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Compile Data Set for Download or QSAR

Found 59 hits Enz. Inhib. hit(s) with all data for entry = 7548   
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
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM200906
PNG
(US9233946, 5)
Show SMILES CC(C)c1ccc2sc(c(C)c2c1)S(=O)(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C19H19NO4S2/c1-11(2)13-7-8-17-16(10-13)12(3)19(25-17)26(23,24)20-15-6-4-5-14(9-15)18(21)22/h4-11,20H,1-3H3,(H,21,22)
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n/an/a 30n/an/an/an/an/an/a



KANCERA AB

US Patent


Assay Description
Method A: The kinase activity of the bi-functional enzyme is readily quantified based on the production of F-2,6-P2 as described by Van Schaftingen e...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 4 (PFKFB4)


(Homo sapiens (Human))
BDBM200906
PNG
(US9233946, 5)
Show SMILES CC(C)c1ccc2sc(c(C)c2c1)S(=O)(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C19H19NO4S2/c1-11(2)13-7-8-17-16(10-13)12(3)19(25-17)26(23,24)20-15-6-4-5-14(9-15)18(21)22/h4-11,20H,1-3H3,(H,21,22)
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KANCERA AB

US Patent


Assay Description
Method B: The kinase activity of the bi-functional enzyme is readily quantified based on the production of ADP and F-2,6-P2 from ATP and F6P. The ADP...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM200914
PNG
(US9233946, 13)
Show SMILES CC(C)c1ccc2oc(c(C)c2c1)S(=O)(=O)Nc1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C19H19N5O3S/c1-11(2)13-7-8-17-16(10-13)12(3)19(27-17)28(25,26)22-15-6-4-5-14(9-15)18-20-23-24-21-18/h4-11,22H,1-3H3,(H,20,21,23,24)
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KANCERA AB

US Patent


Assay Description
Method A: The kinase activity of the bi-functional enzyme is readily quantified based on the production of F-2,6-P2 as described by Van Schaftingen e...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 4 (PFKFB4)


(Homo sapiens (Human))
BDBM200908
PNG
(US9233946, 7)
Show SMILES CC(C)c1ccc2sc(c(C)c2c1)S(=O)(=O)Nc1ncc(s1)C(O)=O
Show InChI InChI=1S/C16H16N2O4S3/c1-8(2)10-4-5-12-11(6-10)9(3)15(23-12)25(21,22)18-16-17-7-13(24-16)14(19)20/h4-8H,1-3H3,(H,17,18)(H,19,20)
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KANCERA AB

US Patent


Assay Description
Method B: The kinase activity of the bi-functional enzyme is readily quantified based on the production of ADP and F-2,6-P2 from ATP and F6P. The ADP...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM200934
PNG
(US9233946, 33)
Show SMILES Cc1c(sc2ccc(C)cc12)S(=O)(=O)Nc1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C17H15N5O2S2/c1-10-6-7-15-14(8-10)11(2)17(25-15)26(23,24)20-13-5-3-4-12(9-13)16-18-21-22-19-16/h3-9,20H,1-2H3,(H,18,19,21,22)
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KANCERA AB

US Patent


Assay Description
Method B: The kinase activity of the bi-functional enzyme is readily quantified based on the production of ADP and F-2,6-P2 from ATP and F6P. The ADP...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 4 (PFKFB4)


(Homo sapiens (Human))
BDBM200939
PNG
(US9233946, 38)
Show SMILES Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C16H12ClNO4S2/c1-9-13-8-11(17)5-6-14(13)23-16(9)24(21,22)18-12-4-2-3-10(7-12)15(19)20/h2-8,18H,1H3,(H,19,20)
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US Patent


Assay Description
Method B: The kinase activity of the bi-functional enzyme is readily quantified based on the production of ADP and F-2,6-P2 from ATP and F6P. The ADP...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 4 (PFKFB4)


