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Compile Data Set for Download or QSAR

Found 65 hits with Last Name = 'kohler' and Initial = 'p'   
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))
BDBM50273103
PNG
(3-[(3-methylbenzene)sulfonyl]-1-({4-[({[(3-methylb...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NC(=O)NCc1ccc(CNC(=O)NS(=O)(=O)c2cccc(C)c2)cc1
Show InChI InChI=1S/C24H26N4O6S2/c1-17-5-3-7-21(13-17)35(31,32)27-23(29)25-15-19-9-11-20(12-10-19)16-26-24(30)28-36(33,34)22-8-4-6-18(2)14-22/h3-14H,15-16H2,1-2H3,(H2,25,27,29)(H2,26,28,30)
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n/an/a 2n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase in presence of fructose-2,6-bisphosphate


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50273103
PNG
(3-[(3-methylbenzene)sulfonyl]-1-({4-[({[(3-methylb...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NC(=O)NCc1ccc(CNC(=O)NS(=O)(=O)c2cccc(C)c2)cc1
Show InChI InChI=1S/C24H26N4O6S2/c1-17-5-3-7-21(13-17)35(31,32)27-23(29)25-15-19-9-11-20(12-10-19)16-26-24(30)28-36(33,34)22-8-4-6-18(2)14-22/h3-14H,15-16H2,1-2H3,(H2,25,27,29)(H2,26,28,30)
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n/an/a 3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50273102
PNG
(3-[(3-chlorobenzene)sulfonyl]-1-({4-[({[(3-chlorob...)
Show SMILES Clc1cccc(c1)S(=O)(=O)NC(=O)NCc1ccc(CNC(=O)NS(=O)(=O)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C22H20Cl2N4O6S2/c23-17-3-1-5-19(11-17)35(31,32)27-21(29)25-13-15-7-9-16(10-8-15)14-26-22(30)28-36(33,34)20-6-2-4-18(24)12-20/h1-12H,13-14H2,(H2,25,27,29)(H2,26,28,30)
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n/an/a 4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase in presence of fructose-2,6-bisphosphate


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50272993
PNG
(1-[(3-chlorobenzene)sulfonyl]-3-[7-({[(3-chloroben...)
Show SMILES Clc1cccc(c1)S(=O)(=O)NC(=O)NCCCCCCCNC(=O)NS(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C21H26Cl2N4O6S2/c22-16-8-6-10-18(14-16)34(30,31)26-20(28)24-12-4-2-1-3-5-13-25-21(29)27-35(32,33)19-11-7-9-17(23)15-19/h6-11,14-15H,1-5,12-13H2,(H2,24,26,28)(H2,25,27,29)
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n/an/a 4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase in presence of fructose-2,6-bisphosphate


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50272994
PNG
(1-[(3-methylbenzene)sulfonyl]-3-[7-({[(3-methylben...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NC(=O)NCCCCCCCNC(=O)NS(=O)(=O)c1cccc(C)c1
Show InChI InChI=1S/C23H32N4O6S2/c1-18-10-8-12-20(16-18)34(30,31)26-22(28)24-14-6-4-3-5-7-15-25-23(29)27-35(32,33)21-13-9-11-19(2)17-21/h8-13,16-17H,3-7,14-15H2,1-2H3,(H2,24,26,28)(H2,25,27,29)
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n/an/a 5n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase in presence of fructose-2,6-bisphosphate


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50273102
PNG
(3-[(3-chlorobenzene)sulfonyl]-1-({4-[({[(3-chlorob...)
Show SMILES Clc1cccc(c1)S(=O)(=O)NC(=O)NCc1ccc(CNC(=O)NS(=O)(=O)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C22H20Cl2N4O6S2/c23-17-3-1-5-19(11-17)35(31,32)27-21(29)25-13-15-7-9-16(10-8-15)14-26-22(30)28-36(33,34)20-6-2-4-18(24)12-20/h1-12H,13-14H2,(H2,25,27,29)(H2,26,28,30)
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n/an/a 6n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50273104
PNG
(3-[(3-methylbenzene)sulfonyl]-1-({3-[({[(3-methylb...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NC(=O)NCc1cccc(CNC(=O)NS(=O)(=O)c2cccc(C)c2)c1
Show InChI InChI=1S/C24H26N4O6S2/c1-17-6-3-10-21(12-17)35(31,32)27-23(29)25-15-19-8-5-9-20(14-19)16-26-24(30)28-36(33,34)22-11-4-7-18(2)13-22/h3-14H,15-16H2,1-2H3,(H2,25,27,29)(H2,26,28,30)
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n/an/a 6n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase in presence of fructose-2,6-bisphosphate


