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PubMed code 25461330

Compile data set for download or QSAR
Found 28 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))		BDBM50101435
PNG
(CHEMBL3393956)
Show SMILES CCc1cc([N+]([O-])=O)c2[nH]c(C(O)=O)c(CCC(O)=O)c2c1
Show InChI InChI=1S/C14H14N2O6/c1-2-7-5-9-8(3-4-11(17)18)13(14(19)20)15-12(9)10(6-7)16(21)22/h5-6,15H,2-4H2,1H3,(H,17,18)(H,19,20)
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n/an/a 100n/an/an/an/an/an/a



Chinese Academy of Medical Sciences&Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase expressed in Escherichia coli BL21(DE3) Rosetta cells assessed as reduction of NADP+ to NADPH by phosphoglucose isom...

Eur J Med Chem 90: 394-405 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.049
BindingDB Entry DOI: 10.7270/Q2CJ8G7H
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))		BDBM50101436
PNG
(CHEMBL3393955)
Show SMILES CC(C)Cc1cc([N+]([O-])=O)c2[nH]c(C(O)=O)c(CCC(O)=O)c2c1
Show InChI InChI=1S/C16H18N2O6/c1-8(2)5-9-6-11-10(3-4-13(19)20)15(16(21)22)17-14(11)12(7-9)18(23)24/h6-8,17H,3-5H2,1-2H3,(H,19,20)(H,21,22)
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n/an/a 450n/an/an/an/an/an/a



Chinese Academy of Medical Sciences&Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase expressed in Escherichia coli BL21(DE3) Rosetta cells assessed as reduction of NADP+ to NADPH by phosphoglucose isom...

Eur J Med Chem 90: 394-405 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.049
BindingDB Entry DOI: 10.7270/Q2CJ8G7H
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))		BDBM50101441
PNG
(CHEMBL3393950)
Show SMILES CC(C)Cc1ccc([N+]([O-])=O)c2[nH]c(C(O)=O)c(CCC(O)=O)c12
Show InChI InChI=1S/C16H18N2O6/c1-8(2)7-9-3-5-11(18(23)24)15-13(9)10(4-6-12(19)20)14(17-15)16(21)22/h3,5,8,17H,4,6-7H2,1-2H3,(H,19,20)(H,21,22)
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n/an/a 690n/an/an/an/an/an/a



Chinese Academy of Medical Sciences&Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase expressed in Escherichia coli BL21(DE3) Rosetta cells assessed as reduction of NADP+ to NADPH by phosphoglucose isom...

Eur J Med Chem 90: 394-405 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.049
BindingDB Entry DOI: 10.7270/Q2CJ8G7H
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))		BDBM50101440
PNG
(CHEMBL3393951)
Show SMILES OC(=O)CCc1c([nH]c2c(ccc(Nc3ccccc3)c12)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C18H15N3O6/c22-14(23)9-6-11-15-12(19-10-4-2-1-3-5-10)7-8-13(21(26)27)17(15)20-16(11)18(24)25/h1-5,7-8,19-20H,6,9H2,(H,22,23)(H,24,25)
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n/an/a 690n/an/an/an/an/an/a



Chinese Academy of Medical Sciences&Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase expressed in Escherichia coli BL21(DE3) Rosetta cells assessed as reduction of NADP+ to NADPH by phosphoglucose isom...

Eur J Med Chem 90: 394-405 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.049
BindingDB Entry DOI: 10.7270/Q2CJ8G7H
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))		BDBM50101432
PNG
(CHEMBL3393934)
Show SMILES OC(=O)CCc1c([nH]c2c(ccc(Cl)c12)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C12H9ClN2O6/c13-6-2-3-7(15(20)21)11-9(6)5(1-4-8(16)17)10(14-11)12(18)19/h2-3,14H,1,4H2,(H,16,17)(H,18,19)
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n/an/a 880n/an/an/an/an/an/a



Chinese Academy of Medical Sciences&Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase expressed in Escherichia coli BL21(DE3) Rosetta cells assessed as reduction of NADP+ to NADPH by phosphoglucose isom...