(Homo sapiens (Human))
BDBM200941
PNG
(US9233946, 40)
Show SMILES Cc1ccc2sc(cc2c1)S(=O)(=O)Nc1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C16H13N5O2S2/c1-10-5-6-14-12(7-10)9-15(24-14)25(22,23)19-13-4-2-3-11(8-13)16-17-20-21-18-16/h2-9,19H,1H3,(H,17,18,20,21)
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KANCERA AB

US Patent


Assay Description
Method B: The kinase activity of the bi-functional enzyme is readily quantified based on the production of ADP and F-2,6-P2 from ATP and F6P. The ADP...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 4 (PFKFB4)


(Homo sapiens (Human))
BDBM200944
PNG
(US9233946, 43)
Show SMILES Cc1c(sc2ccc(F)cc12)S(=O)(=O)Nc1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C16H12FN5O2S2/c1-9-13-8-11(17)5-6-14(13)25-16(9)26(23,24)20-12-4-2-3-10(7-12)15-18-21-22-19-15/h2-8,20H,1H3,(H,18,19,21,22)
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US Patent


Assay Description
Method B: The kinase activity of the bi-functional enzyme is readily quantified based on the production of ADP and F-2,6-P2 from ATP and F6P. The ADP...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 4 (PFKFB4)


(Homo sapiens (Human))
BDBM201035
PNG
(US9233946, 134)
Show SMILES Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1cccc(C(O)=O)c1O
Show InChI InChI=1S/C16H12ClNO5S2/c1-8-11-7-9(17)5-6-13(11)24-16(8)25(22,23)18-12-4-2-3-10(14(12)19)15(20)21/h2-7,18-19H,1H3,(H,20,21)
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KANCERA AB

US Patent


Assay Description
Method B: The kinase activity of the bi-functional enzyme is readily quantified based on the production of ADP and F-2,6-P2 from ATP and F6P. The ADP...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM200939
PNG
(US9233946, 38)
Show SMILES Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C16H12ClNO4S2/c1-9-13-8-11(17)5-6-14(13)23-16(9)24(21,22)18-12-4-2-3-10(7-12)15(19)20/h2-8,18H,1H3,(H,19,20)
PDB

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KANCERA AB

US Patent


Assay Description
Method A: The kinase activity of the bi-functional enzyme is readily quantified based on the production of F-2,6-P2 as described by Van Schaftingen e...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 4 (PFKFB4)


(Homo sapiens (Human))
BDBM200945
PNG
(US9233946, 44)
Show SMILES Cc1c(sc2c(Cl)cccc12)S(=O)(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C16H12ClNO4S2/c1-9-12-6-3-7-13(17)14(12)23-16(9)24(21,22)18-11-5-2-4-10(8-11)15(19)20/h2-8,18H,1H3,(H,19,20)
PDB

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KANCERA AB

US Patent


Assay Description
Method B: The kinase activity of the bi-functional enzyme is readily quantified based on the production of ADP and F-2,6-P2 from ATP and F6P. The ADP...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM200916
PNG
(US9233946, 15)
Show SMILES CC(C)c1ccc2sc(c(C)c2c1)S(=O)(=O)Nc1cccc(CC(O)=O)c1
Show InChI InChI=1S/C20H21NO4S2/c1-12(2)15-7-8-18-17(11-15)13(3)20(26-18)27(24,25)21-16-6-4-5-14(9-16)10-19(22)23/h4-9,11-12,21H,10H2,1-3H3,(H,22,23)
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KANCERA AB

US Patent


Assay Description
Method A: The kinase activity of the bi-functional enzyme is readily quantified based on the production of F-2,6-P2 as described by Van Schaftingen e...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM200915
PNG
(US9233946, 14)
Show SMILES CC(C)c1ccc2oc(c(C)c2c1)S(=O)(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C19H19NO5S/c1-11(2)13-7-8-17-16(10-13)12(3)19(25-17)26(23,24)20-15-6-4-5-14(9-15)18(21)22/h4-11,20H,1-3H3,(H,21,22)
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KANCERA AB