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50273035
PNG
(3-[(3-methylbenzene)sulfonyl]-1-[8-({[(3-methylben...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NC(=O)NCCCCCCCCNC(=O)NS(=O)(=O)c1cccc(C)c1
Show InChI InChI=1S/C24H34N4O6S2/c1-19-11-9-13-21(17-19)35(31,32)27-23(29)25-15-7-5-3-4-6-8-16-26-24(30)28-36(33,34)22-14-10-12-20(2)18-22/h9-14,17-18H,3-8,15-16H2,1-2H3,(H2,25,27,29)(H2,26,28,30)
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n/an/a 8n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase in presence of fructose-2,6-bisphosphate


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50272991
PNG
(1-[(3-chlorobenzene)sulfonyl]-3-[6-({[(3-chloroben...)
Show SMILES Clc1cccc(c1)S(=O)(=O)NC(=O)NCCCCCCNC(=O)NS(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H24Cl2N4O6S2/c21-15-7-5-9-17(13-15)33(29,30)25-19(27)23-11-3-1-2-4-12-24-20(28)26-34(31,32)18-10-6-8-16(22)14-18/h5-10,13-14H,1-4,11-12H2,(H2,23,25,27)(H2,24,26,28)
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n/an/a 8n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase in presence of fructose-2,6-bisphosphate


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50272993
PNG
(1-[(3-chlorobenzene)sulfonyl]-3-[7-({[(3-chloroben...)
Show SMILES Clc1cccc(c1)S(=O)(=O)NC(=O)NCCCCCCCNC(=O)NS(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C21H26Cl2N4O6S2/c22-16-8-6-10-18(14-16)34(30,31)26-20(28)24-12-4-2-1-3-5-13-25-21(29)27-35(32,33)19-11-7-9-17(23)15-19/h6-11,14-15H,1-5,12-13H2,(H2,24,26,28)(H2,25,27,29)
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n/an/a 9n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50273193
PNG
(1-[(3-chlorobenzene)sulfonyl]-3-(2-{[2-({[(3-chlor...)
Show SMILES Clc1cccc(c1)S(=O)(=O)NC(=O)NCCSSCCNC(=O)NS(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C18H20Cl2N4O6S4/c19-13-3-1-5-15(11-13)33(27,28)23-17(25)21-7-9-31-32-10-8-22-18(26)24-34(29,30)16-6-2-4-14(20)12-16/h1-6,11-12H,7-10H2,(H2,21,23,25)(H2,22,24,26)
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n/an/a 10n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase in presence of fructose-2,6-bisphosphate


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50272992
PNG
(1-[(3-methylbenzene)sulfonyl]-3-[6-({[(3-methylben...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NC(=O)NCCCCCCNC(=O)NS(=O)(=O)c1cccc(C)c1
Show InChI InChI=1S/C22H30N4O6S2/c1-17-9-7-11-19(15-17)33(29,30)25-21(27)23-13-5-3-4-6-14-24-22(28)26-34(31,32)20-12-8-10-18(2)16-20/h7-12,15-16H,3-6,13-14H2,1-2H3,(H2,23,25,27)(H2,24,26,28)
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n/an/a 12n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase in presence of fructose-2,6-bisphosphate


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50273194
PNG
(1-[(3-methylbenzene)sulfonyl]-3-(2-{[2-({[(3-methy...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NC(=O)NCCSSCCNC(=O)NS(=O)(=O)c1cccc(C)c1
Show InChI InChI=1S/C20H26N4O6S4/c1-15-5-3-7-17(13-15)33(27,28)23-19(25)21-9-11-31-32-12-10-22-20(26)24-34(29,30)18-8-4-6-16(2)14-18/h3-8,13-14H,9-12H2,1-2H3,(H2,21,23,25)(H2,22,24,26)
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n/an/a 12n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase in presence of fructose-2,6-bisphosphate


