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Compile Data Set for Download or QSAR

Found 164 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 (Human))
BDBM50469690
PNG
(CHEMBL85343)
Show SMILES OP(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)
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n/an/an/a 2.00E+3n/an/an/an/an/a


TBA

Assay Description
Equilibrium binding affinity against histamine-62 residue of phosphoglycerokinase in yeast


Citation and Details
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Saccharomyces cerevisiae)
BDBM50067790
PNG
(1,1-Difluoro-4-oxo-3-azapentane-1,5-bisphosphonic ...)
Show SMILES [O-]P([O-])(=O)CC(=O)NCC(F)(F)P([O-])([O-])=O
Show InChI InChI=1S/C4H9F2NO7P2/c5-4(6,16(12,13)14)2-7-3(8)1-15(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 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)
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)
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


(Homo sapiens (Human))
BDBM50469693
PNG
(CHEMBL88020)
Show SMILES OP(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)
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n/an/an/a 4.00E+3n/an/an/an/an/a


TBA

Assay Description
Equilibrium binding affinity against histamine-167 residue of phosphoglycerokinase in yeast


Citation and Details
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)
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


(Homo sapiens (Human))
BDBM50469690
PNG
(CHEMBL85343)
Show SMILES OP(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)
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n/an/an/a 4.00E+3n/an/an/an/an/a


TBA

Assay Description
Equilibrium binding affinity against histamine-167 residue of phosphoglycerokinase in yeast


Citation and Details
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
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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
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


(Homo sapiens (Human))
BDBM50469690
PNG
(CHEMBL85343)
Show SMILES OP(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)
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n/an/an/a 7.00E+3n/an/an/an/an/a


TBA

Assay Description
Equilibrium binding affinity against histamine-170 residue of phosphoglycerokinase in yeast


Citation and Details
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))
BDBM50469693
PNG
(CHEMBL88020)
Show SMILES OP(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)
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n/an/an/a 7.00E+3n/an/an/an/an/a


TBA

Assay Description
Equilibrium binding affinity against histamine-170 residue of phosphoglycerokinase in yeast


Citation and Details
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))
BDBM50469693
PNG
(CHEMBL88020)
Show SMILES OP(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)
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n/an/an/a 8.00E+3n/an/an/an/an/a


TBA

Assay Description
Equilibrium binding affinity against histamine-62 residue of phosphoglycerokinase in yeast


Citation and Details
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))
BDBM50216222
PNG
(CHEMBL609443)
Show SMILES OP(O)(=O)C(F)(F)CCCC(F)(F)P(O)(=O)OP(O)(=O)OCc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1/C12H16F4NO11P3/c13-11(14,29(20,21)22)6-1-7-12(15,16)30(23,24)28-31(25,26)27-8-9-2-4-10(5-3-9)17(18)19/h2-5H,1,6-8H2,(H,23,24)(H,25,26)(H2,20,21,22)
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n/an/an/a 1.30E+4n/an/an/an/an/a



University of Sheffield

Curated by ChEMBL


Assay Description
Dissociation constant for binding with Phosphoglycerate kinase (PGK) enzyme is evaluated


Bioorg Med Chem Lett 8: 2603-8 (1998)


Article DOI: 10.1016/s0960-894x(98)00466-1
BindingDB Entry DOI: 10.7270/Q2QV3PP4
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


(Homo sapiens (Human))
BDBM50469692
PNG
(CHEMBL87319)
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)
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n/an/an/a 6.60E+4n/an/an/an/an/a


TBA

Assay Description
Equilibrium binding affinity against histamine-170 residue of phosphoglycerokinase in yeast


Citation and Details
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))
BDBM50469692
PNG
(CHEMBL87319)
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)
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n/an/an/a 7.10E+4n/an/an/an/an/a


TBA

Assay Description
Equilibrium binding affinity against histamine-167 residue of phosphoglycerokinase in yeast


Citation and Details
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)
BDBM50067788
PNG
(1,1-Difluoro-2-oxopentane-1,5-bisphosphonic Acid)
Show SMILES [O-]P([O-])(=O)CCCC(=O)C(F)(F)P([O-])([O-])=O
Show InChI InChI=1S/C5H10F2O7P2/c6-5(7,16(12,13)14)4(8)2-1-3-15(9,10)11/h1-3H2,(H2,9,10,11)(H2,12,13,14)/p-4
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n/an/an/a 7.60E+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


