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Compile Data Set for Download or QSAR

Found 106 hits of ic50 for UniProtKB: P00558   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
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))		BDBM50367883
PNG
(CHEMBL605451)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCc3ccccc3)nc(NCCc3ccccc3)nc12 |r|
Show InChI InChI=1S/C26H30N6O4/c33-15-19-21(34)22(35)25(36-19)32-16-29-20-23(27-13-11-17-7-3-1-4-8-17)30-26(31-24(20)32)28-14-12-18-9-5-2-6-10-18/h1-10,16,19,21-22,25,33-35H,11-15H2,(H2,27,28,30,31)/t19-,21-,22-,25?/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
evaluated for the inhibition of Trypanosoma brucei Phosphoglycerate kinase (PGK)

J Med Chem 43: 4135-50 (2000)


Article DOI: 10.1021/jm000287a
BindingDB Entry DOI: 10.7270/Q2TB19N4
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		BDBM50472926
PNG
(CHEMBL607503)
Show SMILES Nc1nc(NCCCNc2nc(N)nc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncn(C3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1 |r|
Show InChI InChI=1S/C23H32N12O8/c24-22-30-16(10-18(32-22)34(6-28-10)20-14(40)12(38)8(4-36)42-20)26-2-1-3-27-17-11-19(33-23(25)31-17)35(7-29-11)21-15(41)13(39)9(5-37)43-21/h6-9,12-15,20-21,36-41H,1-5H2,(H3,24,26,30,32)(H3,25,27,31,33)/t8-,9+,12-,13+,14-,15+,20?,21?
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n/an/a 5.00E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
evaluated for the inhibition of Trypanosoma brucei Phosphoglycerate kinase (PGK)

J Med Chem 43: 4135-50 (2000)


Article DOI: 10.1021/jm000287a
BindingDB Entry DOI: 10.7270/Q2TB19N4
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))		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))		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))		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))		BDBM50472964
PNG
(CHEMBL608669)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCc3ccccc3)nc(NCCc3ccc(O)cc3)nc12 |r|
Show InChI InChI=1S/C26H30N6O5/c33-14-19-21(35)22(36)25(37-19)32-15-29-20-23(27-12-10-16-4-2-1-3-5-16)30-26(31-24(20)32)28-13-11-17-6-8-18(34)9-7-17/h1-9,15,19,21-22,25,33-36H,10-14H2,(H2,27,28,30,31)/t19-,21-,22-,25?/m1/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
evaluated for the inhibition of Trypanosoma brucei Phosphoglycerate kinase (PGK)

J Med Chem 43: 4135-50 (2000)


Article DOI: 10.1021/jm000287a
BindingDB Entry DOI: 10.7270/Q2TB19N4
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		BDBM50472923
PNG
(CHEMBL608967)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCc3ccc(O)cc3)nc(NCCc3ccccc3)nc12 |r|
Show InChI InChI=1S/C26H30N6O5/c33-14-19-21(35)22(36)25(37-19)32-15-29-20-23(27-12-10-17-6-8-18(34)9-7-17)30-26(31-24(20)32)28-13-11-16-4-2-1-3-5-16/h1-9,15,19,21-22,25,33-36H,10-14H2,(H2,27,28,30,31)/t19-,21-,22-,25?/m1/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
evaluated for the inhibition of Trypanosoma brucei Phosphoglycerate kinase (PGK)

J Med Chem 43: 4135-50 (2000)


Article DOI: 10.1021/jm000287a
BindingDB Entry DOI: 10.7270/Q2TB19N4
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))		BDBM50472929
PNG
(CHEMBL611861)
Show SMILES Nc1nc(NCCc2ccc(O)cc2)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
Show InChI InChI=1S/C18H22N6O5/c19-18-22-15(20-6-5-9-1-3-10(26)4-2-9)12-16(23-18)24(8-21-12)17-14(28)13(27)11(7-25)29-17/h1-4,8,11,13-14,17,25-28H,5-7H2,(H3,19,20,22,23)/t11-,13-,14-,17?/m1/s1
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n/an/a 1.30E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
evaluated for the inhibition of Trypanosoma brucei Phosphoglycerate kinase (PGK)

J Med Chem 43: 4135-50 (2000)


Article DOI: 10.1021/jm000287a
BindingDB Entry DOI: 10.7270/Q2TB19N4
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 1


(Homo sapiens (Human))		BDBM50472967
PNG
(CHEMBL610674)
Show SMILES Cc1ccc(CCNc2nc(N)nc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C19H24N6O4/c1-10-2-4-11(5-3-10)6-7-21-16-13-17(24-19(20)23-16)25(9-22-13)18-15(28)14(27)12(8-26)29-18/h2-5,9,12,14-15,18,26-28H,6-8H2,1H3,(H3,20,21,23,24)/t12-,14-,15-,18?/m1/s1
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n/an/a 2.00E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
evaluated for the inhibition of Trypanosoma brucei Phosphoglycerate kinase (PGK)

J Med Chem 43: 4135-50 (2000)


Article DOI: 10.1021/jm000287a
BindingDB Entry DOI: 10.7270/Q2TB19N4
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		BDBM50472939
PNG
(CHEMBL609837)
Show SMILES Nc1nc(NCCc2ccccc2)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
Show InChI InChI=1S/C18H22N6O4/c19-18-22-15(20-7-6-10-4-2-1-3-5-10)12-16(23-18)24(9-21-12)17-14(27)13(26)11(8-25)28-17/h1-5,9,11,13-14,17,25-27H,6-8H2,(H3,19,20,22,23)/t11-,13-,14-,17?/m1/s1
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n/an/a 2.00E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
evaluated for the inhibition of Trypanosoma brucei Phosphoglycerate kinase (PGK)

