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22 similar compounds to monomer 50277972

Compile data set for download or QSAR
Wt: 413.3
BDBM50278063
Wt: 441.4
BDBM50278064
Wt: 413.3
BDBM50278065
Wt: 349.2
BDBM50277562
Wt: 309.2
BDBM50277563
Wt: 337.2
BDBM50277564
Wt: 351.2
BDBM50277565
Wt: 383.3
BDBM50277609
Wt: 394.3
BDBM50277611
Wt: 367.2
BDBM50277612
Wt: 385.7
BDBM50277613
Wt: 415.3
BDBM50277566
Wt: 321.2
BDBM50277494
Wt: 399.3
BDBM50277464
Wt: 404.7
BDBM50277465
Displayed 1 to 15 (of 22 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 50278063,50278064,50278065,50277562,50277563,50277564,50277565,50277609,50277611,50277612,50277613,50277566,50277494,50277464,50277465   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
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 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 (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 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))
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 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))
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))
BDBM50278065
PNG
(CHEMBL520489 | [5-(6-Dimethylamino-9-phenethyl-9H-...)
Show SMILES CN(C)c1ncnc2n(CCc3ccccc3)c(nc12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C19H20N5O4P/c1-23(2)18-16-19(21-12-20-18)24(11-10-13-6-4-3-5-7-13)17(22-16)14-8-9-15(28-14)29(25,26)27/h3-9,12H,10-11H2,1-2H3,(H2,25,26,27)
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n/an/a 2.50E+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))
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))
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))
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
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))
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 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))
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))
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))
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


(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


(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


(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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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)
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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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)
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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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
Adenosine kinase


(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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Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant adenosine kinase expressed in Escherichia coli


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
Adenylate kinase isoenzyme 1


(Oryctolagus cuniculus)
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>5.00E+5n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle adenylate kinase


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
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
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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Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase


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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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