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4 similar compounds to monomer 50082135

Wt: 335.3
BDBM50082132
Wt: 349.3
BDBM50082133
Wt: 377.4
BDBM50082134
Wt: 406.4
BDBM50082136

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50082132,50082133,50082134,50082136   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 2


(Homo sapiens)
BDBM50082132
PNG
(CHEMBL3422653)
Show SMILES Cn1c(N)c(C#N)c2cc(Oc3ccc(NC(=O)CN)cc3)ccc12
Show InChI InChI=1S/C18H17N5O2/c1-23-16-7-6-13(8-14(16)15(9-19)18(23)21)25-12-4-2-11(3-5-12)22-17(24)10-20/h2-8H,10,20-21H2,1H3,(H,22,24)
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n/an/a 2.11E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PFKFB2 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay


J Med Chem 58: 3611-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00352
BindingDB Entry DOI: 10.7270/Q2571DQB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 1


(Homo sapiens)
BDBM50082136
PNG
(CHEMBL3422659)
Show SMILES CN(C)C(=O)Cn1c(N)c(C#N)c2cc(Oc3ccc(NC(=O)CN)cc3)ccc12
Show InChI InChI=1S/C21H22N6O3/c1-26(2)20(29)12-27-18-8-7-15(9-16(18)17(10-22)21(27)24)30-14-5-3-13(4-6-14)25-19(28)11-23/h3-9H,11-12,23-24H2,1-2H3,(H,25,28)
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n/an/a 2.53E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PFKFB1 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay


J Med Chem 58: 3611-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00352
BindingDB Entry DOI: 10.7270/Q2571DQB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 2


(Homo sapiens)
BDBM50082134
PNG
(CHEMBL3422657)
Show SMILES CC(C)Cn1c(N)c(C#N)c2cc(Oc3ccc(NC(=O)CN)cc3)ccc12
Show InChI InChI=1S/C21H23N5O2/c1-13(2)12-26-19-8-7-16(9-17(19)18(10-22)21(26)24)28-15-5-3-14(4-6-15)25-20(27)11-23/h3-9,13H,11-12,23-24H2,1-2H3,(H,25,27)
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n/an/a 2.52E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PFKFB2 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay


J Med Chem 58: 3611-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00352
BindingDB Entry DOI: 10.7270/Q2571DQB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 2


(Homo sapiens)
BDBM50082136
PNG
(CHEMBL3422659)
Show SMILES CN(C)C(=O)Cn1c(N)c(C#N)c2cc(Oc3ccc(NC(=O)CN)cc3)ccc12
Show InChI InChI=1S/C21H22N6O3/c1-26(2)20(29)12-27-18-8-7-15(9-16(18)17(10-22)21(27)24)30-14-5-3-13(4-6-14)25-19(28)11-23/h3-9H,11-12,23-24H2,1-2H3,(H,25,28)
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n/an/a 6.84E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PFKFB2 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay


J Med Chem 58: 3611-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00352
BindingDB Entry DOI: 10.7270/Q2571DQB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM50082132
PNG
(CHEMBL3422653)
Show SMILES Cn1c(N)c(C#N)c2cc(Oc3ccc(NC(=O)CN)cc3)ccc12
Show InChI InChI=1S/C18H17N5O2/c1-23-16-7-6-13(8-14(16)15(9-19)18(23)21)25-12-4-2-11(3-5-12)22-17(24)10-20/h2-8H,10,20-21H2,1H3,(H,22,24)
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n/an/a 815n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PFKFB3 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay


J Med Chem 58: 3611-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00352
BindingDB Entry DOI: 10.7270/Q2571DQB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM50082133
PNG
(CHEMBL3422652)
Show SMILES CCn1c(N)c(C#N)c2cc(Oc3ccc(NC(=O)CN)cc3)ccc12
Show InChI InChI=1S/C19H19N5O2/c1-2-24-17-8-7-14(9-15(17)16(10-20)19(24)22)26-13-5-3-12(4-6-13)23-18(25)11-21/h3-9H,2,11,21-22H2,1H3,(H,23,25)
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n/an/a 514n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PFKFB3 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay


J Med Chem 58: 3611-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00352
BindingDB Entry DOI: 10.7270/Q2571DQB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM50082134
PNG
(CHEMBL3422657)
Show SMILES CC(C)Cn1c(N)c(C#N)c2cc(Oc3ccc(NC(=O)CN)cc3)ccc12
Show InChI InChI=1S/C21H23N5O2/c1-13(2)12-26-19-8-7-16(9-17(19)18(10-22)21(26)24)28-15-5-3-14(4-6-15)25-20(27)11-23/h3-9,13H,11-12,23-24H2,1-2H3,(H,25,27)
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n/an/a 177n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PFKFB3 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay


J Med Chem 58: 3611-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00352
BindingDB Entry DOI: 10.7270/Q2571DQB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM50082136
PNG
(CHEMBL3422659)
Show SMILES CN(C)C(=O)Cn1c(N)c(C#N)c2cc(Oc3ccc(NC(=O)CN)cc3)ccc12
Show InChI InChI=1S/C21H22N6O3/c1-26(2)20(29)12-27-18-8-7-15(9-16(18)17(10-22)21(27)24)30-14-5-3-13(4-6-14)25-19(28)11-23/h3-9H,11-12,23-24H2,1-2H3,(H,25,28)
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n/an/a 343n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PFKFB3 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay


J Med Chem 58: 3611-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00352
BindingDB Entry DOI: 10.7270/Q2571DQB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM50082133
PNG
(CHEMBL3422652)
Show SMILES CCn1c(N)c(C#N)c2cc(Oc3ccc(NC(=O)CN)cc3)ccc12
Show InChI InChI=1S/C19H19N5O2/c1-2-24-17-8-7-14(9-15(17)16(10-20)19(24)22)26-13-5-3-12(4-6-13)23-18(25)11-21/h3-9H,2,11,21-22H2,1H3,(H,23,25)
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n/an/a>3.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PFKFB3 in human A549 cells assessed as reduction of fructose-1,6-bisphosphate formation after 4 hrs by MS/MS analysis


J Med Chem 58: 3611-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00352
BindingDB Entry DOI: 10.7270/Q2571DQB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM50082134
PNG
(CHEMBL3422657)
Show SMILES CC(C)Cn1c(N)c(C#N)c2cc(Oc3ccc(NC(=O)CN)cc3)ccc12
Show InChI InChI=1S/C21H23N5O2/c1-13(2)12-26-19-8-7-16(9-17(19)18(10-22)21(26)24)28-15-5-3-14(4-6-15)25-20(27)11-23/h3-9,13H,11-12,23-24H2,1-2H3,(H,25,27)
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n/an/a>3.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PFKFB3 in human A549 cells assessed as reduction of fructose-1,6-bisphosphate formation after 4 hrs by MS/MS analysis


J Med Chem 58: 3611-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00352
BindingDB Entry DOI: 10.7270/Q2571DQB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM50082136
PNG
(CHEMBL3422659)
Show SMILES CN(C)C(=O)Cn1c(N)c(C#N)c2cc(Oc3ccc(NC(=O)CN)cc3)ccc12
Show InChI InChI=1S/C21H22N6O3/c1-26(2)20(29)12-27-18-8-7-15(9-16(18)17(10-22)21(27)24)30-14-5-3-13(4-6-14)25-19(28)11-23/h3-9H,11-12,23-24H2,1-2H3,(H,25,28)
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n/an/a>3.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PFKFB3 in human A549 cells assessed as reduction of fructose-1,6-bisphosphate formation after 4 hrs by MS/MS analysis


J Med Chem 58: 3611-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00352
BindingDB Entry DOI: 10.7270/Q2571DQB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM50082132
PNG
(CHEMBL3422653)
Show SMILES Cn1c(N)c(C#N)c2cc(Oc3ccc(NC(=O)CN)cc3)ccc12
Show InChI InChI=1S/C18H17N5O2/c1-23-16-7-6-13(8-14(16)15(9-19)18(23)21)25-12-4-2-11(3-5-12)22-17(24)10-20/h2-8H,10,20-21H2,1H3,(H,22,24)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PFKFB3 in human A549 cells assessed as decrease in lactate secretion after 4 hrs


J Med Chem 58: 3611-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00352
BindingDB Entry DOI: 10.7270/Q2571DQB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM50082133
PNG
(CHEMBL3422652)
Show SMILES CCn1c(N)c(C#N)c2cc(Oc3ccc(NC(=O)CN)cc3)ccc12
Show InChI InChI=1S/C19H19N5O2/c1-2-24-17-8-7-14(9-15(17)16(10-20)19(24)22)26-13-5-3-12(4-6-13)23-18(25)11-21/h3-9H,2,11,21-22H2,1H3,(H,23,25)
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n/an/a>3.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PFKFB3 in human A549 cells assessed as decrease in lactate secretion after 4 hrs