J Med Chem 43: 4135-50 (2000)


Article DOI: 10.1021/jm000287a
BindingDB Entry DOI: 10.7270/Q2TB19N4
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		BDBM50472963
PNG
(CHEMBL608959)
Show SMILES Nc1nc(NCCc2cccc(O)c2)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
Show InChI InChI=1S/C18H22N6O5/c19-18-22-15(20-5-4-9-2-1-3-10(26)6-9)12-16(23-18)24(8-21-12)17-14(28)13(27)11(7-25)29-17/h1-3,6,8,11,13-14,17,25-28H,4-5,7H2,(H3,19,20,22,23)/t11-,13-,14-,17?/m1/s1
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n/an/a 2.50E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
evaluated for the inhibition of Trypanosoma brucei Phosphoglycerate kinase (PGK)

J Med Chem 43: 4135-50 (2000)


Article DOI: 10.1021/jm000287a
BindingDB Entry DOI: 10.7270/Q2TB19N4
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		BDBM50472935
PNG
(CHEMBL609551)
Show SMILES Nc1nc(NCCc2ccc(O)c(O)c2)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
Show InChI InChI=1S/C18H22N6O6/c19-18-22-15(20-4-3-8-1-2-9(26)10(27)5-8)12-16(23-18)24(7-21-12)17-14(29)13(28)11(6-25)30-17/h1-2,5,7,11,13-14,17,25-29H,3-4,6H2,(H3,19,20,22,23)/t11-,13-,14-,17?/m1/s1
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n/an/a 2.50E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
evaluated for the inhibition of Trypanosoma brucei Phosphoglycerate kinase (PGK)

J Med Chem 43: 4135-50 (2000)


Article DOI: 10.1021/jm000287a
BindingDB Entry DOI: 10.7270/Q2TB19N4
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		BDBM50472960
PNG
(CHEMBL609254)
Show SMILES Nc1ccc(CCNc2nc(N)nc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C18H23N7O4/c19-10-3-1-9(2-4-10)5-6-21-15-12-16(24-18(20)23-15)25(8-22-12)17-14(28)13(27)11(7-26)29-17/h1-4,8,11,13-14,17,26-28H,5-7,19H2,(H3,20,21,23,24)/t11-,13-,14-,17?/m1/s1
PDB

UniProtKB/SwissProt

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UniChem
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n/an/a 2.50E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
evaluated for the inhibition of Trypanosoma brucei Phosphoglycerate kinase (PGK)

J Med Chem 43: 4135-50 (2000)


Article DOI: 10.1021/jm000287a
BindingDB Entry DOI: 10.7270/Q2TB19N4
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		BDBM50472952
PNG
(CHEMBL609264)
Show SMILES Cc1cccc(CNc2nc(N)nc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)c1 |r|
Show InChI InChI=1S/C18H22N6O4/c1-9-3-2-4-10(5-9)6-20-15-12-16(23-18(19)22-15)24(8-21-12)17-14(27)13(26)11(7-25)28-17/h2-5,8,11,13-14,17,25-27H,6-7H2,1H3,(H3,19,20,22,23)/t11-,13-,14-,17?/m1/s1
PDB

UniProtKB/SwissProt

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n/an/a 4.00E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
evaluated for the inhibition of Trypanosoma brucei Phosphoglycerate kinase (PGK)

J Med Chem 43: 4135-50 (2000)


Article DOI: 10.1021/jm000287a
BindingDB Entry DOI: 10.7270/Q2TB19N4
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		BDBM50472949
PNG
(CHEMBL609552)
Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C18H22N6O5/c19-15-12-16(24(8-21-12)17-14(28)13(27)11(7-25)29-17)23-18(22-15)20-6-5-9-1-3-10(26)4-2-9/h1-4,8,11,13-14,17,25-28H,5-7H2,(H3,19,20,22,23)/t11-,13-,14-,17?/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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UniChem
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n/an/a 5.00E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
evaluated for the inhibition of Trypanosoma brucei Phosphoglycerate kinase (PGK)

J Med Chem 43: 4135-50 (2000)


Article DOI: 10.1021/jm000287a
BindingDB Entry DOI: 10.7270/Q2TB19N4
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))		BDBM50472940
PNG
(CHEMBL608084)
Show SMILES Nc1nc(NCCNc2nc(N)nc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncn(C3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1 |r|
Show InChI InChI=1S/C22H30N12O8/c23-21-29-15(9-17(31-21)33(5-27-9)19-13(39)11(37)7(3-35)41-19)25-1-2-26-16-10-18(32-22(24)30-16)34(6-28-10)20-14(40)12(38)8(4-36)42-20/h5-8,11-14,19-20,35-40H,1-4H2,(H3,23,25,29,31)(H3,24,26,30,32)/t7-,8+,11-,12+,13-,14+,19?,20?
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.00E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
evaluated for the inhibition of Trypanosoma brucei Phosphoglycerate kinase (PGK)

J Med Chem 43: 4135-50 (2000)


Article DOI: 10.1021/jm000287a
BindingDB Entry DOI: 10.7270/Q2TB19N4
More data for this
Ligand-Target Pair
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