Eur J Med Chem 90: 394-405 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.049
BindingDB Entry DOI: 10.7270/Q2CJ8G7H
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))		BDBM50101447
PNG
(CHEMBL3393947)
Show SMILES OC(=O)CCc1c([nH]c2c(ccc(-c3cccc(c3)[N+]([O-])=O)c12)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C18H13N3O8/c22-14(23)7-5-12-15-11(9-2-1-3-10(8-9)20(26)27)4-6-13(21(28)29)17(15)19-16(12)18(24)25/h1-4,6,8,19H,5,7H2,(H,22,23)(H,24,25)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences&Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase expressed in Escherichia coli BL21(DE3) Rosetta cells assessed as reduction of NADP+ to NADPH by phosphoglucose isom...

Eur J Med Chem 90: 394-405 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.049
BindingDB Entry DOI: 10.7270/Q2CJ8G7H
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))		BDBM50101430
PNG
(CHEMBL3393936)
Show SMILES OC(=O)CCc1c([nH]c2c(cc(Br)cc12)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C12H9BrN2O6/c13-5-3-7-6(1-2-9(16)17)11(12(18)19)14-10(7)8(4-5)15(20)21/h3-4,14H,1-2H2,(H,16,17)(H,18,19)
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n/an/a 1.29E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences&Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase expressed in Escherichia coli BL21(DE3) Rosetta cells assessed as reduction of NADP+ to NADPH by phosphoglucose isom...

Eur J Med Chem 90: 394-405 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.049
BindingDB Entry DOI: 10.7270/Q2CJ8G7H
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))		BDBM50101439
PNG
(CHEMBL3393952)
Show SMILES COc1cccc(Nc2ccc([N+]([O-])=O)c3[nH]c(C(O)=O)c(CCC(O)=O)c23)c1
Show InChI InChI=1S/C19H17N3O7/c1-29-11-4-2-3-10(9-11)20-13-6-7-14(22(27)28)18-16(13)12(5-8-15(23)24)17(21-18)19(25)26/h2-4,6-7,9,20-21H,5,8H2,1H3,(H,23,24)(H,25,26)
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n/an/a 1.31E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences&Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase expressed in Escherichia coli BL21(DE3) Rosetta cells assessed as reduction of NADP+ to NADPH by phosphoglucose isom...

Eur J Med Chem 90: 394-405 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.049
BindingDB Entry DOI: 10.7270/Q2CJ8G7H
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))		BDBM50101421
PNG
(CHEMBL3393941)
Show SMILES OC(=O)CCc1c([nH]c2c(ccc(-c3ccccc3)c12)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C18H14N2O6/c21-14(22)9-7-12-15-11(10-4-2-1-3-5-10)6-8-13(20(25)26)17(15)19-16(12)18(23)24/h1-6,8,19H,7,9H2,(H,21,22)(H,23,24)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences&Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase expressed in Escherichia coli BL21(DE3) Rosetta cells assessed as reduction of NADP+ to NADPH by phosphoglucose isom...

Eur J Med Chem 90: 394-405 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.049
BindingDB Entry DOI: 10.7270/Q2CJ8G7H
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))		BDBM50101434
PNG
(CHEMBL3393957)
Show SMILES OC(=O)CCc1c([nH]c2c(cc(Nc3ccccc3)cc12)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C18H15N3O6/c22-15(23)7-6-12-13-8-11(19-10-4-2-1-3-5-10)9-14(21(26)27)16(13)20-17(12)18(24)25/h1-5,8-9,19-20H,6-7H2,(H,22,23)(H,24,25)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences&Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase expressed in Escherichia coli BL21(DE3) Rosetta cells assessed as reduction of NADP+ to NADPH by phosphoglucose isom...

Eur J Med Chem 90: 394-405 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.049
BindingDB Entry DOI: 10.7270/Q2CJ8G7H
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))		BDBM50101438
PNG
(CHEMBL3393953)
Show SMILES COc1ccc(Nc2ccc([N+]([O-])=O)c3[nH]c(C(O)=O)c(CCC(O)=O)c23)cc1
Show InChI InChI=1S/C19H17N3O7/c1-29-11-4-2-10(3-5-11)20-13-7-8-14(22(27)28)18-16(13)12(6-9-15(23)24)17(21-18)19(25)26/h2-5,7-8,20-21H,6,9H2,1H3,(H,23,24)(H,25,26)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences&Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase expressed in Escherichia coli BL21(DE3) Rosetta cells assessed as reduction of NADP+ to NADPH by phosphoglucose isom...