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50273104
PNG
(3-[(3-methylbenzene)sulfonyl]-1-({3-[({[(3-methylb...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NC(=O)NCc1cccc(CNC(=O)NS(=O)(=O)c2cccc(C)c2)c1
Show InChI InChI=1S/C24H26N4O6S2/c1-17-6-3-10-21(12-17)35(31,32)27-23(29)25-15-19-8-5-9-20(14-19)16-26-24(30)28-36(33,34)22-11-4-7-18(2)13-22/h3-14H,15-16H2,1-2H3,(H2,25,27,29)(H2,26,28,30)
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n/an/a 12n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50273070
PNG
(3-[(3-methylbenzene)sulfonyl]-1-[6-({[(3-methylben...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NC(=O)NCCC#CCCNC(=O)NS(=O)(=O)c1cccc(C)c1
Show InChI InChI=1S/C22H26N4O6S2/c1-17-9-7-11-19(15-17)33(29,30)25-21(27)23-13-5-3-4-6-14-24-22(28)26-34(31,32)20-12-8-10-18(2)16-20/h7-12,15-16H,5-6,13-14H2,1-2H3,(H2,23,25,27)(H2,24,26,28)
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n/an/a 12n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase in presence of fructose-2,6-bisphosphate


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50272994
PNG
(1-[(3-methylbenzene)sulfonyl]-3-[7-({[(3-methylben...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NC(=O)NCCCCCCCNC(=O)NS(=O)(=O)c1cccc(C)c1
Show InChI InChI=1S/C23H32N4O6S2/c1-18-10-8-12-20(16-18)34(30,31)26-22(28)24-14-6-4-3-5-7-15-25-23(29)27-35(32,33)21-13-9-11-19(2)17-21/h8-13,16-17H,3-7,14-15H2,1-2H3,(H2,24,26,28)(H2,25,27,29)
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n/an/a 12n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50273036
PNG
(1-[(3-chlorobenzene)sulfonyl]-3-[(3E)-6-({[(3-chlo...)
Show SMILES Clc1cccc(c1)S(=O)(=O)NC(=O)NCC\C=C\CCNC(=O)NS(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H22Cl2N4O6S2/c21-15-7-5-9-17(13-15)33(29,30)25-19(27)23-11-3-1-2-4-12-24-20(28)26-34(31,32)18-10-6-8-16(22)14-18/h1-2,5-10,13-14H,3-4,11-12H2,(H2,23,25,27)(H2,24,26,28)/b2-1+
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n/an/a 14n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase in presence of fructose-2,6-bisphosphate


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50273071
PNG
(3-[(3-chlorobenzene)sulfonyl]-1-({4-[({[(3-chlorob...)
Show SMILES Clc1cccc(c1)S(=O)(=O)NC(=O)NC[C@H]1CC[C@H](CNC(=O)NS(=O)(=O)c2cccc(Cl)c2)CC1 |r,wU:15.15,wD:18.19,(14.53,-7.16,;12.99,-7.19,;12.19,-5.87,;10.64,-5.9,;9.9,-7.24,;10.7,-8.56,;12.25,-8.54,;9.95,-9.91,;11.3,-10.66,;9.2,-11.25,;8.6,-9.16,;7.27,-9.95,;7.3,-11.5,;5.93,-9.21,;4.6,-10,;3.25,-9.25,;1.93,-10.03,;.59,-9.28,;.57,-7.75,;-.77,-7,;-2.09,-7.79,;-3.44,-7.03,;-3.47,-5.49,;-4.76,-7.83,;-6.11,-7.08,;-7.46,-6.34,;-5.36,-5.73,;-6.85,-8.43,;-6.07,-9.74,;-6.81,-11.09,;-8.36,-11.13,;-9.15,-9.8,;-10.69,-9.82,;-8.4,-8.45,;1.89,-6.95,;3.23,-7.71,)|
Show InChI InChI=1S/C22H26Cl2N4O6S2/c23-17-3-1-5-19(11-17)35(31,32)27-21(29)25-13-15-7-9-16(10-8-15)14-26-22(30)28-36(33,34)20-6-2-4-18(24)12-20/h1-6,11-12,15-16H,7-10,13-14H2,(H2,25,27,29)(H2,26,28,30)/t15-,16-
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n/an/a 16n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase in presence of fructose-2,6-bisphosphate