J Med Chem 58: 3611-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00352
BindingDB Entry DOI: 10.7270/Q2571DQB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM50082134
PNG
(CHEMBL3422657)
Show SMILES CC(C)Cn1c(N)c(C#N)c2cc(Oc3ccc(NC(=O)CN)cc3)ccc12
Show InChI InChI=1S/C21H23N5O2/c1-13(2)12-26-19-8-7-16(9-17(19)18(10-22)21(26)24)28-15-5-3-14(4-6-15)25-20(27)11-23/h3-9,13H,11-12,23-24H2,1-2H3,(H,25,27)
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n/an/a 1.64E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PFKFB3 in human A549 cells assessed as decrease in lactate secretion after 4 hrs


J Med Chem 58: 3611-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00352
BindingDB Entry DOI: 10.7270/Q2571DQB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM50082136
PNG
(CHEMBL3422659)
Show SMILES CN(C)C(=O)Cn1c(N)c(C#N)c2cc(Oc3ccc(NC(=O)CN)cc3)ccc12
Show InChI InChI=1S/C21H22N6O3/c1-26(2)20(29)12-27-18-8-7-15(9-16(18)17(10-22)21(27)24)30-14-5-3-13(4-6-14)25-19(28)11-23/h3-9H,11-12,23-24H2,1-2H3,(H,25,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PFKFB3 in human A549 cells assessed as decrease in lactate secretion after 4 hrs


J Med Chem 58: 3611-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00352
BindingDB Entry DOI: 10.7270/Q2571DQB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 1


(Homo sapiens)
BDBM50082132
PNG
(CHEMBL3422653)
Show SMILES Cn1c(N)c(C#N)c2cc(Oc3ccc(NC(=O)CN)cc3)ccc12
Show InChI InChI=1S/C18H17N5O2/c1-23-16-7-6-13(8-14(16)15(9-19)18(23)21)25-12-4-2-11(3-5-12)22-17(24)10-20/h2-8H,10,20-21H2,1H3,(H,22,24)
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n/an/a 3.82E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PFKFB1 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay


J Med Chem 58: 3611-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00352
BindingDB Entry DOI: 10.7270/Q2571DQB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 1


(Homo sapiens)
BDBM50082133
PNG
(CHEMBL3422652)
Show SMILES CCn1c(N)c(C#N)c2cc(Oc3ccc(NC(=O)CN)cc3)ccc12
Show InChI InChI=1S/C19H19N5O2/c1-2-24-17-8-7-14(9-15(17)16(10-20)19(24)22)26-13-5-3-12(4-6-13)23-18(25)11-21/h3-9H,2,11,21-22H2,1H3,(H,23,25)
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n/an/a 2.50E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PFKFB1 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay


J Med Chem 58: 3611-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00352
BindingDB Entry DOI: 10.7270/Q2571DQB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 1


(Homo sapiens)
BDBM50082134
PNG
(CHEMBL3422657)
Show SMILES CC(C)Cn1c(N)c(C#N)c2cc(Oc3ccc(NC(=O)CN)cc3)ccc12
Show InChI InChI=1S/C21H23N5O2/c1-13(2)12-26-19-8-7-16(9-17(19)18(10-22)21(26)24)28-15-5-3-14(4-6-15)25-20(27)11-23/h3-9,13H,11-12,23-24H2,1-2H3,(H,25,27)
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n/an/a 3.18E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PFKFB1 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay


J Med Chem 58: 3611-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00352
BindingDB Entry DOI: 10.7270/Q2571DQB
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 2


(Homo sapiens)
BDBM50082133
PNG
(CHEMBL3422652)
Show SMILES CCn1c(N)c(C#N)c2cc(Oc3ccc(NC(=O)CN)cc3)ccc12
Show InChI InChI=1S/C19H19N5O2/c1-2-24-17-8-7-14(9-15(17)16(10-20)19(24)22)26-13-5-3-12(4-6-13)23-18(25)11-21/h3-9H,2,11,21-22H2,1H3,(H,23,25)
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n/an/a 9.18E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PFKFB2 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay


J Med Chem 58: 3611-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00352
BindingDB Entry DOI: 10.7270/Q2571DQB
More data for this
Ligand-Target Pair