Eur J Med Chem 90: 394-405 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.049
BindingDB Entry DOI: 10.7270/Q2CJ8G7H
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))		BDBM50101448
PNG
(CHEMBL3393946)
Show SMILES COc1ccc(cc1)-c1ccc([N+]([O-])=O)c2[nH]c(C(O)=O)c(CCC(O)=O)c12
Show InChI InChI=1S/C19H16N2O7/c1-28-11-4-2-10(3-5-11)12-6-8-14(21(26)27)18-16(12)13(7-9-15(22)23)17(20-18)19(24)25/h2-6,8,20H,7,9H2,1H3,(H,22,23)(H,24,25)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences&Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase expressed in Escherichia coli BL21(DE3) Rosetta cells assessed as reduction of NADP+ to NADPH by phosphoglucose isom...

Eur J Med Chem 90: 394-405 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.049
BindingDB Entry DOI: 10.7270/Q2CJ8G7H
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))		BDBM50004952
PNG
(3-(2-Carboxy-ethyl)-4,6-dichloro-1H-indole-2-carbo...)
Show SMILES OC(=O)CCc1c([nH]c2cc(Cl)cc(Cl)c12)C(O)=O
Show InChI InChI=1S/C12H9Cl2NO4/c13-5-3-7(14)10-6(1-2-9(16)17)11(12(18)19)15-8(10)4-5/h3-4,15H,1-2H2,(H,16,17)(H,18,19)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences&Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase expressed in Escherichia coli BL21(DE3) Rosetta cells assessed as reduction of NADP+ to NADPH by phosphoglucose isom...

Eur J Med Chem 90: 394-405 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.049
BindingDB Entry DOI: 10.7270/Q2CJ8G7H
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))		BDBM50101443
PNG
(CHEMBL3393948)
Show SMILES OC(=O)CCc1c([nH]c2c(ccc(-c3ccc(cc3)[N+]([O-])=O)c12)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C18H13N3O8/c22-14(23)8-6-12-15-11(9-1-3-10(4-2-9)20(26)27)5-7-13(21(28)29)17(15)19-16(12)18(24)25/h1-5,7,19H,6,8H2,(H,22,23)(H,24,25)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences&Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase expressed in Escherichia coli BL21(DE3) Rosetta cells assessed as reduction of NADP+ to NADPH by phosphoglucose isom...

Eur J Med Chem 90: 394-405 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.049
BindingDB Entry DOI: 10.7270/Q2CJ8G7H
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))		BDBM50101431
PNG
(CHEMBL3393935)
Show SMILES OC(=O)CCc1c([nH]c2c(cc(Cl)cc12)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C12H9ClN2O6/c13-5-3-7-6(1-2-9(16)17)11(12(18)19)14-10(7)8(4-5)15(20)21/h3-4,14H,1-2H2,(H,16,17)(H,18,19)
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n/an/a 2.07E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences&Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase expressed in Escherichia coli BL21(DE3) Rosetta cells assessed as reduction of NADP+ to NADPH by phosphoglucose isom...

Eur J Med Chem 90: 394-405 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.049
BindingDB Entry DOI: 10.7270/Q2CJ8G7H
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))		BDBM50101406
PNG
(CHEMBL3393944)
Show SMILES OC(=O)CCc1c([nH]c2c(ccc(-c3ccc(F)cc3)c12)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C18H13FN2O6/c19-10-3-1-9(2-4-10)11-5-7-13(21(26)27)17-15(11)12(6-8-14(22)23)16(20-17)18(24)25/h1-5,7,20H,6,8H2,(H,22,23)(H,24,25)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences&Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase expressed in Escherichia coli BL21(DE3) Rosetta cells assessed as reduction of NADP+ to NADPH by phosphoglucose isom...

