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PubMed code 16446092

Compile data set for download or QSAR
Found 41 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 (FBPase)


(Homo sapiens (Human))
BDBM50181324
PNG
(CHEMBL205792 | N-(7-(3-aminophenyl)-5-methoxybenzo...)
Show SMILES COc1cc(-c2cccc(N)c2)c2oc(NS(=O)(=O)c3cc(Cl)ccc3Cl)nc2c1
Show InChI InChI=1S/C20H15Cl2N3O4S/c1-28-14-9-15(11-3-2-4-13(23)7-11)19-17(10-14)24-20(29-19)25-30(26,27)18-8-12(21)5-6-16(18)22/h2-10H,23H2,1H3,(H,24,25)
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n/an/a 570n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FBPase1


Bioorg Med Chem Lett 16: 1807-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.014
BindingDB Entry DOI: 10.7270/Q2J965ZK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50181342
PNG
(CHEMBL205712 | N-(7-(4-aminophenyl)-5-methoxybenzo...)
Show SMILES COc1cc(-c2ccc(N)cc2)c2oc(NS(=O)(=O)c3cc(Cl)ccc3Cl)nc2c1
Show InChI InChI=1S/C20H15Cl2N3O4S/c1-28-14-9-15(11-2-5-13(23)6-3-11)19-17(10-14)24-20(29-19)25-30(26,27)18-8-12(21)4-7-16(18)22/h2-10H,23H2,1H3,(H,24,25)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FBPase1


Bioorg Med Chem Lett 16: 1807-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.014
BindingDB Entry DOI: 10.7270/Q2J965ZK
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50181349
PNG
(3-chloro-N-(5-chlorobenzo[d]oxazol-2-yl)benzenesul...)
Show SMILES Clc1cccc(c1)S(=O)(=O)Nc1nc2cc(Cl)ccc2o1
Show InChI InChI=1S/C13H8Cl2N2O3S/c14-8-2-1-3-10(6-8)21(18,19)17-13-16-11-7-9(15)4-5-12(11)20-13/h1-7H,(H,16,17)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FBPase1


Bioorg Med Chem Lett 16: 1807-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.014
BindingDB Entry DOI: 10.7270/Q2J965ZK
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50181332
PNG
(2,5-dichloro-N-(7-(3-hydroxyphenyl)-5-methoxybenzo...)
Show SMILES COc1cc(-c2cccc(O)c2)c2oc(NS(=O)(=O)c3cc(Cl)ccc3Cl)nc2c1
Show InChI InChI=1S/C20H14Cl2N2O5S/c1-28-14-9-15(11-3-2-4-13(25)7-11)19-17(10-14)23-20(29-19)24-30(26,27)18-8-12(21)5-6-16(18)22/h2-10,25H,1H3,(H,23,24)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FBPase1


Bioorg Med Chem Lett 16: 1807-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.014
BindingDB Entry DOI: 10.7270/Q2J965ZK
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50181343
PNG
(CHEMBL207984 | N-(5-chlorobenzo[d]oxazol-2-yl)-3-n...)
Show SMILES [O-][N+](=O)c1cccc(c1)S(=O)(=O)Nc1nc2cc(Cl)ccc2o1
Show InChI InChI=1S/C13H8ClN3O5S/c14-8-4-5-12-11(6-8)15-13(22-12)16-23(20,21)10-3-1-2-9(7-10)17(18)19/h1-7H,(H,15,16)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FBPase1


Bioorg Med Chem Lett 16: 1807-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.014
BindingDB Entry DOI: 10.7270/Q2J965ZK
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50181355
PNG
(2,5-dichloro-N-(7-(4-hydroxyphenyl)-5-methoxybenzo...)
Show SMILES COc1cc(-c2ccc(O)cc2)c2oc(NS(=O)(=O)c3cc(Cl)ccc3Cl)nc2c1
Show InChI InChI=1S/C20H14Cl2N2O5S/c1-28-14-9-15(11-2-5-13(25)6-3-11)19-17(10-14)23-20(29-19)24-30(26,27)18-8-12(21)4-7-16(18)22/h2-10,25H,1H3,(H,23,24)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FBPase1


Bioorg Med Chem Lett 16: 1807-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.014
BindingDB Entry DOI: 10.7270/Q2J965ZK
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50181330
PNG
(CHEMBL203011 | N-(5-bromobenzo[d]oxazol-2-yl)-2,5-...)
Show SMILES Clc1ccc(Cl)c(c1)S(=O)(=O)Nc1nc2cc(Br)ccc2o1
Show InChI InChI=1S/C13H7BrCl2N2O3S/c14-7-1-4-11-10(5-7)17-13(21-11)18-22(19,20)12-6-8(15)2-3-9(12)16/h1-6H,(H,17,18)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FBPase1