US Patent


Assay Description
Method A: The kinase activity of the bi-functional enzyme is readily quantified based on the production of F-2,6-P2 as described by Van Schaftingen e...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM200940
PNG
(US9233946, 39)
Show SMILES Cc1c(sc2ccccc12)S(=O)(=O)Nc1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C16H13N5O2S2/c1-10-13-7-2-3-8-14(13)24-16(10)25(22,23)19-12-6-4-5-11(9-12)15-17-20-21-18-15/h2-9,19H,1H3,(H,17,18,20,21)
PDB

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KANCERA AB

US Patent


Assay Description
Method B: The kinase activity of the bi-functional enzyme is readily quantified based on the production of ADP and F-2,6-P2 from ATP and F6P. The ADP...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM200902
PNG
(US9233946, 1)
Show SMILES Clc1ccc(c(Cl)c1Cl)S(=O)(=O)Nc1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C13H8Cl3N5O2S/c14-9-4-5-10(12(16)11(9)15)24(22,23)19-8-3-1-2-7(6-8)13-17-20-21-18-13/h1-6,19H,(H,17,18,20,21)
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KANCERA AB

US Patent


Assay Description
Method A: The kinase activity of the bi-functional enzyme is readily quantified based on the production of F-2,6-P2 as described by Van Schaftingen e...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM200926
PNG
(US9233946, 25)
Show SMILES Cc1nc(cs1)-c1ccc(s1)S(=O)(=O)Nc1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C15H12N6O2S3/c1-9-16-12(8-24-9)13-5-6-14(25-13)26(22,23)19-11-4-2-3-10(7-11)15-17-20-21-18-15/h2-8,19H,1H3,(H,17,18,20,21)
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KANCERA AB

US Patent


Assay Description
Method A: The kinase activity of the bi-functional enzyme is readily quantified based on the production of F-2,6-P2 as described by Van Schaftingen e...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM200949
PNG
(US9233946, 48)
Show SMILES Cc1c(sc2ccc(N)cc12)S(=O)(=O)Nc1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C16H14N6O2S2/c1-9-13-8-11(17)5-6-14(13)25-16(9)26(23,24)20-12-4-2-3-10(7-12)15-18-21-22-19-15/h2-8,20H,17H2,1H3,(H,18,19,21,22)
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KANCERA AB

US Patent


Assay Description
Method A: The kinase activity of the bi-functional enzyme is readily quantified based on the production of F-2,6-P2 as described by Van Schaftingen e...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 4 (PFKFB4)


(Homo sapiens (Human))
BDBM200917
PNG
(US9233946, 16)
Show SMILES O=S(=O)(Nc1cccc(c1)-c1nnn[nH]1)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C19H15N5O2S/c25-27(26,18-11-5-8-15(13-18)14-6-2-1-3-7-14)22-17-10-4-9-16(12-17)19-20-23-24-21-19/h1-13,22H,(H,20,21,23,24)
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US Patent


Assay Description
Method B: The kinase activity of the bi-functional enzyme is readily quantified based on the production of ADP and F-2,6-P2 from ATP and F6P. The ADP...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 4 (PFKFB4)


(Homo sapiens (Human))
BDBM200922
PNG
(US9233946, 21)
Show SMILES CSc1nccc(n1)-c1ccc(s1)S(=O)(=O)Nc1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C16H13N7O2S3/c1-26-16-17-8-7-12(18-16)13-5-6-14(27-13)28(24,25)21-11-4-2-3-10(9-11)15-19-22-23-20-15/h2-9,21H,1H3,(H,19,20,22,23)
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KANCERA AB

US Patent


Assay Description
Method B: The kinase activity of the bi-functional enzyme is readily quantified based on the production of ADP and F-2,6-P2 from ATP and F6P. The ADP...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 4 (PFKFB4)