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50273034
PNG
(3-[(3-chlorobenzene)sulfonyl]-1-[8-({[(3-chloroben...)
Show SMILES Clc1cccc(c1)S(=O)(=O)NC(=O)NCCCCCCCCNC(=O)NS(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C22H28Cl2N4O6S2/c23-17-9-7-11-19(15-17)35(31,32)27-21(29)25-13-5-3-1-2-4-6-14-26-22(30)28-36(33,34)20-12-8-10-18(24)16-20/h7-12,15-16H,1-6,13-14H2,(H2,25,27,29)(H2,26,28,30)
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n/an/a 17n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase in presence of fructose-2,6-bisphosphate


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50272991
PNG
(1-[(3-chlorobenzene)sulfonyl]-3-[6-({[(3-chloroben...)
Show SMILES Clc1cccc(c1)S(=O)(=O)NC(=O)NCCCCCCNC(=O)NS(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H24Cl2N4O6S2/c21-15-7-5-9-17(13-15)33(29,30)25-19(27)23-11-3-1-2-4-12-24-20(28)26-34(31,32)18-10-6-8-16(22)14-18/h5-10,13-14H,1-4,11-12H2,(H2,23,25,27)(H2,24,26,28)
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n/an/a 17n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50273139
PNG
(1-[(3-methylbenzene)sulfonyl]-3-(2-{[2-({[(3-methy...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NC(=O)NCCSCCNC(=O)NS(=O)(=O)c1cccc(C)c1
Show InChI InChI=1S/C20H26N4O6S3/c1-15-5-3-7-17(13-15)32(27,28)23-19(25)21-9-11-31-12-10-22-20(26)24-33(29,30)18-8-4-6-16(2)14-18/h3-8,13-14H,9-12H2,1-2H3,(H2,21,23,25)(H2,22,24,26)
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n/an/a 18n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase in presence of fructose-2,6-bisphosphate


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50272913
PNG
(1-[(3-chlorobenzene)sulfonyl]-3-[5-({[(3-chloroben...)
Show SMILES Clc1cccc(c1)S(=O)(=O)NC(=O)NCCCCCNC(=O)NS(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H22Cl2N4O6S2/c20-14-6-4-8-16(12-14)32(28,29)24-18(26)22-10-2-1-3-11-23-19(27)25-33(30,31)17-9-5-7-15(21)13-17/h4-9,12-13H,1-3,10-11H2,(H2,22,24,26)(H2,23,25,27)
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n/an/a 19n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase in presence of fructose-2,6-bisphosphate


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50272914
PNG
(1-[(3-methylbenzene)sulfonyl]-3-[5-({[(3-methylben...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NC(=O)NCCCCCNC(=O)NS(=O)(=O)c1cccc(C)c1
Show InChI InChI=1S/C21H28N4O6S2/c1-16-8-6-10-18(14-16)32(28,29)24-20(26)22-12-4-3-5-13-23-21(27)25-33(30,31)19-11-7-9-17(2)15-19/h6-11,14-15H,3-5,12-13H2,1-2H3,(H2,22,24,26)(H2,23,25,27)
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n/an/a 22n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase in presence of fructose-2,6-bisphosphate


