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Compile Data Set for Download or QSAR

Found 69 hits with Last Name = 'blackburn' and Initial = 'gm'   
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 (Human))		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)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		BDBM50216723
PNG
(CHEMBL150369)
Show SMILES OP(O)(=O)C(F)(F)c1cccc(c1)C(F)(F)P(O)(O)=O
Show InChI InChI=1S/C8H8F4O6P2/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 960n/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)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		BDBM50216726
PNG
(CHEMBL149786)
Show SMILES OP(O)(=O)C(F)c1ccc(cc1)C(F)P(O)(O)=O
Show InChI InChI=1S/C8H10F2O6P2/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 1.15E+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)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		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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n/an/a 1.34E+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)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		BDBM50216722
PNG
(CHEMBL149115)
Show SMILES OP(O)(=O)Cc1cccc(c1)C(Cl)P(O)(O)=O
Show InChI InChI=1S/C8H11ClO6P2/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 8.00E+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)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		BDBM50216720
PNG
(CHEMBL149998)
Show SMILES OP(O)(=O)C(F)c1cccc(c1)P(O)(O)=O
Show InChI InChI=1S/C7H9FO6P2/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 1.60E+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)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		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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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)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		BDBM50216725
PNG
(CHEMBL149333)
Show SMILES OP(O)(=O)Cc1cccc(c1)P(O)(O)=O
Show InChI InChI=1S/C7H10O6P2/c8-14(9,10)5-6-2-1-3-7(4-6)15(11,12)13/h1-4H,5H2,(H2,8,9,10)(H2,11,12,13)
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n/an/a 1.38E+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)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		BDBM50216721
PNG
(CHEMBL149259)
Show SMILES OP(O)(=O)Cc1cccc(CP(O)(O)=O)c1F
Show InChI InChI=1S/C8H11FO6P2/c9-8-6(4-16(10,11)12)2-1-3-7(8)5-17(13,14)15/h1-3H,4-5H2,(H2,10,11,12)(H2,13,14,15)
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n/an/a 1.47E+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)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		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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n/an/a 1.82E+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)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		BDBM50216718
PNG
(CHEMBL358865)
Show SMILES OP(O)(=O)Cc1ccc(CP(O)(O)=O)cc1
Show InChI InChI=1S/C8H12O6P2/c9-15(10,11)5-7-1-2-8(4-3-7)6-16(12,13)14/h1-4H,5-6H2,(H2,9,10,11)(H2,12,13,14)
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n/an/a 1.93E+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)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		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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n/an/a 2.00E+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)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase


(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


(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


(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


(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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Article
PubMed
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


(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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UniChem
Article
PubMed
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
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