(Homo sapiens (Human))
BDBM200943
PNG
(US9233946, 42)
Show SMILES COc1cccc2c(C)c(sc12)S(=O)(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C17H15NO5S2/c1-10-13-7-4-8-14(23-2)15(13)24-17(10)25(21,22)18-12-6-3-5-11(9-12)16(19)20/h3-9,18H,1-2H3,(H,19,20)
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KANCERA AB

US Patent


Assay Description
Method B: The kinase activity of the bi-functional enzyme is readily quantified based on the production of ADP and F-2,6-P2 from ATP and F6P. The ADP...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM200918
PNG
(US9233946, 17)
Show SMILES Fc1ccc(cc1)-c1cccc(c1)S(=O)(=O)Nc1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C19H14FN5O2S/c20-16-9-7-13(8-10-16)14-3-2-6-18(12-14)28(26,27)23-17-5-1-4-15(11-17)19-21-24-25-22-19/h1-12,23H,(H,21,22,24,25)
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KANCERA AB

US Patent


Assay Description
Method A: The kinase activity of the bi-functional enzyme is readily quantified based on the production of F-2,6-P2 as described by Van Schaftingen e...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 4 (PFKFB4)


(Homo sapiens (Human))
BDBM200928
PNG
(US9233946, 27)
Show SMILES Cc1ccc(cc1)-c1ccc(s1)S(=O)(=O)Nc1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C18H15N5O2S2/c1-12-5-7-13(8-6-12)16-9-10-17(26-16)27(24,25)21-15-4-2-3-14(11-15)18-19-22-23-20-18/h2-11,21H,1H3,(H,19,20,22,23)
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Assay Description
Method B: The kinase activity of the bi-functional enzyme is readily quantified based on the production of ADP and F-2,6-P2 from ATP and F6P. The ADP...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 4 (PFKFB4)


(Homo sapiens (Human))
BDBM200919
PNG
(US9233946, 18)
Show SMILES FC(F)(F)c1cc(Cl)c(c(Cl)c1)S(=O)(=O)Nc1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C14H8Cl2F3N5O2S/c15-10-5-8(14(17,18)19)6-11(16)12(10)27(25,26)22-9-3-1-2-7(4-9)13-20-23-24-21-13/h1-6,22H,(H,20,21,23,24)
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Assay Description
Method B: The kinase activity of the bi-functional enzyme is readily quantified based on the production of ADP and F-2,6-P2 from ATP and F6P. The ADP...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM200959
PNG
(US9233946, 58)
Show SMILES NC(=O)c1cccc(c1)-c1ccc(s1)S(=O)(=O)Nc1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C18H14N6O3S2/c19-17(25)12-4-1-3-11(9-12)15-7-8-16(28-15)29(26,27)22-14-6-2-5-13(10-14)18-20-23-24-21-18/h1-10,22H,(H2,19,25)(H,20,21,23,24)
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Assay Description
Method A: The kinase activity of the bi-functional enzyme is readily quantified based on the production of F-2,6-P2 as described by Van Schaftingen e...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM200960
PNG
(US9233946, 59)
Show SMILES Clc1nc(ns1)-c1ccc(s1)S(=O)(=O)Nc1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C13H8ClN7O2S3/c14-13-15-12(18-25-13)9-4-5-10(24-9)26(22,23)19-8-3-1-2-7(6-8)11-16-20-21-17-11/h1-6,19H,(H,16,17,20,21)
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Assay Description
Method A: The kinase activity of the bi-functional enzyme is readily quantified based on the production of F-2,6-P2 as described by Van Schaftingen e...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM200974
PNG
(US9233946, 73)
Show SMILES Clc1ccc(c2nonc12)S(=O)(=O)Nc1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C13H8ClN7O3S/c14-9-4-5-10(12-11(9)17-24-18-12)25(22,23)19-8-3-1-2-7(6-8)13-15-20-21-16-13/h1-6,19H,(H,15,16,20,21)
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Assay Description
Method B: The kinase activity of the bi-functional enzyme is readily quantified based on the production of ADP and F-2,6-P2 from ATP and F6P. The ADP...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 4 (PFKFB4)


