG
(CHEMBL485361 | [5-(6-Amino-9-phenethyl-9H-purin-8-...)
Show SMILES Nc1ncnc2n(CCc3ccccc3)c(nc12)-c1ccc(s1)P(O)(O)=O
Show InChI InChI=1S/C17H16N5O3PS/c18-15-14-17(20-10-19-15)22(9-8-11-4-2-1-3-5-11)16(21-14)12-6-7-13(27-12)26(23,24)25/h1-7,10H,8-9H2,(H2,18,19,20)(H2,23,24,25)
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n/an/a 4.80E+4n/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))
BDBM50277464
PNG
(CHEMBL515243 | [5-(6-Methylamino-9-phenethyl-9H-pu...)
Show SMILES CNc1ncnc2n(CCc3ccccc3)c(nc12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C18H18N5O4P/c1-19-16-15-18(21-11-20-16)23(10-9-12-5-3-2-4-6-12)17(22-15)13-7-8-14(27-13)28(24,25)26/h2-8,11H,9-10H2,1H3,(H,19,20,21)(H2,24,25,26)
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n/an/a 5.00E+4n/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))
BDBM50277465
PNG
(CHEMBL515436 | [5-(6-Chloro-9-phenethyl-9H-purin-8...)
Show SMILES OP(O)(=O)c1ccc(o1)-c1nc2c(Cl)ncnc2n1CCc1ccccc1
Show InChI InChI=1S/C17H14ClN4O4P/c18-15-14-17(20-10-19-15)22(9-8-11-4-2-1-3-5-11)16(21-14)12-6-7-13(26-12)27(23,24)25/h1-7,10H,8-9H2,(H2,23,24,25)
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n/an/a 5.00E+4n/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))
BDBM50277466
PNG
(CHEMBL475304 | {5-[6-Amino-9-(2,2-diphenyl-ethyl)-...)
Show SMILES Nc1ncnc2n(CC(c3ccccc3)c3ccccc3)c(nc12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C23H20N5O4P/c24-21-20-23(26-14-25-21)28(22(27-20)18-11-12-19(32-18)33(29,30)31)13-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,14,17H,13H2,(H2,24,25,26)(H2,29,30,31)
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n/an/a 7.00E+4n/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))
BDBM50277896
PNG
(CHEMBL484136 | [2-(6-Amino-9-benzyl-9H-purin-8-yla...)
Show SMILES Nc1ncnc2n(Cc3ccccc3)c(NCCP(O)(O)=O)nc12
Show InChI InChI=1S/C14H17N6O3P/c15-12-11-13(18-9-17-12)20(8-10-4-2-1-3-5-10)14(19-11)16-6-7-24(21,22)23/h1-5,9H,6-8H2,(H,16,19)(H2,15,17,18)(H2,21,22,23)
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n/an/a 9.10E+4n/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))
BDBM50277894
PNG
(2-(6-amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyl...)
Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(NCCP(O)(O)=O)nc2c(N)ncnc12
Show InChI InChI=1/C12H19N6O6P/c1-5-7(19)8(20)11(24-5)18-10-6(9(13)15-4-16-10)17-12(18)14-2-3-25(21,22)23/h4-5,7-8,11,19-20H,2-3H2,1H3,(H,14,17)(H2,13,15,16)(H2,21,22,23)/t5-,7-,8-,11-/s2
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n/an/a 1.00E+5n/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))
BDBM50277854
PNG
((E)-3-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hy...)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(\C=C\C(O)=O)nc12
Show InChI InChI=1/C13H15N5O6/c14-11-8-12(16-4-15-11)18(6(17-8)1-2-7(20)21)13-10(23)9(22)5(3-19)24-13/h1-2,4-5,9-10,13,19,22-23H,3H2,(H,20,21)(H2,14,15,16)/b2-1+/t5-,9-,10-,13-/s2
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n/an/a>1.00E+5n/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))
BDBM50277855
PNG
(3-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(CCC(O)=O)nc12
Show InChI InChI=1/C13H17N5O6/c14-11-8-12(16-4-15-11)18(6(17-8)1-2-7(20)21)13-10(23)9(22)5(3-19)24-13/h4-5,9-10,13,19,22-23H,1-3H2,(H,20,21)(H2,14,15,16)/t5-,9-,10-,13-/s2
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n/an/a>1.00E+5n/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))
BDBM50277856
PNG
(CHEMBL485130 | [6-Amino-9-((2R,3R,4S,5R)-3,4-dihyd...)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCC(O)=O)nc12
Show InChI InChI=1/C12H16N6O6/c13-9-6-10(16-3-15-9)18(12(17-6)14-1-5(20)21)11-8(23)7(22)4(2-19)24-11/h3-4,7-8,11,19,22-23H,1-2H2,(H,14,17)(H,20,21)(H2,13,15,16)/t4-,7-,8-,11-/s2
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n/an/a>1.00E+5n/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))
BDBM50277895
PNG
(2-(6-amino-9H-purin-8-ylamino)ethylphosphonic acid...)
Show SMILES Nc1ncnc2nc(NCCP(O)(O)=O)[nH]c12
Show InChI InChI=1S/C7H11N6O3P/c8-5-4-6(11-3-10-5)13-7(12-4)9-1-2-17(14,15)16/h3H,1-2H2,(H2,14,15,16)(H4,8,9,10,11,12,13)
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n/an/a>1.00E+5n/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))
BDBM50277695
PNG
(CHEMBL485144 | {1-[6-Amino-9-(2,2-dimethyl-propyl)...)
Show SMILES CC(C)(C)Cn1c(Cn2ccnc2P(O)(O)=O)nc2c(N)ncnc12
Show InChI InChI=1S/C14H20N7O3P/c1-14(2,3)7-21-9(19-10-11(15)17-8-18-12(10)21)6-20-5-4-16-13(20)25(22,23)24/h4-5,8H,6-7H2,1-3H3,(H2,15,17,18)(H2,22,23,24)
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n/an/a>1.00E+5n/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))
BDBM50278061
PNG
(5-(6-Amino-9-phenethyl-9H-purin-8-yl)-furan-2-carb...)
Show SMILES Nc1ncnc2n(CCc3ccccc3)c(nc12)-c1ccc(o1)C(O)=O
Show InChI InChI=1S/C18H15N5O3/c19-15-14-17(21-10-20-15)23(9-8-11-4-2-1-3-5-11)16(22-14)12-6-7-13(26-12)18(24)25/h1-7,10H,8-9H2,(H,24,25)(H2,19,20,21)
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n/an/a>1.00E+5n/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))
BDBM50278063
PNG
(CHEMBL484923 | Diethyl [5-(6-Amino-9-phenethyl-9H-...)
Show SMILES CCOP(O)(=O)c1ccc(o1)-c1nc2c(N)ncnc2n1CCc1ccccc1
Show InChI InChI=1/C19H20N5O4P/c1-2-27-29(25,26)15-9-8-14(28-15)18-23-16-17(20)21-12-22-19(16)24(18)11-10-13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3,(H,25,26)(H2,20,21,22)
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n/an/a>1.00E+5n/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))
BDBM50278064
PNG
(CHEMBL520176 | [5-(6-Amino-9-phenethyl-9H-purin-8-...)
Show SMILES CCOP(=O)(OCC)c1ccc(o1)-c1nc2c(N)ncnc2n1CCc1ccccc1
Show InChI InChI=1S/C21H24N5O4P/c1-3-28-31(27,29-4-2)17-11-10-16(30-17)20-25-18-19(22)23-14-24-21(18)26(20)13-12-15-8-6-5-7-9-15/h5-11,14H,3-4,12-13H2,1-2H3,(H2,22,23,24)
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n/an/a>1.00E+5n/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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