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Compile Data Set for Download or QSAR

Found 68 hits Enz. Inhib. hit(s) with Target = 'Phosphoglycerate kinase 1'   
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
Phosphoglycerate kinase 1


(Homo sapiens)
BDBM50216719
PNG
(CHEMBL348433)
Show SMILES OP(O)(=O)C(Cl)c1cccc(n1)C(Cl)P(O)(O)=O
Show InChI InChI=1S/C7H9Cl2NO6P2/c8-6(17(11,12)13)4-2-1-3-5(10-4)7(9)18(14,15)16/h1-3,6-7H,(H2,11,12,13)(H2,14,15,16)
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330n/an/an/an/an/an/a7.1n/a



Sheffield University

Curated by ChEMBL


Assay Description
Binding affinity was evaluated towards 3-phosphoglycerate kinase at 37 degrees Celsius in 0.1 m NaCl pH 7.1


Bioorg Med Chem Lett 8: 515-20 (1998)


Article DOI: 10.1016/s0960-894x(98)00059-6
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens)
BDBM50216635
PNG
(CHEMBL356436)
Show SMILES OP(O)(=O)C(F)c1cccc(c1)C(F)P(O)(O)=O
Show InChI InChI=1S/C8H10F2O6P2/c9-7(17(11,12)13)5-2-1-3-6(4-5)8(10)18(14,15)16/h1-4,7-8H,(H2,11,12,13)(H2,14,15,16)
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690n/an/an/an/an/an/a7.1n/a



Sheffield University

Curated by ChEMBL


Assay Description
Binding affinity was evaluated towards 3-phosphoglycerate kinase at 37 degrees Celsius in 0.1 m NaCl pH 7.1


Bioorg Med Chem Lett 8: 515-20 (1998)


Article DOI: 10.1016/s0960-894x(98)00059-6
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens)
BDBM50216724
PNG
(CHEMBL356430)
Show SMILES OP(O)(=O)CC(=C)CP(O)(O)=O
Show InChI InChI=1S/C4H10O6P2/c1-4(2-11(5,6)7)3-12(8,9)10/h1-3H2,(H2,5,6,7)(H2,8,9,10)
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6.10E+4n/an/an/an/an/an/a7.1n/a



Sheffield University

Curated by ChEMBL


Assay Description
Binding affinity was evaluated towards 3-phosphoglycerate kinase at 37 degrees Celsius in 0.1 m NaCl pH 7.1


Bioorg Med Chem Lett 8: 515-20 (1998)


Article DOI: 10.1016/s0960-894x(98)00059-6
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens)
BDBM50216699
PNG
(CHEMBL147415)
Show SMILES OP(O)(=O)C(F)c1cccc(n1)C(F)P(O)(O)=O
Show InChI InChI=1S/C7H9F2NO6P2/c8-6(17(11,12)13)4-2-1-3-5(10-4)7(9)18(14,15)16/h1-3,6-7H,(H2,11,12,13)(H2,14,15,16)
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6.10E+4n/an/an/an/an/an/a7.1n/a



Sheffield University

Curated by ChEMBL


Assay Description
Binding affinity was evaluated towards 3-phosphoglycerate kinase at 37 degrees Celsius in 0.1 m NaCl pH 7.1


Bioorg Med Chem Lett 8: 515-20 (1998)


Article DOI: 10.1016/s0960-894x(98)00059-6
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens)
BDBM50216698
PNG
(CHEMBL341829)
Show SMILES OC(c1cccc(c1)C(O)P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C8H12O8P2/c9-7(17(11,12)13)5-2-1-3-6(4-5)8(10)18(14,15)16/h1-4,7-10H,(H2,11,12,13)(H2,14,15,16)
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7.50E+4n/an/an/an/an/an/a7.1n/a



Sheffield University

Curated by ChEMBL


Assay Description
Binding affinity was evaluated towards 3-phosphoglycerate kinase at 37 degrees Celsius in 0.1 m NaCl pH 7.1


Bioorg Med Chem Lett 8: 515-20 (1998)


Article DOI: 10.1016/s0960-894x(98)00059-6
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens)
BDBM50216703
PNG
(CHEMBL148705)
Show SMILES OP(O)(=O)Cc1cccc(CP(O)(O)=O)n1
Show InChI InChI=1S/C7H11NO6P2/c9-15(10,11)4-6-2-1-3-7(8-6)5-16(12,13)14/h1-3H,4-5H2,(H2,9,10,11)(H2,12,13,14)
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8.00E+4n/an/an/an/an/an/a7.1n/a



Sheffield University

Curated by ChEMBL


Assay Description
Binding affinity was evaluated towards 3-phosphoglycerate kinase at 37 degrees Celsius in 0.1 m NaCl pH 7.1


Bioorg Med Chem Lett 8: 515-20 (1998)