(Homo sapiens (Human))
BDBM201002
PNG
(US9233946, 101)
Show SMILES Fc1ccc(-c2ccc(s2)S(=O)(=O)Nc2cccc(c2)-c2nnn[nH]2)c(F)c1
Show InChI InChI=1S/C17H11F2N5O2S2/c18-11-4-5-13(14(19)9-11)15-6-7-16(27-15)28(25,26)22-12-3-1-2-10(8-12)17-20-23-24-21-17/h1-9,22H,(H,20,21,23,24)
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Assay Description
Method B: The kinase activity of the bi-functional enzyme is readily quantified based on the production of ADP and F-2,6-P2 from ATP and F6P. The ADP...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM200909
PNG
(US9233946, 8)
Show SMILES CC(C)c1ccc2sc(c(C)c2c1)S(=O)(=O)Nc1nc(C)c(s1)C(O)=O
Show InChI InChI=1S/C17H18N2O4S3/c1-8(2)11-5-6-13-12(7-11)9(3)16(24-13)26(22,23)19-17-18-10(4)14(25-17)15(20)21/h5-8H,1-4H3,(H,18,19)(H,20,21)
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Assay Description
Method A: The kinase activity of the bi-functional enzyme is readily quantified based on the production of F-2,6-P2 as described by Van Schaftingen e...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM200924
PNG
(US9233946, 23)
Show SMILES Fc1cc(F)cc(c1)-c1ccc(s1)S(=O)(=O)Nc1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C17H11F2N5O2S2/c18-12-6-11(7-13(19)9-12)15-4-5-16(27-15)28(25,26)22-14-3-1-2-10(8-14)17-20-23-24-21-17/h1-9,22H,(H,20,21,23,24)
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Assay Description
Method B: The kinase activity of the bi-functional enzyme is readily quantified based on the production of ADP and F-2,6-P2 from ATP and F6P. The ADP...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 4 (PFKFB4)


(Homo sapiens (Human))
BDBM201003
PNG
(US9233946, 102)
Show SMILES Fc1ccc(cc1Cl)-c1ccc(s1)S(=O)(=O)Nc1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C17H11ClFN5O2S2/c18-13-9-10(4-5-14(13)19)15-6-7-16(27-15)28(25,26)22-12-3-1-2-11(8-12)17-20-23-24-21-17/h1-9,22H,(H,20,21,23,24)
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Assay Description
Method B: The kinase activity of the bi-functional enzyme is readily quantified based on the production of ADP and F-2,6-P2 from ATP and F6P. The ADP...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 4 (PFKFB4)


(Homo sapiens (Human))
BDBM200925
PNG
(US9233946, 24)
Show SMILES COc1ccccc1-c1ccc(s1)S(=O)(=O)Nc1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C18H15N5O3S2/c1-26-15-8-3-2-7-14(15)16-9-10-17(27-16)28(24,25)21-13-6-4-5-12(11-13)18-19-22-23-20-18/h2-11,21H,1H3,(H,19,20,22,23)
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Assay Description
Method B: The kinase activity of the bi-functional enzyme is readily quantified based on the production of ADP and F-2,6-P2 from ATP and F6P. The ADP...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM200920
PNG
(US9233946, 19)
Show SMILES COc1ccc(cc1)-c1cccc(c1)S(=O)(=O)Nc1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C20H17N5O3S/c1-28-18-10-8-14(9-11-18)15-4-3-7-19(13-15)29(26,27)23-17-6-2-5-16(12-17)20-21-24-25-22-20/h2-13,23H,1H3,(H,21,22,24,25)
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Assay Description
Method A: The kinase activity of the bi-functional enzyme is readily quantified based on the production of F-2,6-P2 as described by Van Schaftingen e...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM200910
PNG
(US9233946, 9)
Show SMILES CC(C)c1ccc2sc(c(C)c2c1)S(=O)(=O)Nc1cncc(c1)C(O)=O
Show InChI InChI=1S/C18H18N2O4S2/c1-10(2)12-4-5-16-15(7-12)11(3)18(25-16)26(23,24)20-14-6-13(17(21)22)8-19-9-14/h4-10,20H,1-3H3,(H,21,22)
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US Patent