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50272992
PNG
(1-[(3-methylbenzene)sulfonyl]-3-[6-({[(3-methylben...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NC(=O)NCCCCCCNC(=O)NS(=O)(=O)c1cccc(C)c1
Show InChI InChI=1S/C22H30N4O6S2/c1-17-9-7-11-19(15-17)33(29,30)25-21(27)23-13-5-3-4-6-14-24-22(28)26-34(31,32)20-12-8-10-18(2)16-20/h7-12,15-16H,3-6,13-14H2,1-2H3,(H2,23,25,27)(H2,24,26,28)
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n/an/a 24n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50273071
PNG
(3-[(3-chlorobenzene)sulfonyl]-1-({4-[({[(3-chlorob...)
Show SMILES Clc1cccc(c1)S(=O)(=O)NC(=O)NC[C@H]1CC[C@H](CNC(=O)NS(=O)(=O)c2cccc(Cl)c2)CC1 |r,wU:15.15,wD:18.19,(14.53,-7.16,;12.99,-7.19,;12.19,-5.87,;10.64,-5.9,;9.9,-7.24,;10.7,-8.56,;12.25,-8.54,;9.95,-9.91,;11.3,-10.66,;9.2,-11.25,;8.6,-9.16,;7.27,-9.95,;7.3,-11.5,;5.93,-9.21,;4.6,-10,;3.25,-9.25,;1.93,-10.03,;.59,-9.28,;.57,-7.75,;-.77,-7,;-2.09,-7.79,;-3.44,-7.03,;-3.47,-5.49,;-4.76,-7.83,;-6.11,-7.08,;-7.46,-6.34,;-5.36,-5.73,;-6.85,-8.43,;-6.07,-9.74,;-6.81,-11.09,;-8.36,-11.13,;-9.15,-9.8,;-10.69,-9.82,;-8.4,-8.45,;1.89,-6.95,;3.23,-7.71,)|
Show InChI InChI=1S/C22H26Cl2N4O6S2/c23-17-3-1-5-19(11-17)35(31,32)27-21(29)25-13-15-7-9-16(10-8-15)14-26-22(30)28-36(33,34)20-6-2-4-18(24)12-20/h1-6,11-12,15-16H,7-10,13-14H2,(H2,25,27,29)(H2,26,28,30)/t15-,16-
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n/an/a 28n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50273037
PNG
(1-[(3-methylbenzene)sulfonyl]-3-[(3E)-6-({[(3-meth...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NC(=O)NCC\C=C\CCNC(=O)NS(=O)(=O)c1cccc(C)c1
Show InChI InChI=1S/C22H28N4O6S2/c1-17-9-7-11-19(15-17)33(29,30)25-21(27)23-13-5-3-4-6-14-24-22(28)26-34(31,32)20-12-8-10-18(2)16-20/h3-4,7-12,15-16H,5-6,13-14H2,1-2H3,(H2,23,25,27)(H2,24,26,28)/b4-3+
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n/an/a 28n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase in presence of fructose-2,6-bisphosphate