Bioorg Med Chem Lett 16: 1807-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.014
BindingDB Entry DOI: 10.7270/Q2J965ZK
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50181327
PNG
(CHEMBL381594 | N-(5-chlorobenzo[d]oxazol-2-yl)naph...)
Show SMILES Clc1ccc2oc(NS(=O)(=O)c3ccc4ccccc4c3)nc2c1
Show InChI InChI=1S/C17H11ClN2O3S/c18-13-6-8-16-15(10-13)19-17(23-16)20-24(21,22)14-7-5-11-3-1-2-4-12(11)9-14/h1-10H,(H,19,20)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FBPase1


Bioorg Med Chem Lett 16: 1807-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.014
BindingDB Entry DOI: 10.7270/Q2J965ZK
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50181345
PNG
(CHEMBL382008 | N-(7-(3-(aminomethyl)phenyl)-5-meth...)
Show SMILES COc1cc(-c2cccc(CN)c2)c2oc(NS(=O)(=O)c3cc(Cl)ccc3Cl)nc2c1
Show InChI InChI=1S/C21H17Cl2N3O4S/c1-29-15-9-16(13-4-2-3-12(7-13)11-24)20-18(10-15)25-21(30-20)26-31(27,28)19-8-14(22)5-6-17(19)23/h2-10H,11,24H2,1H3,(H,25,26)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FBPase1


Bioorg Med Chem Lett 16: 1807-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.014
BindingDB Entry DOI: 10.7270/Q2J965ZK
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50181339
PNG
(CHEMBL381567 | N-(5-chlorobenzo[d]oxazol-2-yl)-4-f...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1nc2cc(Cl)ccc2o1
Show InChI InChI=1S/C13H8ClFN2O3S/c14-8-1-6-12-11(7-8)16-13(20-12)17-21(18,19)10-4-2-9(15)3-5-10/h1-7H,(H,16,17)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FBPase1


Bioorg Med Chem Lett 16: 1807-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.014
BindingDB Entry DOI: 10.7270/Q2J965ZK
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50181323
PNG
(2,5-DICHLORO-N-(5-CHLORO-1,3-BENZOXAZOL-2-YL)BENZE...)
Show SMILES Clc1ccc(Cl)c(c1)S(=O)(=O)Nc1nc2cc(Cl)ccc2o1
Show InChI InChI=1S/C13H7Cl3N2O3S/c14-7-2-4-11-10(5-7)17-13(21-11)18-22(19,20)12-6-8(15)1-3-9(12)16/h1-6H,(H,17,18)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FBPase1


Bioorg Med Chem Lett 16: 1807-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.014
BindingDB Entry DOI: 10.7270/Q2J965ZK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50181336
PNG
(CHEMBL206012 | N-(5-chlorobenzo[d]oxazol-2-yl)anth...)
Show SMILES Clc1ccc2oc(NS(=O)(=O)c3ccc4cc5ccccc5cc4c3)nc2c1
Show InChI InChI=1S/C21H13ClN2O3S/c22-17-6-8-20-19(12-17)23-21(27-20)24-28(25,26)18-7-5-15-9-13-3-1-2-4-14(13)10-16(15)11-18/h1-12H,(H,23,24)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FBPase1


Bioorg Med Chem Lett 16: 1807-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.014
BindingDB Entry DOI: 10.7270/Q2J965ZK
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50181337
PNG
(2,5-dichloro-N-(5-methoxy-7-(4-methoxypyridin-3-yl...)
Show SMILES COc1cc(-c2cnccc2OC)c2oc(NS(=O)(=O)c3cc(Cl)ccc3Cl)nc2c1
Show InChI InChI=1S/C20H15Cl2N3O5S/c1-28-12-8-13(14-10-23-6-5-17(14)29-2)19-16(9-12)24-20(30-19)25-31(26,27)18-7-11(21)3-4-15(18)22/h3-10H,1-2H3,(H,24,25)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FBPase1