Article DOI: 10.1016/s0960-894x(98)00059-6
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens)
BDBM50216711
PNG
(CHEMBL147362)
Show SMILES OP(O)(=O)Cc1cccc(CP(O)(O)=O)c1
Show InChI InChI=1S/C8H12O6P2/c9-15(10,11)5-7-2-1-3-8(4-7)6-16(12,13)14/h1-4H,5-6H2,(H2,9,10,11)(H2,12,13,14)
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1.20E+5n/an/an/an/an/an/a7.1n/a



Sheffield University

Curated by ChEMBL


Assay Description
Binding affinity was evaluated towards 3-phosphoglycerate kinase at 37 degrees Celsius in 0.1 m NaCl pH 7.1


Bioorg Med Chem Lett 8: 515-20 (1998)


Article DOI: 10.1016/s0960-894x(98)00059-6
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens)
BDBM50216697
PNG
(CHEMBL357982)
Show SMILES OC(c1cccc(n1)C(O)P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H11NO8P2/c9-6(17(11,12)13)4-2-1-3-5(8-4)7(10)18(14,15)16/h1-3,6-7,9-10H,(H2,11,12,13)(H2,14,15,16)
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1.56E+5n/an/an/an/an/an/a7.1n/a



Sheffield University

Curated by ChEMBL


Assay Description
Binding affinity was evaluated towards 3-phosphoglycerate kinase at 37 degrees Celsius in 0.1 m NaCl pH 7.1


Bioorg Med Chem Lett 8: 515-20 (1998)


Article DOI: 10.1016/s0960-894x(98)00059-6
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens)
BDBM50216634
PNG
(CHEMBL356655)
Show SMILES OP(O)(=O)C(Cl)c1cccc(c1)C(Cl)P(O)(O)=O
Show InChI InChI=1S/C8H10Cl2O6P2/c9-7(17(11,12)13)5-2-1-3-6(4-5)8(10)18(14,15)16/h1-4,7-8H,(H2,11,12,13)(H2,14,15,16)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Sheffield University

Curated by ChEMBL


Assay Description
Inhibitory activity against 3-phosphoglycerate kinase.


Bioorg Med Chem Lett 8: 515-20 (1998)


Article DOI: 10.1016/s0960-894x(98)00059-6
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens)
BDBM50216635
PNG
(CHEMBL356436)
Show SMILES OP(O)(=O)C(F)c1cccc(c1)C(F)P(O)(O)=O
Show InChI InChI=1S/C8H10F2O6P2/c9-7(17(11,12)13)5-2-1-3-6(4-5)8(10)18(14,15)16/h1-4,7-8H,(H2,11,12,13)(H2,14,15,16)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Sheffield University

Curated by ChEMBL


Assay Description
Inhibitory activity against 3-phosphoglycerate kinase.


Bioorg Med Chem Lett 8: 515-20 (1998)


Article DOI: 10.1016/s0960-894x(98)00059-6
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens)
BDBM50216636
PNG
(CHEMBL347337)
Show SMILES OP(O)(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O
Show InChI InChI=1S/C8H10F2O6P2/c9-8(10,18(14,15)16)7-3-1-6(2-4-7)5-17(11,12)13/h1-4H,5H2,(H2,11,12,13)(H2,14,15,16)
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n/an/a 1.98E+3n/an/an/an/an/an/a



Sheffield University

Curated by ChEMBL


Assay Description
Inhibitory activity against 3-phosphoglycerate kinase.


Bioorg Med Chem Lett 8: 515-20 (1998)


Article DOI: 10.1016/s0960-894x(98)00059-6
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens)
BDBM50216679
PNG
(CHEMBL149129)
Show SMILES OP(O)(=O)Cc1ccc(cc1)C(Cl)P(O)(O)=O
Show InChI InChI=1S/C8H11ClO6P2/c9-8(17(13,14)15)7-3-1-6(2-4-7)5-16(10,11)12/h1-4,8H,5H2,(H2,10,11,12)(H2,13,14,15)
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n/an/a 9.40E+3n/an/an/an/an/an/a



Sheffield University

Curated by ChEMBL


Assay Description
Inhibitory activity against 3-phosphoglycerate kinase.


Bioorg Med Chem Lett 8: 515-20 (1998)


Article DOI: 10.1016/s0960-894x(98)00059-6
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens)
BDBM50216694
PNG
(CHEMBL150532)
Show SMILES OC(c1cccc(c1)P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H10O7P2/c8-7(16(12,13)14)5-2-1-3-6(4-5)15(9,10)11/h1-4,7-8H,(H2,9,10,11)(H2,12,13,14)
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n/an/a 1.02E+5n/an/an/an/an/an/a



Sheffield University

Curated by ChEMBL


Assay Description
Inhibitory activity against 3-phosphoglycerate kinase.