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50273194
PNG
(1-[(3-methylbenzene)sulfonyl]-3-(2-{[2-({[(3-methy...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NC(=O)NCCSSCCNC(=O)NS(=O)(=O)c1cccc(C)c1
Show InChI InChI=1S/C20H26N4O6S4/c1-15-5-3-7-17(13-15)33(27,28)23-19(25)21-9-11-31-32-12-10-22-20(26)24-34(29,30)18-8-4-6-16(2)14-18/h3-8,13-14H,9-12H2,1-2H3,(H2,21,23,25)(H2,22,24,26)
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n/an/a 29n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50273035
PNG
(3-[(3-methylbenzene)sulfonyl]-1-[8-({[(3-methylben...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NC(=O)NCCCCCCCCNC(=O)NS(=O)(=O)c1cccc(C)c1
Show InChI InChI=1S/C24H34N4O6S2/c1-19-11-9-13-21(17-19)35(31,32)27-23(29)25-15-7-5-3-4-6-8-16-26-24(30)28-36(33,34)22-14-10-12-20(2)18-22/h9-14,17-18H,3-8,15-16H2,1-2H3,(H2,25,27,29)(H2,26,28,30)
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n/an/a 35n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50273036
PNG
(1-[(3-chlorobenzene)sulfonyl]-3-[(3E)-6-({[(3-chlo...)
Show SMILES Clc1cccc(c1)S(=O)(=O)NC(=O)NCC\C=C\CCNC(=O)NS(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H22Cl2N4O6S2/c21-15-7-5-9-17(13-15)33(29,30)25-19(27)23-11-3-1-2-4-12-24-20(28)26-34(31,32)18-10-6-8-16(22)14-18/h1-2,5-10,13-14H,3-4,11-12H2,(H2,23,25,27)(H2,24,26,28)/b2-1+
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n/an/a 40n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50273034
PNG
(3-[(3-chlorobenzene)sulfonyl]-1-[8-({[(3-chloroben...)
Show SMILES Clc1cccc(c1)S(=O)(=O)NC(=O)NCCCCCCCCNC(=O)NS(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C22H28Cl2N4O6S2/c23-17-9-7-11-19(15-17)35(31,32)27-21(29)25-13-5-3-1-2-4-6-14-26-22(30)28-36(33,34)20-12-8-10-18(24)16-20/h7-12,15-16H,1-6,13-14H2,(H2,25,27,29)(H2,26,28,30)
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n/an/a 45n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50272913
PNG
(1-[(3-chlorobenzene)sulfonyl]-3-[5-({[(3-chloroben...)
Show SMILES Clc1cccc(c1)S(=O)(=O)NC(=O)NCCCCCNC(=O)NS(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H22Cl2N4O6S2/c20-14-6-4-8-16(12-14)32(28,29)24-18(26)22-10-2-1-3-11-23-19(27)25-33(30,31)17-9-5-7-15(21)13-17/h4-9,12-13H,1-3,10-11H2,(H2,22,24,26)(H2,23,25,27)
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n/an/a 50n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50273193
PNG
(1-[(3-chlorobenzene)sulfonyl]-3-(2-{[2-({[(3-chlor...)
Show SMILES Clc1cccc(c1)S(=O)(=O)NC(=O)NCCSSCCNC(=O)NS(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C18H20Cl2N4O6S4/c19-13-3-1-5-15(11-13)33(27,28)23-17(25)21-7-9-31-32-10-8-22-18(26)24-34(29,30)16-6-2-4-14(20)12-16/h1-6,11-12H,7-10H2,(H2,21,23,25)(H2,22,24,26)
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n/an/a 55n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50273235
PNG
(1-[(3-chlorobenzene)sulfonyl]-3-{3-[3-({[(3-chloro...)
Show SMILES Clc1cccc(c1)S(=O)(=O)NC(=O)NCCCOCCCNC(=O)NS(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H24Cl2N4O7S2/c21-15-5-1-7-17(13-15)34(29,30)25-19(27)23-9-3-11-33-12-4-10-24-20(28)26-35(31,32)18-8-2-6-16(22)14-18/h1-2,5-8,13-14H,3-4,9-12H2,(H2,23,25,27)(H2,24,26,28)
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n/an/a 57n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase in presence of fructose-2,6-bisphosphate