Bioorg Med Chem Lett 16: 1807-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.014
BindingDB Entry DOI: 10.7270/Q2J965ZK
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50181326
PNG
(CHEMBL203073 | biphenyl-2-sulfonic acid (5-chloro-...)
Show SMILES Clc1ccc2oc(NS(=O)(=O)c3ccccc3-c3ccccc3)nc2c1
Show InChI InChI=1S/C19H13ClN2O3S/c20-14-10-11-17-16(12-14)21-19(25-17)22-26(23,24)18-9-5-4-8-15(18)13-6-2-1-3-7-13/h1-12H,(H,21,22)
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n/an/a 3.80E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FBPase1


Bioorg Med Chem Lett 16: 1807-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.014
BindingDB Entry DOI: 10.7270/Q2J965ZK
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50181346
PNG
(CHEMBL203397 | biphenyl-4-sulfonic acid (5-chloro-...)
Show SMILES Clc1ccc2oc(NS(=O)(=O)c3ccc(cc3)-c3ccccc3)nc2c1
Show InChI InChI=1S/C19H13ClN2O3S/c20-15-8-11-18-17(12-15)21-19(25-18)22-26(23,24)16-9-6-14(7-10-16)13-4-2-1-3-5-13/h1-12H,(H,21,22)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FBPase1


Bioorg Med Chem Lett 16: 1807-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.014
BindingDB Entry DOI: 10.7270/Q2J965ZK
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50181360
PNG
(2,5-dichloro-N-(5-(furan-3-yl)benzo[d]oxazol-2-yl)...)
Show SMILES Clc1ccc(Cl)c(c1)S(=O)(=O)Nc1nc2cc(ccc2o1)-c1ccoc1
Show InChI InChI=1S/C17H10Cl2N2O4S/c18-12-2-3-13(19)16(8-12)26(22,23)21-17-20-14-7-10(1-4-15(14)25-17)11-5-6-24-9-11/h1-9H,(H,20,21)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FBPase1


Bioorg Med Chem Lett 16: 1807-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.014
BindingDB Entry DOI: 10.7270/Q2J965ZK
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50181334
PNG
(CHEMBL381827 | N-(5-chlorobenzo[d]oxazol-2-yl)-2-c...)
Show SMILES Clc1ccc2oc(NS(=O)(=O)c3ccccc3C#N)nc2c1
Show InChI InChI=1S/C14H8ClN3O3S/c15-10-5-6-12-11(7-10)17-14(21-12)18-22(19,20)13-4-2-1-3-9(13)8-16/h1-7H,(H,17,18)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FBPase1


Bioorg Med Chem Lett 16: 1807-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.014
BindingDB Entry DOI: 10.7270/Q2J965ZK
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50181325
PNG
(CHEMBL204842 | N-(5-chlorobenzo[d]oxazol-2-yl)-4-m...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1nc2cc(Cl)ccc2o1
Show InChI InChI=1S/C14H11ClN2O3S/c1-9-2-5-11(6-3-9)21(18,19)17-14-16-12-8-10(15)4-7-13(12)20-14/h2-8H,1H3,(H,16,17)
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n/an/a 6.20E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FBPase1


Bioorg Med Chem Lett 16: 1807-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.014
BindingDB Entry DOI: 10.7270/Q2J965ZK
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50181352
PNG
(2,5-dichloro-N-(5-methylbenzo[d]oxazol-2-yl)benzen...)
Show SMILES Cc1ccc2oc(NS(=O)(=O)c3cc(Cl)ccc3Cl)nc2c1
Show InChI InChI=1S/C14H10Cl2N2O3S/c1-8-2-5-12-11(6-8)17-14(21-12)18-22(19,20)13-7-9(15)3-4-10(13)16/h2-7H,1H3,(H,17,18)
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n/an/a 6.40E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FBPase1


Bioorg Med Chem Lett 16: 1807-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.014
BindingDB Entry DOI: 10.7270/Q2J965ZK
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50181335
PNG
(2-bromo-N-(5-chlorobenzo[d]oxazol-2-yl)benzenesulf...)
Show SMILES Clc1ccc2oc(NS(=O)(=O)c3ccccc3Br)nc2c1
Show InChI InChI=1S/C13H8BrClN2O3S/c14-9-3-1-2-4-12(9)21(18,19)17-13-16-10-7-8(15)5-6-11(10)20-13/h1-7H,(H,16,17)
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n/an/a 6.50E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FBPase1