Bioorg Med Chem Lett 8: 515-20 (1998)


Article DOI: 10.1016/s0960-894x(98)00059-6
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens)
BDBM50216695
PNG
(CHEMBL149058)
Show SMILES OP(O)(=O)Cc1cccc(c1)C(F)P(O)(O)=O
Show InChI InChI=1S/C8H11FO6P2/c9-8(17(13,14)15)7-3-1-2-6(4-7)5-16(10,11)12/h1-4,8H,5H2,(H2,10,11,12)(H2,13,14,15)
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n/an/a 8.35E+3n/an/an/an/an/an/a



Sheffield University

Curated by ChEMBL


Assay Description
Inhibitory activity against 3-phosphoglycerate kinase.


Bioorg Med Chem Lett 8: 515-20 (1998)


Article DOI: 10.1016/s0960-894x(98)00059-6
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens)
BDBM50216696
PNG
(CHEMBL357952)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(cc1)C(F)(F)P(O)(O)=O
Show InChI InChI=1S/C8H8F4O6P2/c9-7(10,19(13,14)15)5-1-2-6(4-3-5)8(11,12)20(16,17)18/h1-4H,(H2,13,14,15)(H2,16,17,18)
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n/an/a 980n/an/an/an/an/an/a



Sheffield University

Curated by ChEMBL


Assay Description
Inhibitory activity against 3-phosphoglycerate kinase.


Bioorg Med Chem Lett 8: 515-20 (1998)


Article DOI: 10.1016/s0960-894x(98)00059-6
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens)
BDBM50216697
PNG
(CHEMBL357982)
Show SMILES OC(c1cccc(n1)C(O)P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H11NO8P2/c9-6(17(11,12)13)4-2-1-3-5(8-4)7(10)18(14,15)16/h1-3,6-7,9-10H,(H2,11,12,13)(H2,14,15,16)
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n/an/a 1.63E+5n/an/an/an/an/an/a



Sheffield University

Curated by ChEMBL


Assay Description
Inhibitory activity against 3-phosphoglycerate kinase.


Bioorg Med Chem Lett 8: 515-20 (1998)


Article DOI: 10.1016/s0960-894x(98)00059-6
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens)
BDBM50216698
PNG
(CHEMBL341829)
Show SMILES OC(c1cccc(c1)C(O)P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C8H12O8P2/c9-7(17(11,12)13)5-2-1-3-6(4-5)8(10)18(14,15)16/h1-4,7-10H,(H2,11,12,13)(H2,14,15,16)
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n/an/a 1.50E+5n/an/an/an/an/an/a



Sheffield University

Curated by ChEMBL


Assay Description
Inhibitory activity against 3-phosphoglycerate kinase.


Bioorg Med Chem Lett 8: 515-20 (1998)


Article DOI: 10.1016/s0960-894x(98)00059-6
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens)
BDBM50216699
PNG
(CHEMBL147415)
Show SMILES OP(O)(=O)C(F)c1cccc(n1)C(F)P(O)(O)=O
Show InChI InChI=1S/C7H9F2NO6P2/c8-6(17(11,12)13)4-2-1-3-5(10-4)7(9)18(14,15)16/h1-3,6-7H,(H2,11,12,13)(H2,14,15,16)
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n/an/a 8.70E+4n/an/an/an/an/an/a



Sheffield University

Curated by ChEMBL


Assay Description
Inhibitory activity against 3-phosphoglycerate kinase.


Bioorg Med Chem Lett 8: 515-20 (1998)


Article DOI: 10.1016/s0960-894x(98)00059-6
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens)
BDBM50216700
PNG
(CHEMBL149264)
Show SMILES OP(O)(=O)C(Cl)(Cl)c1cccc(c1)C(Cl)(Cl)P(O)(O)=O
Show InChI InChI=1S/C8H8Cl4O6P2/c9-7(10,19(13,14)15)5-2-1-3-6(4-5)8(11,12)20(16,17)18/h1-4H,(H2,13,14,15)(H2,16,17,18)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Sheffield University

Curated by ChEMBL


Assay Description
Inhibitory activity against 3-phosphoglycerate kinase.


Bioorg Med Chem Lett 8: 515-20 (1998)


Article DOI: 10.1016/s0960-894x(98)00059-6
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens)
BDBM50216701
PNG
(CHEMBL148974)
Show SMILES OP(O)(=O)C(F)(F)c1cccc(n1)C(F)(F)P(O)(O)=O
Show InChI InChI=1S/C7H7F4NO6P2/c8-6(9,19(13,14)15)4-2-1-3-5(12-4)7(10,11)20(16,17)18/h1-3H,(H2,13,14,15)(H2,16,17,18)
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n/an/a 1.17E+3n/an/an/an/an/an/a



Sheffield University

Curated by ChEMBL


Assay Description
Inhibitory activity against 3-phosphoglycerate kinase.