Assay Description
Method A: The kinase activity of the bi-functional enzyme is readily quantified based on the production of F-2,6-P2 as described by Van Schaftingen e...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 4 (PFKFB4)


(Homo sapiens (Human))
BDBM200927
PNG
(US9233946, 26)
Show SMILES Clc1ccccc1-c1ccc(s1)S(=O)(=O)Nc1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C17H12ClN5O2S2/c18-14-7-2-1-6-13(14)15-8-9-16(26-15)27(24,25)21-12-5-3-4-11(10-12)17-19-22-23-20-17/h1-10,21H,(H,19,20,22,23)
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US Patent


Assay Description
Method B: The kinase activity of the bi-functional enzyme is readily quantified based on the production of ADP and F-2,6-P2 from ATP and F6P. The ADP...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM200911
PNG
(US9233946, 10)
Show SMILES CC(C)c1ccc2sc(c(C)c2c1)S(=O)(=O)Nc1cccc(n1)C(O)=O
Show InChI InChI=1S/C18H18N2O4S2/c1-10(2)12-7-8-15-13(9-12)11(3)18(25-15)26(23,24)20-16-6-4-5-14(19-16)17(21)22/h4-10H,1-3H3,(H,19,20)(H,21,22)
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KANCERA AB

US Patent


Assay Description
Method A: The kinase activity of the bi-functional enzyme is readily quantified based on the production of F-2,6-P2 as described by Van Schaftingen e...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM200921
PNG
(US9233946, 20)
Show SMILES O=S(=O)(Nc1cccc(c1)-c1nnn[nH]1)c1ccc2ccccc2c1
Show InChI InChI=1S/C17H13N5O2S/c23-25(24,16-9-8-12-4-1-2-5-13(12)11-16)20-15-7-3-6-14(10-15)17-18-21-22-19-17/h1-11,20H,(H,18,19,21,22)
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US Patent


Assay Description
Method A: The kinase activity of the bi-functional enzyme is readily quantified based on the production of F-2,6-P2 as described by Van Schaftingen e...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM200912
PNG
(US9233946, 11)
Show SMILES CC(C)c1ccc2sc(c(C)c2c1)S(=O)(=O)Nc1cc(cc(c1)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C19H18N2O6S2/c1-10(2)12-4-5-17-16(8-12)11(3)19(28-17)29(26,27)20-14-6-13(18(22)23)7-15(9-14)21(24)25/h4-10,20H,1-3H3,(H,22,23)
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KANCERA AB

US Patent


Assay Description
Method A: The kinase activity of the bi-functional enzyme is readily quantified based on the production of F-2,6-P2 as described by Van Schaftingen e...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM200913
PNG
(US9233946, 12)
Show SMILES CC(C)c1ccc2sc(c(C)c2c1)S(=O)(=O)Nc1cccc(c1)-c1nnn(CC(O)=O)n1
Show InChI InChI=1S/C21H21N5O4S2/c1-12(2)14-7-8-18-17(10-14)13(3)21(31-18)32(29,30)24-16-6-4-5-15(9-16)20-22-25-26(23-20)11-19(27)28/h4-10,12,24H,11H2,1-3H3,(H,27,28)
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KANCERA AB