Bioorg Med Chem Lett 16: 1807-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.014
BindingDB Entry DOI: 10.7270/Q2J965ZK
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50181321
PNG
(CHEMBL381082 | N-(5-chlorobenzo[d]oxazol-2-yl)-4-(...)
Show SMILES Clc1ccc2oc(NS(=O)(=O)c3ccc(cc3)-c3ccoc3)nc2c1
Show InChI InChI=1S/C17H11ClN2O4S/c18-13-3-6-16-15(9-13)19-17(24-16)20-25(21,22)14-4-1-11(2-5-14)12-7-8-23-10-12/h1-10H,(H,19,20)
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n/an/a 6.70E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FBPase1


Bioorg Med Chem Lett 16: 1807-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.014
BindingDB Entry DOI: 10.7270/Q2J965ZK
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50181328
PNG
(CHEMBL207096 | N-(5-chlorobenzo[d]oxazol-2-yl)benz...)
Show SMILES Clc1ccc2oc(NS(=O)(=O)c3ccccc3)nc2c1
Show InChI InChI=1S/C13H9ClN2O3S/c14-9-6-7-12-11(8-9)15-13(19-12)16-20(17,18)10-4-2-1-3-5-10/h1-8H,(H,15,16)
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n/an/a 7.70E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FBPase1


Bioorg Med Chem Lett 16: 1807-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.014
BindingDB Entry DOI: 10.7270/Q2J965ZK
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50181322
PNG
(CHEMBL205184 | N-(5-chlorobenzo[d]oxazol-2-yl)-4-(...)
Show SMILES FC(F)(F)Oc1ccc(cc1)S(=O)(=O)Nc1nc2cc(Cl)ccc2o1
Show InChI InChI=1S/C14H8ClF3N2O4S/c15-8-1-6-12-11(7-8)19-13(23-12)20-25(21,22)10-4-2-9(3-5-10)24-14(16,17)18/h1-7H,(H,19,20)
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n/an/a 7.80E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FBPase1


Bioorg Med Chem Lett 16: 1807-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.014
BindingDB Entry DOI: 10.7270/Q2J965ZK
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50181351
PNG
(2,5-dichloro-N-(6-methoxybenzo[d]oxazol-2-yl)benze...)
Show SMILES COc1ccc2nc(NS(=O)(=O)c3cc(Cl)ccc3Cl)oc2c1
Show InChI InChI=1S/C14H10Cl2N2O4S/c1-21-9-3-5-11-12(7-9)22-14(17-11)18-23(19,20)13-6-8(15)2-4-10(13)16/h2-7H,1H3,(H,17,18)
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n/an/a 8.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FBPase1


Bioorg Med Chem Lett 16: 1807-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.014
BindingDB Entry DOI: 10.7270/Q2J965ZK
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50181347
PNG
(2,5-dichloro-N-(6-chlorobenzo[d]oxazol-2-yl)benzen...)
Show SMILES Clc1ccc(Cl)c(c1)S(=O)(=O)Nc1nc2ccc(Cl)cc2o1
Show InChI InChI=1S/C13H7Cl3N2O3S/c14-7-2-4-10-11(5-7)21-13(17-10)18-22(19,20)12-6-8(15)1-3-9(12)16/h1-6H,(H,17,18)
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n/an/a 8.10E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FBPase1


Bioorg Med Chem Lett 16: 1807-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.014
BindingDB Entry DOI: 10.7270/Q2J965ZK
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50181329
PNG
(CHEMBL381803 | N-(5-chlorobenzo[d]oxazol-2-yl)-1-m...)
Show SMILES Cn1cnc(c1)S(=O)(=O)Nc1nc2cc(Cl)ccc2o1
Show InChI InChI=1S/C11H9ClN4O3S/c1-16-5-10(13-6-16)20(17,18)15-11-14-8-4-7(12)2-3-9(8)19-11/h2-6H,1H3,(H,14,15)
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n/an/a 9.40E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FBPase1


Bioorg Med Chem Lett 16: 1807-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.014
BindingDB Entry DOI: 10.7270/Q2J965ZK
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50181341
PNG
(CHEMBL203398 | biphenyl-3-sulfonic acid (5-chloro-...)
Show SMILES Clc1ccc2oc(NS(=O)(=O)c3cccc(c3)-c3ccccc3)nc2c1
Show InChI InChI=1S/C19H13ClN2O3S/c20-15-9-10-18-17(12-15)21-19(25-18)22-26(23,24)16-8-4-7-14(11-16)13-5-2-1-3-6-13/h1-12H,(H,21,22)
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n/an/a 9.80E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FBPase1