Bioorg Med Chem Lett 8: 515-20 (1998)


Article DOI: 10.1016/s0960-894x(98)00059-6
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens)
BDBM50216702
PNG
(CHEMBL148792)
Show SMILES Cc1cc(C)c(CP(O)(O)=O)cc1CP(O)(O)=O
Show InChI InChI=1S/C10H16O6P2/c1-7-3-8(2)10(6-18(14,15)16)4-9(7)5-17(11,12)13/h3-4H,5-6H2,1-2H3,(H2,11,12,13)(H2,14,15,16)
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n/an/a 7.30E+4n/an/an/an/an/an/a



Sheffield University

Curated by ChEMBL


Assay Description
Inhibitory activity against 3-phosphoglycerate kinase.


Bioorg Med Chem Lett 8: 515-20 (1998)


Article DOI: 10.1016/s0960-894x(98)00059-6
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens)
BDBM50216704
PNG
(CHEMBL150751)
Show SMILES Cc1cc(C)c(cc1C(F)(F)P(O)(O)=O)C(F)(F)P(O)(O)=O
Show InChI InChI=1S/C10H12F4O6P2/c1-5-3-6(2)8(10(13,14)22(18,19)20)4-7(5)9(11,12)21(15,16)17/h3-4H,1-2H3,(H2,15,16,17)(H2,18,19,20)
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n/an/a 840n/an/an/an/an/an/a



Sheffield University

Curated by ChEMBL


Assay Description
Inhibitory activity against 3-phosphoglycerate kinase.


Bioorg Med Chem Lett 8: 515-20 (1998)


Article DOI: 10.1016/s0960-894x(98)00059-6
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens)
BDBM50216705
PNG
(CHEMBL149943)
Show SMILES OP(O)(=O)C(Cl)c1cccc(c1)P(O)(O)=O
Show InChI InChI=1S/C7H9ClO6P2/c8-7(16(12,13)14)5-2-1-3-6(4-5)15(9,10)11/h1-4,7H,(H2,9,10,11)(H2,12,13,14)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Sheffield University

Curated by ChEMBL


Assay Description
Inhibitory activity against 3-phosphoglycerate kinase.


Bioorg Med Chem Lett 8: 515-20 (1998)


Article DOI: 10.1016/s0960-894x(98)00059-6
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens)
BDBM50216706
PNG
(CHEMBL148654)
Show SMILES OC(c1ccc(cc1)C(O)P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C8H12O8P2/c9-7(17(11,12)13)5-1-2-6(4-3-5)8(10)18(14,15)16/h1-4,7-10H,(H2,11,12,13)(H2,14,15,16)
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n/an/a 1.81E+5n/an/an/an/an/an/a



Sheffield University

Curated by ChEMBL


Assay Description
Inhibitory activity against 3-phosphoglycerate kinase.


Bioorg Med Chem Lett 8: 515-20 (1998)


Article DOI: 10.1016/s0960-894x(98)00059-6
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens)
BDBM50216707
PNG
(CHEMBL422133)
Show SMILES OP(O)(=O)Cc1cccc(c1)C(F)(F)P(O)(O)=O
Show InChI InChI=1S/C8H10F2O6P2/c9-8(10,18(14,15)16)7-3-1-2-6(4-7)5-17(11,12)13/h1-4H,5H2,(H2,11,12,13)(H2,14,15,16)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Sheffield University

Curated by ChEMBL


Assay Description
Inhibitory activity against 3-phosphoglycerate kinase.


Bioorg Med Chem Lett 8: 515-20 (1998)


Article DOI: 10.1016/s0960-894x(98)00059-6
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens)
BDBM50216708
PNG
(CHEMBL151887)
Show SMILES Cc1cc(cc(c1)C(F)(F)P(O)(O)=O)C(F)(F)P(O)(O)=O
Show InChI InChI=1S/C9H10F4O6P2/c1-5-2-6(8(10,11)20(14,15)16)4-7(3-5)9(12,13)21(17,18)19/h2-4H,1H3,(H2,14,15,16)(H2,17,18,19)
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n/an/a 880n/an/an/an/an/an/a



Sheffield University

Curated by ChEMBL


Assay Description
Inhibitory activity against 3-phosphoglycerate kinase.


Bioorg Med Chem Lett 8: 515-20 (1998)


Article DOI: 10.1016/s0960-894x(98)00059-6
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens)
BDBM50216709
PNG
(CHEMBL148780)
Show SMILES OC(c1cccc(CP(O)(O)=O)c1)P(O)(O)=O
Show InChI InChI=1S/C8H12O7P2/c9-8(17(13,14)15)7-3-1-2-6(4-7)5-16(10,11)12/h1-4,8-9H,5H2,(H2,10,11,12)(H2,13,14,15)
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n/an/a 6.88E+4n/an/an/an/an/an/a



Sheffield University

Curated by ChEMBL


Assay Description
Inhibitory activity against 3-phosphoglycerate kinase.