(Homo sapiens (Human))
BDBM50469692
PNG
(CHEMBL87319)
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)
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n/an/an/a 8.00E+4n/an/an/an/an/a


TBA

Assay Description
Equilibrium binding affinity against histamine-62 residue of phosphoglycerokinase in yeast


Citation and Details
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))
BDBM50469695
PNG
(CHEBI:17050 | CHEMBL87788)
Show SMILES OC(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)
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n/an/an/a 9.40E+4n/an/an/an/an/a


TBA

Assay Description
Equilibrium binding affinity against histamine-167 residue of phosphoglycerokinase in yeast


Citation and Details
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))
BDBM50216218
PNG
(3-PHOSPHOGLYCERIC ACID | 3-Phosphoglycerate | CHEB...)
Show SMILES O[C@H](COP(O)(O)=O)C(O)=O
Show InChI InChI=1/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/s2
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n/an/an/a 1.09E+5n/an/an/an/an/a



University of Sheffield

Curated by ChEMBL


Assay Description
Dissociation constant for binding with Phosphoglycerate kinase (PGK) enzyme is evaluated


Bioorg Med Chem Lett 8: 2603-8 (1998)


Article DOI: 10.1016/s0960-894x(98)00466-1
BindingDB Entry DOI: 10.7270/Q2QV3PP4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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


(Homo sapiens (Human))
BDBM50469695
PNG
(CHEBI:17050 | CHEMBL87788)
Show SMILES OC(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)
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n/an/an/a 1.12E+5n/an/an/an/an/a


TBA

Assay Description
Equilibrium binding affinity against histamine-62 residue of phosphoglycerokinase in yeast


Citation and Details
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))
BDBM50216219
PNG
(CHEMBL87680)
Show SMILES OP(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)
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n/an/an/a 1.19E+5n/an/an/an/an/a


TBA

Assay Description
Equilibrium binding affinity against histamine-167 residue of phosphoglycerokinase in yeast


Citation and Details
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))
BDBM50216220
PNG
(CHEMBL1160564)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)CCOCCP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1/C14H24N5O13P3/c15-12-9-13(17-6-16-12)19(7-18-9)14-11(21)10(20)8(31-14)5-30-35(27,28)32-34(25,26)4-2-29-1-3-33(22,23)24/h6-8,10-11,14,20-21H,1-5H2,(H,25,26)(H,27,28)(H2,15,16,17)(H2,22,23,24)/t8-,10-,11-,14-/s2
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n/an/an/a 1.20E+5n/an/an/an/an/a



University of Sheffield

Curated by ChEMBL


Assay Description
Dissociation constant for binding with Phosphoglycerate kinase (PGK) enzyme is evaluated


Bioorg Med Chem Lett 8: 2603-8 (1998)


Article DOI: 10.1016/s0960-894x(98)00466-1
BindingDB Entry DOI: 10.7270/Q2QV3PP4
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))
BDBM50469695
PNG
(CHEBI:17050 | CHEMBL87788)
Show SMILES OC(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)
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n/an/an/a 1.21E+5n/an/an/an/an/a


TBA

Assay Description
Equilibrium binding affinity against histamine-170 residue of phosphoglycerokinase in yeast


Citation and Details
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))
BDBM50469694
PNG
(CHEMBL405690)
Show SMILES OP(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)
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n/an/an/a 1.26E+5n/an/an/an/an/a


TBA

Assay Description
Equilibrium binding affinity against histamine-62 residue of phosphoglycerokinase in yeast


Citation and Details
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


(Homo sapiens (Human))
BDBM50216219
PNG
(CHEMBL87680)
Show SMILES OP(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)
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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 for binding with Phosphoglycerate kinase (PGK) enzyme is evaluated


Bioorg Med Chem Lett 8: 2603-8 (1998)


Article DOI: 10.1016/s0960-894x(98)00466-1
BindingDB Entry DOI: 10.7270/Q2QV3PP4
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))
BDBM50216219
PNG
(CHEMBL87680)
Show SMILES OP(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)
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n/an/an/a 1.60E+5n/an/an/an/an/a


TBA

Assay Description
Equilibrium binding affinity against histamine-170 residue of phosphoglycerokinase in yeast