Bioorg Med Chem Lett 16: 1807-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.014
BindingDB Entry DOI: 10.7270/Q2J965ZK
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50181358
PNG
(2,5-dichloro-N-(6-methylbenzo[d]oxazol-2-yl)benzen...)
Show SMILES Cc1ccc2nc(NS(=O)(=O)c3cc(Cl)ccc3Cl)oc2c1
Show InChI InChI=1S/C14H10Cl2N2O3S/c1-8-2-5-11-12(6-8)21-14(17-11)18-22(19,20)13-7-9(15)3-4-10(13)16/h2-7H,1H3,(H,17,18)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FBPase1


Bioorg Med Chem Lett 16: 1807-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.014
BindingDB Entry DOI: 10.7270/Q2J965ZK
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50181333
PNG
(CHEMBL205624 | N-[4-(5-chloro-benzooxazol-2-ylsulf...)
Show SMILES CCCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nc2cc(Cl)ccc2o1
Show InChI InChI=1S/C17H16ClN3O4S/c1-2-3-16(22)19-12-5-7-13(8-6-12)26(23,24)21-17-20-14-10-11(18)4-9-15(14)25-17/h4-10H,2-3H2,1H3,(H,19,22)(H,20,21)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FBPase1


Bioorg Med Chem Lett 16: 1807-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.014
BindingDB Entry DOI: 10.7270/Q2J965ZK
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50181344
PNG
(CHEMBL380326 | N-(5-chlorobenzo[d]oxazol-2-yl)thio...)
Show SMILES Clc1ccc2oc(NS(=O)(=O)c3cccs3)nc2c1
Show InChI InChI=1S/C11H7ClN2O3S2/c12-7-3-4-9-8(6-7)13-11(17-9)14-19(15,16)10-2-1-5-18-10/h1-6H,(H,13,14)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FBPase1


Bioorg Med Chem Lett 16: 1807-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.014
BindingDB Entry DOI: 10.7270/Q2J965ZK
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50181357
PNG
(CHEMBL207851 | N-(5-chlorobenzo[d]oxazol-2-yl)-2-(...)
Show SMILES Clc1ccc2oc(NS(=O)(=O)c3ccccc3-n3ccnc3)nc2c1
Show InChI InChI=1S/C16H11ClN4O3S/c17-11-5-6-14-12(9-11)19-16(24-14)20-25(22,23)15-4-2-1-3-13(15)21-8-7-18-10-21/h1-10H,(H,19,20)
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n/an/a 2.30E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FBPase1


Bioorg Med Chem Lett 16: 1807-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.014
BindingDB Entry DOI: 10.7270/Q2J965ZK
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50181340
PNG
(4-tert-butyl-N-(5-chlorobenzo[d]oxazol-2-yl)benzen...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1nc2cc(Cl)ccc2o1
Show InChI InChI=1S/C17H17ClN2O3S/c1-17(2,3)11-4-7-13(8-5-11)24(21,22)20-16-19-14-10-12(18)6-9-15(14)23-16/h4-10H,1-3H3,(H,19,20)
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n/an/a 2.40E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FBPase1


Bioorg Med Chem Lett 16: 1807-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.014
BindingDB Entry DOI: 10.7270/Q2J965ZK
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50181356
PNG
(CHEMBL381757 | N-(5-tert-butylbenzo[d]oxazol-2-yl)...)
Show SMILES CC(C)(C)c1ccc2oc(NS(=O)(=O)c3cc(Cl)ccc3Cl)nc2c1
Show InChI InChI=1S/C17H16Cl2N2O3S/c1-17(2,3)10-4-7-14-13(8-10)20-16(24-14)21-25(22,23)15-9-11(18)5-6-12(15)19/h4-9H,1-3H3,(H,20,21)
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n/an/a 3.20E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FBPase1


Bioorg Med Chem Lett 16: 1807-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.014
BindingDB Entry DOI: 10.7270/Q2J965ZK
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50181331
PNG
(2-chloro-N-(5-chlorobenzo[d]oxazol-2-yl)-6-methylb...)
Show SMILES Cc1cccc(Cl)c1S(=O)(=O)Nc1nc2cc(Cl)ccc2o1
Show InChI InChI=1S/C14H10Cl2N2O3S/c1-8-3-2-4-10(16)13(8)22(19,20)18-14-17-11-7-9(15)5-6-12(11)21-14/h2-7H,1H3,(H,17,18)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FBPase1