Bioorg Med Chem Lett 8: 515-20 (1998)


Article DOI: 10.1016/s0960-894x(98)00059-6
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens)
BDBM50216710
PNG
(CHEMBL345538)
Show SMILES OP(O)(=O)Cc1ccc(cc1)C(F)P(O)(O)=O
Show InChI InChI=1S/C8H11FO6P2/c9-8(17(13,14)15)7-3-1-6(2-4-7)5-16(10,11)12/h1-4,8H,5H2,(H2,10,11,12)(H2,13,14,15)
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n/an/a 1.07E+4n/an/an/an/an/an/a



Sheffield University

Curated by ChEMBL


Assay Description
Inhibitory activity against 3-phosphoglycerate kinase.


Bioorg Med Chem Lett 8: 515-20 (1998)


Article DOI: 10.1016/s0960-894x(98)00059-6
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens)
BDBM50216712
PNG
(CHEMBL149219)
Show SMILES OP(O)(=O)Cc1ccccc1CP(O)(O)=O
Show InChI InChI=1S/C8H12O6P2/c9-15(10,11)5-7-3-1-2-4-8(7)6-16(12,13)14/h1-4H,5-6H2,(H2,9,10,11)(H2,12,13,14)
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n/an/a 1.07E+5n/an/an/an/an/an/a



Sheffield University

Curated by ChEMBL


Assay Description
Inhibitory activity against 3-phosphoglycerate kinase.


Bioorg Med Chem Lett 8: 515-20 (1998)


Article DOI: 10.1016/s0960-894x(98)00059-6
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens)
BDBM50216713
PNG
(CHEMBL345282)
Show SMILES OC(c1ccc(CP(O)(O)=O)cc1)P(O)(O)=O
Show InChI InChI=1S/C8H12O7P2/c9-8(17(13,14)15)7-3-1-6(2-4-7)5-16(10,11)12/h1-4,8-9H,5H2,(H2,10,11,12)(H2,13,14,15)
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n/an/a 8.90E+4n/an/an/an/an/an/a



Sheffield University

Curated by ChEMBL


Assay Description
Inhibitory activity against 3-phosphoglycerate kinase.


Bioorg Med Chem Lett 8: 515-20 (1998)


Article DOI: 10.1016/s0960-894x(98)00059-6
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens)
BDBM50216714
PNG
(CHEMBL149734)
Show SMILES OP(O)(=O)C(Cl)c1ccc(cc1)C(Cl)P(O)(O)=O
Show InChI InChI=1S/C8H10Cl2O6P2/c9-7(17(11,12)13)5-1-2-6(4-3-5)8(10)18(14,15)16/h1-4,7-8H,(H2,11,12,13)(H2,14,15,16)
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n/an/a 1.08E+3n/an/an/an/an/an/a



Sheffield University

Curated by ChEMBL


Assay Description
Inhibitory activity against 3-phosphoglycerate kinase.


Bioorg Med Chem Lett 8: 515-20 (1998)


Article DOI: 10.1016/s0960-894x(98)00059-6
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens)
BDBM50216715
PNG
(CHEMBL151547)
Show SMILES Cc1cc(CP(O)(O)=O)cc(CP(O)(O)=O)c1
Show InChI InChI=1S/C9H14O6P2/c1-7-2-8(5-16(10,11)12)4-9(3-7)6-17(13,14)15/h2-4H,5-6H2,1H3,(H2,10,11,12)(H2,13,14,15)
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n/an/a 9.90E+4n/an/an/an/an/an/a



Sheffield University

Curated by ChEMBL


Assay Description
Inhibitory activity against 3-phosphoglycerate kinase.


Bioorg Med Chem Lett 8: 515-20 (1998)


Article DOI: 10.1016/s0960-894x(98)00059-6
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens)
BDBM50216716
PNG
(CHEMBL348186)
Show SMILES OP(O)(=O)c1cccc(c1)C(F)(F)P(O)(O)=O
Show InChI InChI=1S/C7H8F2O6P2/c8-7(9,17(13,14)15)5-2-1-3-6(4-5)16(10,11)12/h1-4H,(H2,10,11,12)(H2,13,14,15)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Sheffield University

Curated by ChEMBL


Assay Description
Inhibitory activity against 3-phosphoglycerate kinase.


Bioorg Med Chem Lett 8: 515-20 (1998)


Article DOI: 10.1016/s0960-894x(98)00059-6
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens)
BDBM50216717
PNG
(CHEMBL149729)
Show SMILES Cc1cc(C)c(CP(O)(O)=O)c(C)c1CP(O)(O)=O
Show InChI InChI=1S/C11H18O6P2/c1-7-4-8(2)11(6-19(15,16)17)9(3)10(7)5-18(12,13)14/h4H,5-6H2,1-3H3,(H2,12,13,14)(H2,15,16,17)
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n/an/a 7.80E+4n/an/an/an/an/an/a



Sheffield University

Curated by ChEMBL


Assay Description
Inhibitory activity against 3-phosphoglycerate kinase.