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50273037
PNG
(1-[(3-methylbenzene)sulfonyl]-3-[(3E)-6-({[(3-meth...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NC(=O)NCC\C=C\CCNC(=O)NS(=O)(=O)c1cccc(C)c1
Show InChI InChI=1S/C22H28N4O6S2/c1-17-9-7-11-19(15-17)33(29,30)25-21(27)23-13-5-3-4-6-14-24-22(28)26-34(31,32)20-12-8-10-18(2)16-20/h3-4,7-12,15-16H,5-6,13-14H2,1-2H3,(H2,23,25,27)(H2,24,26,28)/b4-3+
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n/an/a 68n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50273139
PNG
(1-[(3-methylbenzene)sulfonyl]-3-(2-{[2-({[(3-methy...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NC(=O)NCCSCCNC(=O)NS(=O)(=O)c1cccc(C)c1
Show InChI InChI=1S/C20H26N4O6S3/c1-15-5-3-7-17(13-15)32(27,28)23-19(25)21-9-11-31-12-10-22-20(26)24-33(29,30)18-8-4-6-16(2)14-18/h3-8,13-14H,9-12H2,1-2H3,(H2,21,23,25)(H2,22,24,26)
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n/an/a 70n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50272914
PNG
(1-[(3-methylbenzene)sulfonyl]-3-[5-({[(3-methylben...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NC(=O)NCCCCCNC(=O)NS(=O)(=O)c1cccc(C)c1
Show InChI InChI=1S/C21H28N4O6S2/c1-16-8-6-10-18(14-16)32(28,29)24-20(26)22-12-4-3-5-13-23-21(27)25-33(30,31)19-11-7-9-17(2)15-19/h6-11,14-15H,3-5,12-13H2,1-2H3,(H2,22,24,26)(H2,23,25,27)
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n/an/a 72n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50273070
PNG
(3-[(3-methylbenzene)sulfonyl]-1-[6-({[(3-methylben...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NC(=O)NCCC#CCCNC(=O)NS(=O)(=O)c1cccc(C)c1
Show InChI InChI=1S/C22H26N4O6S2/c1-17-9-7-11-19(15-17)33(29,30)25-21(27)23-13-5-3-4-6-14-24-22(28)26-34(31,32)20-12-8-10-18(2)16-20/h7-12,15-16H,5-6,13-14H2,1-2H3,(H2,23,25,27)(H2,24,26,28)
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n/an/a 95n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50273235
PNG
(1-[(3-chlorobenzene)sulfonyl]-3-{3-[3-({[(3-chloro...)
Show SMILES Clc1cccc(c1)S(=O)(=O)NC(=O)NCCCOCCCNC(=O)NS(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H24Cl2N4O7S2/c21-15-5-1-7-17(13-15)34(29,30)25-19(27)23-9-3-11-33-12-4-10-24-20(28)26-35(31,32)18-8-2-6-16(22)14-18/h1-2,5-8,13-14H,3-4,9-12H2,(H2,23,25,27)(H2,24,26,28)
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n/an/a 125n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50273140
PNG
(1-[(3-methylbenzene)sulfonyl]-3-{2-[2-({[(3-methyl...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NC(=O)NCCOCCNC(=O)NS(=O)(=O)c1cccc(C)c1
Show InChI InChI=1S/C20H26N4O7S2/c1-15-5-3-7-17(13-15)32(27,28)23-19(25)21-9-11-31-12-10-22-20(26)24-33(29,30)18-8-4-6-16(2)14-18/h3-8,13-14H,9-12H2,1-2H3,(H2,21,23,25)(H2,22,24,26)
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n/an/a 151n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase in presence of fructose-2,6-bisphosphate


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50272911
PNG
(1-[(3-chlorobenzene)sulfonyl]-3-[4-({[(3-chloroben...)
Show SMILES Clc1cccc(c1)S(=O)(=O)NC(=O)NCCCCNC(=O)NS(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C18H20Cl2N4O6S2/c19-13-5-3-7-15(11-13)31(27,28)23-17(25)21-9-1-2-10-22-18(26)24-32(29,30)16-8-4-6-14(20)12-16/h3-8,11-12H,1-2,9-10H2,(H2,21,23,25)(H2,22,24,26)
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n/an/a 264n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase in presence of fructose-2,6-bisphosphate


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50272912
PNG
(1-[(3-methylbenzene)sulfonyl]-3-[4-({[(3-methylben...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NC(=O)NCCCCNC(=O)NS(=O)(=O)c1cccc(C)c1
Show InChI InChI=1S/C20H26N4O6S2/c1-15-7-5-9-17(13-15)31(27,28)23-19(25)21-11-3-4-12-22-20(26)24-32(29,30)18-10-6-8-16(2)14-18/h5-10,13-14H,3-4,11-12H2,1-2H3,(H2,21,23,25)(H2,22,24,26)
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n/an/a 542n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase in presence of fructose-2,6-bisphosphate