Eur J Med Chem 90: 394-405 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.049
BindingDB Entry DOI: 10.7270/Q2CJ8G7H
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))		BDBM50101409
PNG
(CHEMBL3393942)
Show SMILES OC(=O)CCc1c([nH]c2c(ccc(-c3ccccc3F)c12)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C18H13FN2O6/c19-12-4-2-1-3-9(12)10-5-7-13(21(26)27)17-15(10)11(6-8-14(22)23)16(20-17)18(24)25/h1-5,7,20H,6,8H2,(H,22,23)(H,24,25)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences&Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase expressed in Escherichia coli BL21(DE3) Rosetta cells assessed as reduction of NADP+ to NADPH by phosphoglucose isom...

Eur J Med Chem 90: 394-405 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.049
BindingDB Entry DOI: 10.7270/Q2CJ8G7H
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))		BDBM50101442
PNG
(CHEMBL3393949)
Show SMILES CCc1ccc([N+]([O-])=O)c2[nH]c(C(O)=O)c(CCC(O)=O)c12
Show InChI InChI=1S/C14H14N2O6/c1-2-7-3-5-9(16(21)22)13-11(7)8(4-6-10(17)18)12(15-13)14(19)20/h3,5,15H,2,4,6H2,1H3,(H,17,18)(H,19,20)
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n/an/a 2.76E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences&Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase expressed in Escherichia coli BL21(DE3) Rosetta cells assessed as reduction of NADP+ to NADPH by phosphoglucose isom...

Eur J Med Chem 90: 394-405 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.049
BindingDB Entry DOI: 10.7270/Q2CJ8G7H
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))		BDBM18137
PNG
(AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...)
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 3.20E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences&Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase expressed in Escherichia coli BL21(DE3) Rosetta cells assessed as reduction of NADP+ to NADPH by phosphoglucose isom...

Eur J Med Chem 90: 394-405 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.049
BindingDB Entry DOI: 10.7270/Q2CJ8G7H
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))		BDBM50101433
PNG
(CHEMBL3393933)
Show SMILES OC(=O)CCc1c([nH]c2c(cccc12)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C12H10N2O6/c15-9(16)5-4-7-6-2-1-3-8(14(19)20)10(6)13-11(7)12(17)18/h1-3,13H,4-5H2,(H,15,16)(H,17,18)
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n/an/a 5.17E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences&Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase expressed in Escherichia coli BL21(DE3) Rosetta cells assessed as reduction of NADP+ to NADPH by phosphoglucose isom...

Eur J Med Chem 90: 394-405 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.049
BindingDB Entry DOI: 10.7270/Q2CJ8G7H
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))		BDBM50101449
PNG
(CHEMBL3393945)
Show SMILES COc1cccc(c1)-c1ccc([N+]([O-])=O)c2[nH]c(C(O)=O)c(CCC(O)=O)c12
Show InChI InChI=1S/C19H16N2O7/c1-28-11-4-2-3-10(9-11)12-5-7-14(21(26)27)18-16(12)13(6-8-15(22)23)17(20-18)19(24)25/h2-5,7,9,20H,6,8H2,1H3,(H,22,23)(H,24,25)
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n/an/a 5.22E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences&Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase expressed in Escherichia coli BL21(DE3) Rosetta cells assessed as reduction of NADP+ to NADPH by phosphoglucose isom...

Eur J Med Chem 90: 394-405 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.049
BindingDB Entry DOI: 10.7270/Q2CJ8G7H
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))		BDBM50101408
PNG
(CHEMBL3393943)
Show SMILES OC(=O)CCc1c([nH]c2c(ccc(-c3cccc(F)c3)c12)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C18H13FN2O6/c19-10-3-1-2-9(8-10)11-4-6-13(21(26)27)17-15(11)12(5-7-14(22)23)16(20-17)18(24)25/h1-4,6,8,20H,5,7H2,(H,22,23)(H,24,25)
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n/an/a 5.27E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences&Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase expressed in Escherichia coli BL21(DE3) Rosetta cells assessed as reduction of NADP+ to NADPH by phosphoglucose isom...