Bioorg Med Chem Lett 8: 515-20 (1998)


Article DOI: 10.1016/s0960-894x(98)00059-6
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Saccharomyces cerevisiae)
BDBM50067773
PNG
(1,1,3,3-Tetrafluoro-2,2-dihydroxypropane-1,3-bisph...)
Show SMILES OC(O)(C(F)(F)P([O-])([O-])=O)C(F)(F)P([O-])([O-])=O
Show InChI InChI=1S/C3H6F4O8P2/c4-2(5,16(10,11)12)1(8,9)3(6,7)17(13,14)15/h8-9H,(H2,10,11,12)(H2,13,14,15)/p-4
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n/an/an/a 7.20E+4n/an/an/an/an/a



University of Sheffield

Curated by ChEMBL


Assay Description
Dissociation constant of phosphoglycerate kinase (PGK) at pH (3.0-11.0) was determined


J Med Chem 41: 4439-52 (1998)


Article DOI: 10.1021/jm970839y
BindingDB Entry DOI: 10.7270/Q2BR8SV2
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Saccharomyces cerevisiae)
BDBM50067774
PNG
(1,1-Difluoro-2-oxo-3-azapentane-1,5-bisphosphonic ...)
Show SMILES [O-]P([O-])(=O)CCNC(=O)C(F)(F)P([O-])([O-])=O
Show InChI InChI=1S/C4H9F2NO7P2/c5-4(6,16(12,13)14)3(8)7-1-2-15(9,10)11/h1-2H2,(H,7,8)(H2,9,10,11)(H2,12,13,14)/p-4
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n/an/an/a 6.00E+3n/an/an/an/an/a



University of Sheffield

Curated by ChEMBL


Assay Description
Dissociation constant of phosphoglycerate kinase (PGK) at pH (3.0-11.0) was determined


J Med Chem 41: 4439-52 (1998)


Article DOI: 10.1021/jm970839y
BindingDB Entry DOI: 10.7270/Q2BR8SV2
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Saccharomyces cerevisiae)
BDBM50067775
PNG
(2-Oxopentane-1,5-bisphosphonic Acid)
Show SMILES [O-]P([O-])(=O)CCCC(=O)CP([O-])([O-])=O
Show InChI InChI=1S/C5H12O7P2/c6-5(4-14(10,11)12)2-1-3-13(7,8)9/h1-4H2,(H2,7,8,9)(H2,10,11,12)/p-4
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n/an/an/a 1.90E+4n/an/an/an/an/a



University of Sheffield

Curated by ChEMBL


Assay Description
Dissociation constant of phosphoglycerate kinase (PGK) at pH (3.0-11.0) was determined


J Med Chem 41: 4439-52 (1998)


Article DOI: 10.1021/jm970839y
BindingDB Entry DOI: 10.7270/Q2BR8SV2
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Saccharomyces cerevisiae)
BDBM50067776
PNG
(Pentane-1,5-bisphosphonic Acid)
Show SMILES [O-]P([O-])(=O)CCCCCP([O-])([O-])=O
Show InChI InChI=1S/C5H14O6P2/c6-12(7,8)4-2-1-3-5-13(9,10)11/h1-5H2,(H2,6,7,8)(H2,9,10,11)/p-4
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n/an/an/a 1.30E+6n/an/an/an/an/a



University of Sheffield

Curated by ChEMBL


Assay Description
Dissociation constant of phosphoglycerate kinase (PGK) at pH (3.0-11.0) was determined


J Med Chem 41: 4439-52 (1998)


Article DOI: 10.1021/jm970839y
BindingDB Entry DOI: 10.7270/Q2BR8SV2
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Saccharomyces cerevisiae)
BDBM50067777
PNG
(2-Oxo-3-azapentane-1,5-bisphosphonic Acid)
Show SMILES [O-]P([O-])(=O)CCNC(=O)CP([O-])([O-])=O
Show InChI InChI=1S/C4H11NO7P2/c6-4(3-14(10,11)12)5-1-2-13(7,8)9/h1-3H2,(H,5,6)(H2,7,8,9)(H2,10,11,12)/p-4
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n/an/an/a 6.75E+5n/an/an/an/an/a



University of Sheffield

Curated by ChEMBL


Assay Description
Dissociation constant of phosphoglycerate kinase (PGK) at pH (3.0-11.0) was determined


J Med Chem 41: 4439-52 (1998)


