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3 similar compounds to monomer 50170861

Compile data set for download or QSAR
Wt: 264.0
BDBM50067778
Wt: 300.0
BDBM50067782
Wt: 314.0
BDBM50067785

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50067778,50067782,50067785   
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


(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
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
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)
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
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

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 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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
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