US Patent


Assay Description
Method A: The kinase activity of the bi-functional enzyme is readily quantified based on the production of F-2,6-P2 as described by Van Schaftingen e...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM200957
PNG
(US9233946, 56)
Show SMILES FC(F)(F)c1cc(Br)ccc1S(=O)(=O)Nc1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C14H9BrF3N5O2S/c15-9-4-5-12(11(7-9)14(16,17)18)26(24,25)21-10-3-1-2-8(6-10)13-19-22-23-20-13/h1-7,21H,(H,19,20,22,23)
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KANCERA AB

US Patent


Assay Description
Method A: The kinase activity of the bi-functional enzyme is readily quantified based on the production of F-2,6-P2 as described by Van Schaftingen e...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM200961
PNG
(US9233946, 60)
Show SMILES O=S(=O)(Nc1cccc(c1)-c1nnn[nH]1)c1ccc(s1)-c1ccccc1
Show InChI InChI=1S/C17H13N5O2S2/c23-26(24,16-10-9-15(25-16)12-5-2-1-3-6-12)20-14-8-4-7-13(11-14)17-18-21-22-19-17/h1-11,20H,(H,18,19,21,22)
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KANCERA AB

US Patent


Assay Description
Method B: The kinase activity of the bi-functional enzyme is readily quantified based on the production of ADP and F-2,6-P2 from ATP and F6P. The ADP...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM200932
PNG
(US9233946, 31)
Show SMILES O=S(=O)(Nc1cccc(c1)-c1nnn[nH]1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C19H15N5O2S/c25-27(26,18-11-9-15(10-12-18)14-5-2-1-3-6-14)22-17-8-4-7-16(13-17)19-20-23-24-21-19/h1-13,22H,(H,20,21,23,24)
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KANCERA AB

US Patent


Assay Description
Method A: The kinase activity of the bi-functional enzyme is readily quantified based on the production of F-2,6-P2 as described by Van Schaftingen e...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM201000
PNG
(US9233946, 99)
Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(s1)S(=O)(=O)Nc1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C18H12F3N5O2S2/c19-18(20,21)13-5-1-3-11(9-13)15-7-8-16(29-15)30(27,28)24-14-6-2-4-12(10-14)17-22-25-26-23-17/h1-10,24H,(H,22,23,25,26)
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KANCERA AB

US Patent


Assay Description
Method B: The kinase activity of the bi-functional enzyme is readily quantified based on the production of ADP and F-2,6-P2 from ATP and F6P. The ADP...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM200954
PNG
(US9233946, 53)
Show SMILES Cc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C14H11Cl2N5O2S/c1-8-5-10(15)7-12(16)13(8)24(22,23)19-11-4-2-3-9(6-11)14-17-20-21-18-14/h2-7,19H,1H3,(H,17,18,20,21)
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UniChem
US Patent
n/an/a 1.78E+3n/an/an/an/an/an/a



KANCERA AB

US Patent


Assay Description
Method A: The kinase activity of the bi-functional enzyme is readily quantified based on the production of F-2,6-P2 as described by Van Schaftingen e...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 4 (PFKFB4)


(Homo sapiens (Human))
BDBM200958
PNG
(US9233946, 57)
Show SMILES Fc1cc(Br)ccc1S(=O)(=O)Nc1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C13H9BrFN5O2S/c14-9-4-5-12(11(15)7-9)23(21,22)18-10-3-1-2-8(6-10)13-16-19-20-17-13/h1-7,18H,(H,16,17,19,20)
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n/an/a 1.83E+3n/an/an/an/an/an/a



KANCERA AB

US Patent


Assay Description
Method B: The kinase activity of the bi-functional enzyme is readily quantified based on the production of ADP and F-2,6-P2 from ATP and F6P. The ADP...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM200962
PNG
(US9233946, 61)
Show SMILES CSc1nccc(n1)-c1ccc(s1)S(=O)(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C16H13N3O4S3/c1-24-16-17-8-7-12(18-16)13-5-6-14(25-13)26(22,23)19-11-4-2-3-10(9-11)15(20)21/h2-9,19H,1H3,(H,20,21)
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n/an/a 2.24E+3n/an/an/an/an/an/a