Article DOI: 10.1021/jm970839y
BindingDB Entry DOI: 10.7270/Q2BR8SV2
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Saccharomyces cerevisiae)
BDBM50067779
PNG
(2-Oxobutane-1,4-bisphosphonic Acid)
Show SMILES [O-]P([O-])(=O)CCC(=O)CP([O-])([O-])=O
Show InChI InChI=1S/C4H10O7P2/c5-4(3-13(9,10)11)1-2-12(6,7)8/h1-3H2,(H2,6,7,8)(H2,9,10,11)/p-4
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n/an/an/a 2.00E+3n/an/an/an/an/a



University of Sheffield

Curated by ChEMBL


Assay Description
Dissociation constant of phosphoglycerate kinase (PGK) at pH (3.0-11.0) was determined


J Med Chem 41: 4439-52 (1998)


Article DOI: 10.1021/jm970839y
BindingDB Entry DOI: 10.7270/Q2BR8SV2
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Saccharomyces cerevisiae)
BDBM50067778
PNG
(1,1-Difluoropentane-1,5-bisphosphonic Acid)
Show SMILES [O-]P([O-])(=O)CCCCC(F)(F)P([O-])([O-])=O
Show InChI InChI=1S/C5H12F2O6P2/c6-5(7,15(11,12)13)3-1-2-4-14(8,9)10/h1-4H2,(H2,8,9,10)(H2,11,12,13)/p-4
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n/an/an/a 4.00E+3n/an/an/an/an/a



University of Sheffield

Curated by ChEMBL


Assay Description
Dissociation constant of phosphoglycerate kinase (PGK) at pH (3.0-11.0) was determined


J Med Chem 41: 4439-52 (1998)


Article DOI: 10.1021/jm970839y
BindingDB Entry DOI: 10.7270/Q2BR8SV2
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Saccharomyces cerevisiae)
BDBM50067780
PNG
(Hexane-1,6-bisphosphonic Acid)
Show SMILES [O-]P([O-])(=O)CCCCCCP([O-])([O-])=O
Show InChI InChI=1S/C6H16O6P2/c7-13(8,9)5-3-1-2-4-6-14(10,11)12/h1-6H2,(H2,7,8,9)(H2,10,11,12)/p-4
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n/an/an/a 2.13E+6n/an/an/an/an/a



University of Sheffield

Curated by ChEMBL


Assay Description
Dissociation constant of phosphoglycerate kinase (PGK) at pH (3.0-11.0) was determined


J Med Chem 41: 4439-52 (1998)


Article DOI: 10.1021/jm970839y
BindingDB Entry DOI: 10.7270/Q2BR8SV2
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Saccharomyces cerevisiae)
BDBM50067781
PNG
(1,1,5,5-Tetrafluoro-2-oxo-3-azapentane-1,5-bisphos...)
Show SMILES [O-]P([O-])(=O)C(F)(F)CNC(=O)C(F)(F)P([O-])([O-])=O
Show InChI InChI=1S/C4H7F4NO7P2/c5-3(6,17(11,12)13)1-9-2(10)4(7,8)18(14,15)16/h1H2,(H,9,10)(H2,11,12,13)(H2,14,15,16)/p-4
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n/an/an/a 4.00E+3n/an/an/an/an/a



University of Sheffield

Curated by ChEMBL


Assay Description
Dissociation constant of phosphoglycerate kinase (PGK) at pH (3.0-11.0) was determined


J Med Chem 41: 4439-52 (1998)


Article DOI: 10.1021/jm970839y
BindingDB Entry DOI: 10.7270/Q2BR8SV2
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Saccharomyces cerevisiae)
BDBM50067782
PNG
((1,1,5,5-tetrafluoro-5-phosphonatopentyl)phosphona...)
Show SMILES [O-]P([O-])(=O)C(F)(F)CCCC(F)(F)P([O-])([O-])=O
Show InChI InChI=1S/C5H10F4O6P2/c6-4(7,16(10,11)12)2-1-3-5(8,9)17(13,14)15/h1-3H2,(H2,10,11,12)(H2,13,14,15)/p-4
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n/an/an/a 1.40E+5n/an/an/an/an/a



University of Sheffield

Curated by ChEMBL


Assay Description
Dissociation constant of phosphoglycerate kinase (PGK) at pH (3.0-11.0) was determined


J Med Chem 41: 4439-52 (1998)


Article DOI: 10.1021/jm970839y
BindingDB Entry DOI: 10.7270/Q2BR8SV2
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Saccharomyces cerevisiae)
BDBM50067783
PNG
(3-Phosphoglycerate | 3-phospho-D-glyceric acid)
Show SMILES O[C@H](COP([O-])([O-])=O)C([O-])=O
Show InChI InChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/p-3/t2-/m1/s1
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n/an/an/a 1.10E+5n/an/an/an/an/a