Bioorg Med Chem Lett 16: 1807-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.014
BindingDB Entry DOI: 10.7270/Q2J965ZK
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50181350
PNG
(CHEMBL205392 | N-(5-chlorobenzo[d]oxazol-2-yl)meth...)
Show SMILES CS(=O)(=O)Nc1nc2cc(Cl)ccc2o1
Show InChI InChI=1S/C8H7ClN2O3S/c1-15(12,13)11-8-10-6-4-5(9)2-3-7(6)14-8/h2-4H,1H3,(H,10,11)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FBPase1


Bioorg Med Chem Lett 16: 1807-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.014
BindingDB Entry DOI: 10.7270/Q2J965ZK
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50181338
PNG
(3-(4-tert-butylbenzyloxy)-N-(5-chlorobenzo[d]oxazo...)
Show SMILES CC(C)(C)c1ccc(COc2cccc(c2)S(=O)(=O)Nc2nc3cc(Cl)ccc3o2)cc1
Show InChI InChI=1S/C24H23ClN2O4S/c1-24(2,3)17-9-7-16(8-10-17)15-30-19-5-4-6-20(14-19)32(28,29)27-23-26-21-13-18(25)11-12-22(21)31-23/h4-14H,15H2,1-3H3,(H,26,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FBPase1


Bioorg Med Chem Lett 16: 1807-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.014
BindingDB Entry DOI: 10.7270/Q2J965ZK
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50181354
PNG
(CHEMBL205376 | N-(5-chlorobenzo[d]oxazol-2-yl)buta...)
Show SMILES CCCCS(=O)(=O)Nc1nc2cc(Cl)ccc2o1
Show InChI InChI=1S/C11H13ClN2O3S/c1-2-3-6-18(15,16)14-11-13-9-7-8(12)4-5-10(9)17-11/h4-5,7H,2-3,6H2,1H3,(H,13,14)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FBPase1


Bioorg Med Chem Lett 16: 1807-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.014
BindingDB Entry DOI: 10.7270/Q2J965ZK
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50181348
PNG
(2,6-dichloro-N-(5-chlorobenzo[d]oxazol-2-yl)benzen...)
Show SMILES Clc1ccc2oc(NS(=O)(=O)c3c(Cl)cccc3Cl)nc2c1
Show InChI InChI=1S/C13H7Cl3N2O3S/c14-7-4-5-11-10(6-7)17-13(21-11)18-22(19,20)12-8(15)2-1-3-9(12)16/h1-6H,(H,17,18)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FBPase1


Bioorg Med Chem Lett 16: 1807-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.014
BindingDB Entry DOI: 10.7270/Q2J965ZK
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50181353
PNG
(2,5-dichloro-N-(4-(1,2-dihydropyridin-4-yl)benzo[d...)
Show SMILES Clc1ccc(Cl)c(c1)S(=O)(=O)Nc1nc2c(cccc2o1)C1=CC=NCC1
Show InChI InChI=1S/C18H13Cl2N3O3S/c19-12-4-5-14(20)16(10-12)27(24,25)23-18-22-17-13(2-1-3-15(17)26-18)11-6-8-21-9-7-11/h1-6,8,10H,7,9H2,(H,22,23)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FBPase1


Bioorg Med Chem Lett 16: 1807-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.014
BindingDB Entry DOI: 10.7270/Q2J965ZK
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50181361
PNG
(2,5-dichloro-N-(4-iodobenzo[d]oxazol-2-yl)benzenes...)
Show SMILES Clc1ccc(Cl)c(c1)S(=O)(=O)Nc1nc2c(I)cccc2o1
Show InChI InChI=1S/C13H7Cl2IN2O3S/c14-7-4-5-8(15)11(6-7)22(19,20)18-13-17-12-9(16)2-1-3-10(12)21-13/h1-6H,(H,17,18)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FBPase1


Bioorg Med Chem Lett 16: 1807-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.014
BindingDB Entry DOI: 10.7270/Q2J965ZK
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50181359
PNG
(2,5-dichloro-N-(4-methylbenzo[d]oxazol-2-yl)benzen...)
Show SMILES Cc1cccc2oc(NS(=O)(=O)c3cc(Cl)ccc3Cl)nc12
Show InChI InChI=1S/C14H10Cl2N2O3S/c1-8-3-2-4-11-13(8)17-14(21-11)18-22(19,20)12-7-9(15)5-6-10(12)16/h2-7H,1H3,(H,17,18)
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n/an/a 5.50E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FBPase1


Bioorg Med Chem Lett 16: 1807-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.014
BindingDB Entry DOI: 10.7270/Q2J965ZK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%