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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 377.4
BDBM200917
Wt: 381.8
BDBM200939
Wt: 371.4
BDBM200941
Wt: 377.4
BDBM200943
Wt: 381.8
BDBM200945
Wt: 347.3
BDBM267017
Wt: 379.3
BDBM267019
Wt: 267.2
BDBM267021
Wt: 375.3
BDBM267023
Wt: 382.2
BDBM267029
Wt: 359.7
BDBM267034
Wt: 375.3
BDBM267036
Wt: 363.4
BDBM267046
Wt: 383.4
BDBM267071
Wt: 384.4
BDBM267073
Displayed 1 to 15 (of 100 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 16 hits in this display   
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 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)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 130n/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))
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)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 140n/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))
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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 180n/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))
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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 200n/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))
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)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 390n/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))
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)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 420n/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))
BDBM267071
PNG
(Methyl 4-[(biphenyl-3-ylsulfonyl)amino]-2-hydroxyb...)
Show SMILES COC(=O)c1ccc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)cc1O
Show InChI InChI=1S/C20H17NO5S/c1-26-20(23)18-11-10-16(13-19(18)22)21-27(24,25)17-9-5-8-15(12-17)14-6-3-2-4-7-14/h2-13,21-22H,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.60E+3n/an/an/an/an/an/a



Kancera AB

US Patent


Assay Description
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase (PFK-2/BPase-2) is a bi-functional enzyme that catalyses the formation and degradation of fructo...


US Patent US9718809 (2017)

More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 4 (PFKFB4)


(Homo sapiens (Human))
BDBM267021
PNG
(Methyl 4-[(tert-butoxycarbonyl)amino]-2-hydroxyben...)
Show SMILES COC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O
Show InChI InChI=1S/C13H17NO5/c1-13(2,3)19-12(17)14-8-5-6-9(10(15)7-8)11(16)18-4/h5-7,15H,1-4H3,(H,14,17)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.90E+3n/an/an/an/an/an/a



Kancera AB

US Patent


Assay Description
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase (PFK-2/BPase-2) is a bi-functional enzyme that catalyses the formation and degradation of fructo...


US Patent US9718809 (2017)

More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 4 (PFKFB4)


(Homo sapiens (Human))
BDBM267029
PNG
(Methyl 4-{[(2,5-dichloro-3-thienyl)sulfonyl]amino}...)
Show SMILES COC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1O
Show InChI InChI=1S/C12H9Cl2NO5S2/c1-20-12(17)7-3-2-6(4-8(7)16)15-22(18,19)9-5-10(13)21-11(9)14/h2-5,15-16H,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.30E+3n/an/an/an/an/an/a



Kancera AB

US Patent


Assay Description
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase (PFK-2/BPase-2) is a bi-functional enzyme that catalyses the formation and degradation of fructo...


US Patent US9718809 (2017)

More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 4 (PFKFB4)


(Homo sapiens (Human))
BDBM267036
PNG
(Methyl 4-{[(4-fluoro-1-naphthyl)sulfonyl]amino}-2-...)
Show SMILES COC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c3ccccc23)cc1O
Show InChI InChI=1S/C18H14FNO5S/c1-25-18(22)14-7-6-11(10-16(14)21)20-26(23,24)17-9-8-15(19)12-4-2-3-5-13(12)17/h2-10,20-21H,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.60E+3n/an/an/an/an/an/a



Kancera AB

US Patent


Assay Description
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase (PFK-2/BPase-2) is a bi-functional enzyme that catalyses the formation and degradation of fructo...


US Patent US9718809 (2017)

More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 4 (PFKFB4)


(Homo sapiens (Human))
BDBM267023
PNG
(Methyl 2-hydroxy-4-({[4-(trifluoromethyl)phenyl]su...)
Show SMILES COC(=O)c1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)cc1O
Show InChI InChI=1S/C15H12F3NO5S/c1-24-14(21)12-7-4-10(8-13(12)20)19-25(22,23)11-5-2-9(3-6-11)15(16,17)18/h2-8,19-20H,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.60E+3n/an/an/an/an/an/a



Kancera AB

US Patent


Assay Description
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase (PFK-2/BPase-2) is a bi-functional enzyme that catalyses the formation and degradation of fructo...