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50273140
PNG
(1-[(3-methylbenzene)sulfonyl]-3-{2-[2-({[(3-methyl...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NC(=O)NCCOCCNC(=O)NS(=O)(=O)c1cccc(C)c1
Show InChI InChI=1S/C20H26N4O7S2/c1-15-5-3-7-17(13-15)32(27,28)23-19(25)21-9-11-31-12-10-22-20(26)24-33(29,30)18-8-4-6-16(2)14-18/h3-8,13-14H,9-12H2,1-2H3,(H2,21,23,25)(H2,22,24,26)
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n/an/a 827n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50272611
PNG
(1-(4-aminophenylsulfonyl)-3-(2-mercaptoethyl)urea ...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)NC(=O)NCCS
Show InChI InChI=1S/C9H13N3O3S2/c10-7-1-3-8(4-2-7)17(14,15)12-9(13)11-5-6-16/h1-4,16H,5-6,10H2,(H2,11,12,13)
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n/an/a 1.60E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50272911
PNG
(1-[(3-chlorobenzene)sulfonyl]-3-[4-({[(3-chloroben...)
Show SMILES Clc1cccc(c1)S(=O)(=O)NC(=O)NCCCCNC(=O)NS(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C18H20Cl2N4O6S2/c19-13-5-3-7-15(11-13)31(27,28)23-17(25)21-9-1-2-10-22-18(26)24-32(29,30)16-8-4-6-14(20)12-16/h3-8,11-12H,1-2,9-10H2,(H2,21,23,25)(H2,22,24,26)
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n/an/a 2.76E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50272912
PNG
(1-[(3-methylbenzene)sulfonyl]-3-[4-({[(3-methylben...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NC(=O)NCCCCNC(=O)NS(=O)(=O)c1cccc(C)c1
Show InChI InChI=1S/C20H26N4O6S2/c1-15-7-5-9-17(13-15)31(27,28)23-19(25)21-11-3-4-12-22-20(26)24-32(29,30)18-10-6-8-16(2)14-18/h5-10,13-14H,3-4,11-12H2,1-2H3,(H2,21,23,25)(H2,22,24,26)
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n/an/a 3.40E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50273274
PNG
(1-(2-mercaptoethyl)-3-(m-tolylsulfonyl)urea | CHEM...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NC(=O)NCCS
Show InChI InChI=1S/C10H14N2O3S2/c1-8-3-2-4-9(7-8)17(14,15)12-10(13)11-5-6-16/h2-4,7,16H,5-6H2,1H3,(H2,11,12,13)
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n/an/a 1.06E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase in presence of fructose-2,6-bisphosphate


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50273236
PNG
(1-[(3-chlorobenzene)sulfonyl]-3-(3-{[3-({[(3-chlor...)
Show SMILES Clc1cccc(c1)S(=O)(=O)NC(=O)NCCCNCCCNC(=O)NS(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H25Cl2N5O6S2/c21-15-5-1-7-17(13-15)34(30,31)26-19(28)24-11-3-9-23-10-4-12-25-20(29)27-35(32,33)18-8-2-6-16(22)14-18/h1-2,5-8,13-14,23H,3-4,9-12H2,(H2,24,26,28)(H2,25,27,29)
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n/an/a 1.37E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase in presence of fructose-2,6-bisphosphate


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50273274
PNG
(1-(2-mercaptoethyl)-3-(m-tolylsulfonyl)urea | CHEM...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NC(=O)NCCS
Show InChI InChI=1S/C10H14N2O3S2/c1-8-3-2-4-9(7-8)17(14,15)12-10(13)11-5-6-16/h2-4,7,16H,5-6H2,1H3,(H2,11,12,13)
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n/an/a 2.05E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50272869
PNG
(3-[(3-methylbenzene)sulfonyl]-1-[3-({[(3-methylben...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NC(=O)NCCCNC(=O)NS(=O)(=O)c1cccc(C)c1
Show InChI InChI=1S/C19H24N4O6S2/c1-14-6-3-8-16(12-14)30(26,27)22-18(24)20-10-5-11-21-19(25)23-31(28,29)17-9-4-7-15(2)13-17/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H2,20,22,24)(H2,21,23,25)
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n/an/a 3.85E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase in presence of fructose-2,6-bisphosphate


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50273236
PNG
(1-[(3-chlorobenzene)sulfonyl]-3-(3-{[3-({[(3-chlor...)
Show SMILES Clc1cccc(c1)S(=O)(=O)NC(=O)NCCCNCCCNC(=O)NS(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H25Cl2N5O6S2/c21-15-5-1-7-17(13-15)34(30,31)26-19(28)24-11-3-9-23-10-4-12-25-20(29)27-35(32,33)18-8-2-6-16(22)14-18/h1-2,5-8,13-14,23H,3-4,9-12H2,(H2,24,26,28)(H2,25,27,29)
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n/an/a 4.38E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
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