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Compile Data Set for Download or QSAR

Found 6 hits of kd 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


(Homo sapiens)
BDBM50216217
PNG
(CHEMBL1160562)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)C(F)(F)CCCC(F)(F)P(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C15H22F4N5O12P3/c16-14(17,37(27,28)29)2-1-3-15(18,19)38(30,31)36-39(32,33)34-4-7-9(25)10(26)13(35-7)24-6-23-8-11(20)21-5-22-12(8)24/h5-7,9-10,13,25-26H,1-4H2,(H,30,31)(H,32,33)(H2,20,21,22)(H2,27,28,29)/t7-,9-,10-,13-/m1/s1
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Article
PubMed
n/an/an/a 6.00E+3n/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
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens)
BDBM50216218
PNG
(3-PHOSPHOGLYCERIC ACID | 3-Phosphoglycerate | CHEB...)
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)/t2-/m1/s1
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Article
PubMed
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
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphoglycerate kinase 1


(Homo sapiens)
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=1S/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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PubMed
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
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens)
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=1S/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-/m1/s1
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PubMed
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
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens)
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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Patents


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Article
PubMed
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
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens)
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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Article
PubMed
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
More data for this
Ligand-Target Pair