US Patent US9718809 (2017)

More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 4 (PFKFB4)


(Homo sapiens (Human))
BDBM267034
PNG
(Methyl 4-{[(3-chloro-4-fluorophenyl)sulfonyl]amino...)
Show SMILES COC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1O
Show InChI InChI=1S/C14H11ClFNO5S/c1-22-14(19)10-4-2-8(6-13(10)18)17-23(20,21)9-3-5-12(16)11(15)7-9/h2-7,17-18H,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.80E+3n/an/an/an/an/an/a



Kancera AB

US Patent


Assay Description
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase (PFK-2/BPase-2) is a bi-functional enzyme that catalyses the formation and degradation of fructo...


US Patent US9718809 (2017)

More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 4 (PFKFB4)


(Homo sapiens (Human))
BDBM267019
PNG
(Methyl 2-hydroxy-4-({[2-methyl-5-(trifluoromethyl)...)
Show SMILES COC(=O)c1ccc(NS(=O)(=O)c2cc(oc2C)C(F)(F)F)cc1O
Show InChI InChI=1S/C14H12F3NO6S/c1-7-11(6-12(24-7)14(15,16)17)25(21,22)18-8-3-4-9(10(19)5-8)13(20)23-2/h3-6,18-19H,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.70E+3n/an/an/an/an/an/a



Kancera AB

US Patent


Assay Description
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase (PFK-2/BPase-2) is a bi-functional enzyme that catalyses the formation and degradation of fructo...


US Patent US9718809 (2017)

More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 4 (PFKFB4)


(Homo sapiens (Human))
BDBM267073
PNG
(Methyl 2-hydroxy-4-{[(3-pyridin-4-ylphenyl)sulfony...)
Show SMILES COC(=O)c1ccc(NS(=O)(=O)c2cccc(c2)-c2ccncc2)cc1O
Show InChI InChI=1S/C19H16N2O5S/c1-26-19(23)17-6-5-15(12-18(17)22)21-27(24,25)16-4-2-3-14(11-16)13-7-9-20-10-8-13/h2-12,21-22H,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.70E+3n/an/an/an/an/an/a



Kancera AB

US Patent


Assay Description
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase (PFK-2/BPase-2) is a bi-functional enzyme that catalyses the formation and degradation of fructo...


US Patent US9718809 (2017)

More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 4 (PFKFB4)


(Homo sapiens (Human))
BDBM267046
PNG
(Methyl 4-[(1-benzothien-3-ylsulfonyl)amino]-2-hydr...)
Show SMILES COC(=O)c1ccc(NS(=O)(=O)c2csc3ccccc23)cc1O
Show InChI InChI=1S/C16H13NO5S2/c1-22-16(19)11-7-6-10(8-13(11)18)17-24(20,21)15-9-23-14-5-3-2-4-12(14)15/h2-9,17-18H,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.08E+4n/an/an/an/an/an/a



Kancera AB

US Patent


Assay Description
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase (PFK-2/BPase-2) is a bi-functional enzyme that catalyses the formation and degradation of fructo...


US Patent US9718809 (2017)

More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 4 (PFKFB4)


(Homo sapiens (Human))
BDBM267017
PNG
(Methyl 4-[(1-benzofuran-2-ylsulfonyl)amino]-2-hydr...)
Show SMILES COC(=O)c1ccc(NS(=O)(=O)c2cc3ccccc3o2)cc1O
Show InChI InChI=1S/C16H13NO6S/c1-22-16(19)12-7-6-11(9-13(12)18)17-24(20,21)15-8-10-4-2-3-5-14(10)23-15/h2-9,17-18H,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.96E+4n/an/an/an/an/an/a



Kancera AB

US Patent


Assay Description
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase (PFK-2/BPase-2) is a bi-functional enzyme that catalyses the formation and degradation of fructo...


US Patent US9718809 (2017)

More data for this
Ligand-Target Pair