University of Sheffield

Curated by ChEMBL


Assay Description
Dissociation constant of phosphoglycerate kinase (PGK) at pH (3.0-11.0) was determined


J Med Chem 41: 4439-52 (1998)


Article DOI: 10.1021/jm970839y
BindingDB Entry DOI: 10.7270/Q2BR8SV2
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Saccharomyces cerevisiae)
BDBM50067784
PNG
(1,3-Bisphosphoglycerate analogue | 3-Oxapentane-1,...)
Show SMILES [O-]P([O-])(=O)CCOCCP([O-])([O-])=O
Show InChI InChI=1S/C4H12O7P2/c5-12(6,7)3-1-11-2-4-13(8,9)10/h1-4H2,(H2,5,6,7)(H2,8,9,10)/p-4
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n/an/an/a 5.00E+6n/an/an/an/an/a



University of Sheffield

Curated by ChEMBL


Assay Description
Dissociation constant of phosphoglycerate kinase (PGK) at pH (3.0-11.0) was determined


J Med Chem 41: 4439-52 (1998)


Article DOI: 10.1021/jm970839y
BindingDB Entry DOI: 10.7270/Q2BR8SV2
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Saccharomyces cerevisiae)
BDBM50067785
PNG
(1,1,6,6-Tetrafluorohexane-1,6-bisphosphonic Acid)
Show SMILES [O-]P([O-])(=O)C(F)(F)CCCCC(F)(F)P([O-])([O-])=O
Show InChI InChI=1S/C6H12F4O6P2/c7-5(8,17(11,12)13)3-1-2-4-6(9,10)18(14,15)16/h1-4H2,(H2,11,12,13)(H2,14,15,16)/p-4
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n/an/an/a 1.00E+6n/an/an/an/an/a



University of Sheffield

Curated by ChEMBL


Assay Description
Dissociation constant of phosphoglycerate kinase (PGK) at pH (3.0-11.0) was determined


J Med Chem 41: 4439-52 (1998)


Article DOI: 10.1021/jm970839y
BindingDB Entry DOI: 10.7270/Q2BR8SV2
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Saccharomyces cerevisiae)
BDBM50067787
PNG
(1,1,5,5-Tetrafluoro-3-oxapentane-1,5-bisphosphonic...)
Show SMILES [O-]P([O-])(=O)C(F)(F)COCC(F)(F)P([O-])([O-])=O
Show InChI InChI=1S/C4H8F4O7P2/c5-3(6,16(9,10)11)1-15-2-4(7,8)17(12,13)14/h1-2H2,(H2,9,10,11)(H2,12,13,14)/p-4
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n/an/an/a 2.65E+5n/an/an/an/an/a



University of Sheffield

Curated by ChEMBL


Assay Description
Dissociation constant of phosphoglycerate kinase (PGK) at pH (3.0-11.0) was determined


J Med Chem 41: 4439-52 (1998)


Article DOI: 10.1021/jm970839y
BindingDB Entry DOI: 10.7270/Q2BR8SV2
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Saccharomyces cerevisiae)
BDBM50067786
PNG
(1,1-Difluoro-2-oxobutane-1,4-bisphosphonic Acid)
Show SMILES [O-]P([O-])(=O)CCC(=O)C(F)(F)P([O-])([O-])=O
Show InChI InChI=1S/C4H8F2O7P2/c5-4(6,15(11,12)13)3(7)1-2-14(8,9)10/h1-2H2,(H2,8,9,10)(H2,11,12,13)/p-4
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n/an/an/a 3.00E+3n/an/an/an/an/a



University of Sheffield

Curated by ChEMBL


Assay Description
Dissociation constant of phosphoglycerate kinase (PGK) at pH (3.0-11.0) was determined


J Med Chem 41: 4439-52 (1998)


Article DOI: 10.1021/jm970839y
BindingDB Entry DOI: 10.7270/Q2BR8SV2
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Saccharomyces cerevisiae)
BDBM50067789
PNG
(1,15,5-Tetrafluoro-2-oxopentane-1,5-bisphosphonic ...)
Show SMILES [O-]P([O-])(=O)C(F)(F)CCC(=O)C(F)(F)P([O-])([O-])=O
Show InChI InChI=1S/C5H8F4O7P2/c6-4(7,17(11,12)13)2-1-3(10)5(8,9)18(14,15)16/h1-2H2,(H2,11,12,13)(H2,14,15,16)/p-4
PDB
MMDB

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Similars

Article
PubMed
n/an/an/a 5.00E+3n/an/an/an/an/a



University of Sheffield

Curated by ChEMBL


Assay Description
Dissociation constant of phosphoglycerate kinase (PGK) at pH (3.0-11.0) was determined


J Med Chem 41: 4439-52 (1998)


Article DOI: 10.1021/jm970839y
BindingDB Entry DOI: 10.7270/Q2BR8SV2
More data for this
Ligand-Target Pair
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