KANCERA AB

US Patent


Assay Description
Method B: The kinase activity of the bi-functional enzyme is readily quantified based on the production of ADP and F-2,6-P2 from ATP and F6P. The ADP...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM200972
PNG
(US9233946, 71)
Show SMILES Clc1cc(Cl)c(cc1Cl)S(=O)(=O)Nc1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C13H8Cl3N5O2S/c14-9-5-11(16)12(6-10(9)15)24(22,23)19-8-3-1-2-7(4-8)13-17-20-21-18-13/h1-6,19H,(H,17,18,20,21)
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n/an/a 2.39E+3n/an/an/an/an/an/a



KANCERA AB

US Patent


Assay Description
Method B: The kinase activity of the bi-functional enzyme is readily quantified based on the production of ADP and F-2,6-P2 from ATP and F6P. The ADP...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM200953
PNG
(US9233946, 52)
Show SMILES Clc1cc(Cl)cc(c1)-c1cccc(c1)S(=O)(=O)Nc1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C19H13Cl2N5O2S/c20-15-7-14(8-16(21)11-15)12-3-2-6-18(10-12)29(27,28)24-17-5-1-4-13(9-17)19-22-25-26-23-19/h1-11,24H,(H,22,23,25,26)
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n/an/a 2.54E+3n/an/an/an/an/an/a



KANCERA AB

US Patent


Assay Description
Method A: The kinase activity of the bi-functional enzyme is readily quantified based on the production of F-2,6-P2 as described by Van Schaftingen e...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM200987
PNG
(US9233946, 86)
Show SMILES Clc1ccc(cc1Cl)-c1ccc(cc1)S(=O)(=O)Nc1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C19H13Cl2N5O2S/c20-17-9-6-13(11-18(17)21)12-4-7-16(8-5-12)29(27,28)24-15-3-1-2-14(10-15)19-22-25-26-23-19/h1-11,24H,(H,22,23,25,26)
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n/an/a 2.80E+3n/an/an/an/an/an/a



KANCERA AB

US Patent


Assay Description
Method B: The kinase activity of the bi-functional enzyme is readily quantified based on the production of ADP and F-2,6-P2 from ATP and F6P. The ADP...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM200981
PNG
(US9233946, 80)
Show SMILES OC(=O)c1cccc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)c1
Show InChI InChI=1S/C19H15NO4S/c21-19(22)16-9-4-10-17(12-16)20-25(23,24)18-11-5-8-15(13-18)14-6-2-1-3-7-14/h1-13,20H,(H,21,22)
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n/an/a 3.10E+3n/an/an/an/an/an/a



KANCERA AB

US Patent


Assay Description
Method B: The kinase activity of the bi-functional enzyme is readily quantified based on the production of ADP and F-2,6-P2 from ATP and F6P. The ADP...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 4 (PFKFB4)


(Homo sapiens (Human))
BDBM200986
PNG
(US9233946, 85)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)Nc1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C20H17N5O3S/c1-28-18-9-5-14(6-10-18)15-7-11-19(12-8-15)29(26,27)23-17-4-2-3-16(13-17)20-21-24-25-22-20/h2-13,23H,1H3,(H,21,22,24,25)
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n/an/a 3.72E+3n/an/an/an/an/an/a



KANCERA AB

US Patent


Assay Description
Method B: The kinase activity of the bi-functional enzyme is readily quantified based on the production of ADP and F-2,6-P2 from ATP and F6P. The ADP...


US Patent US9233946 (2016)


BindingDB Entry DOI: 10.7270/Q2V123KB
More data for this
Ligand-Target Pair
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