Citation and Details
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))
BDBM50469694
PNG
(CHEMBL405690)
Show SMILES OP(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)
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n/an/an/a 2.53E+5n/an/an/an/an/a


TBA

Assay Description
Equilibrium binding affinity against histamine-167 residue of phosphoglycerokinase in yeast


Citation and Details
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


(Homo sapiens (Human))
BDBM50216219
PNG
(CHEMBL87680)
Show SMILES OP(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)
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n/an/an/a 3.03E+5n/an/an/an/an/a


TBA

Assay Description
Equilibrium binding affinity against histamine-62 residue of phosphoglycerokinase in yeast


Citation and Details
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))
BDBM50469694
PNG
(CHEMBL405690)
Show SMILES OP(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)
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n/an/an/a 3.31E+5n/an/an/an/an/a


TBA

Assay Description
Equilibrium binding affinity against histamine-170 residue of phosphoglycerokinase in yeast


Citation and Details
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))
BDBM50469691
PNG
(CHEMBL85883)
Show SMILES OP(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)
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n/an/an/a 4.20E+5n/an/an/an/an/a


TBA

Assay Description
Equilibrium binding affinity against histamine-62 residue of phosphoglycerokinase in yeast


Citation and Details
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))
BDBM50469691
PNG
(CHEMBL85883)
Show SMILES OP(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)
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n/an/an/a 4.81E+5n/an/an/an/an/a


TBA

Assay Description
Equilibrium binding affinity against histamine-170 residue of phosphoglycerokinase in yeast


Citation and Details
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))
BDBM50469691
PNG
(CHEMBL85883)
Show SMILES OP(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)
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n/an/an/a 5.43E+5n/an/an/an/an/a


TBA

Assay Description
Equilibrium binding affinity against histamine-167 residue of phosphoglycerokinase in yeast


Citation and Details
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


(Homo sapiens (Human))
BDBM50469696
PNG
(CHEMBL87468)
Show SMILES OP(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)
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n/an/an/a 6.80E+5n/an/an/an/an/a


TBA

Assay Description
Equilibrium binding affinity against histamine-170 residue of phosphoglycerokinase in yeast


Citation and Details
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))
BDBM50469696
PNG
(CHEMBL87468)
Show SMILES OP(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)
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n/an/an/a 9.20E+5n/an/an/an/an/a


TBA

Assay Description
Equilibrium binding affinity against histamine-62 residue of phosphoglycerokinase in yeast


Citation and Details
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)
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


(Homo sapiens (Human))
BDBM50469697
PNG
(CHEMBL88001 | Pentane-1,5-Bisphosphonic Acid)
Show SMILES OP(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)
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n/an/an/a 1.30E+6n/an/an/an/an/a


TBA

Assay Description
Equilibrium binding affinity against histamine-62 residue of phosphoglycerokinase in yeast


Citation and Details
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))
BDBM50469696
PNG
(CHEMBL87468)
Show SMILES OP(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)
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n/an/an/a 1.32E+6n/an/an/an/an/a


TBA

Assay Description
Equilibrium binding affinity against histamine-167 residue of phosphoglycerokinase in yeast


Citation and Details
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


(Homo sapiens (Human))
BDBM50216221
PNG
(CHEMBL87078)
Show SMILES OP(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)
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n/an/an/a 4.12E+6n/an/an/an/an/a


TBA

Assay Description
Equilibrium binding affinity against histamine-170 residue of phosphoglycerokinase in yeast


Citation and Details
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))
BDBM50216221
PNG
(CHEMBL87078)
Show SMILES OP(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)
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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 for binding with Phosphoglycerate kinase (PGK) enzyme is evaluated


Bioorg Med Chem Lett 8: 2603-8 (1998)


Article DOI: 10.1016/s0960-894x(98)00466-1
BindingDB Entry DOI: 10.7270/Q2QV3PP4
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


(Homo sapiens (Human))
BDBM50216221
PNG
(CHEMBL87078)
Show SMILES OP(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)
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n/an/an/a 5.88E+6n/an/an/an/an/a


TBA

Assay Description
Equilibrium binding affinity against histamine-167 residue of phosphoglycerokinase in yeast


Citation and Details
More data for this
Ligand-Target Pair
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