Eur J Med Chem 90: 394-405 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.049
BindingDB Entry DOI: 10.7270/Q2CJ8G7H
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))		BDBM50101437
PNG
(CHEMBL3393954)
Show SMILES OC(=O)CCc1c([nH]c2c(cc(cc12)-c1ccccc1)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C18H14N2O6/c21-15(22)7-6-12-13-8-11(10-4-2-1-3-5-10)9-14(20(25)26)16(13)19-17(12)18(23)24/h1-5,8-9,19H,6-7H2,(H,21,22)(H,23,24)
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n/an/a 6.43E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences&Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase expressed in Escherichia coli BL21(DE3) Rosetta cells assessed as reduction of NADP+ to NADPH by phosphoglucose isom...

Eur J Med Chem 90: 394-405 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.049
BindingDB Entry DOI: 10.7270/Q2CJ8G7H
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))		BDBM50101426
PNG
(CHEMBL3393938)
Show SMILES Nc1cccc2c(CCC(O)=O)c([nH]c12)C(O)=O
Show InChI InChI=1S/C12H12N2O4/c13-8-3-1-2-6-7(4-5-9(15)16)11(12(17)18)14-10(6)8/h1-3,14H,4-5,13H2,(H,15,16)(H,17,18)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chinese Academy of Medical Sciences&Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase expressed in Escherichia coli BL21(DE3) Rosetta cells assessed as reduction of NADP+ to NADPH by phosphoglucose isom...

Eur J Med Chem 90: 394-405 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.049
BindingDB Entry DOI: 10.7270/Q2CJ8G7H
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))		BDBM50364917
PNG
(CHEMBL1950316)
Show SMILES OC(=O)CCc1c([nH]c2ccc(cc12)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C12H10N2O6/c15-10(16)4-2-7-8-5-6(14(19)20)1-3-9(8)13-11(7)12(17)18/h1,3,5,13H,2,4H2,(H,15,16)(H,17,18)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chinese Academy of Medical Sciences&Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase expressed in Escherichia coli BL21(DE3) Rosetta cells assessed as reduction of NADP+ to NADPH by phosphoglucose isom...

Eur J Med Chem 90: 394-405 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.049
BindingDB Entry DOI: 10.7270/Q2CJ8G7H
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))		BDBM50101428
PNG
(CHEMBL3393937)
Show SMILES CCOC(=O)c1[nH]c2c(cccc2c1CCC(O)=O)[N+]([O-])=O
Show InChI InChI=1S/C14H14N2O6/c1-2-22-14(19)13-9(6-7-11(17)18)8-4-3-5-10(16(20)21)12(8)15-13/h3-5,15H,2,6-7H2,1H3,(H,17,18)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chinese Academy of Medical Sciences&Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase expressed in Escherichia coli BL21(DE3) Rosetta cells assessed as reduction of NADP+ to NADPH by phosphoglucose isom...

Eur J Med Chem 90: 394-405 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.049
BindingDB Entry DOI: 10.7270/Q2CJ8G7H
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))		BDBM50101424
PNG
(CHEMBL3393940)
Show SMILES OC(=O)CCc1c(C(O)=O)n(Cc2ccccc2)c2c(cccc12)[N+]([O-])=O
Show InChI InChI=1S/C19H16N2O6/c22-16(23)10-9-14-13-7-4-8-15(21(26)27)17(13)20(18(14)19(24)25)11-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,22,23)(H,24,25)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chinese Academy of Medical Sciences&Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase expressed in Escherichia coli BL21(DE3) Rosetta cells assessed as reduction of NADP+ to NADPH by phosphoglucose isom...

Eur J Med Chem 90: 394-405 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.049
BindingDB Entry DOI: 10.7270/Q2CJ8G7H
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))		BDBM50101425
PNG
(CHEMBL3393939)
Show SMILES OC(=O)CCc1c(C(O)=O)n(CC2CC2)c2c(cccc12)[N+]([O-])=O
Show InChI InChI=1S/C16H16N2O6/c19-13(20)7-6-11-10-2-1-3-12(18(23)24)14(10)17(8-9-4-5-9)15(11)16(21)22/h1-3,9H,4-8H2,(H,19,20)(H,21,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chinese Academy of Medical Sciences&Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase expressed in Escherichia coli BL21(DE3) Rosetta cells assessed as reduction of NADP+ to NADPH by phosphoglucose isom...

Eur J Med Chem 90: 394-405 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.049
BindingDB Entry DOI: 10.7270/Q2CJ8G7H
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%