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Compile Data Set for Download or QSAR
maximum 50k data
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
4
hits in this display
Target
S-methyl-5'-thioinosine phosphorylase
(Pseudomonas aeruginosa)
Albert Einstein College of Medicine
US Patent
Ligand
BDBM50246594
((+/-)-7-((1-hydroxy-3-(methylthio)propan-2-ylamino...)
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Affinity Data
Ki: 0.0960nM ΔG°: -57.2kJ/mole
pH: 7.4 T: 2°C
Assay Description:
Assays for slow-onset inhibitors were carried out by adding 1 nM PaMTIP into reaction mixtures at 25 °C. containing 100 mM Hepes, pH 7.4, 100 mM ...
More data for this Ligand-Target Pair
Target Info
PDB
UniProtKB/SwissProt
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
US Patent
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Target
S-methyl-5'-thioinosine phosphorylase
(Pseudomonas aeruginosa)
Albert Einstein College of Medicine
US Patent
Ligand
BDBM50246594
((+/-)-7-((1-hydroxy-3-(methylthio)propan-2-ylamino...)
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Copy InChI
Affinity Data
Ki: 0.0960nM ΔG°: -57.2kJ/mole
pH: 7.4 T: 2°C
Assay Description:
Assays for slow-onset inhibitors were carried out by adding 1 nM PaMTIP into reaction mixtures at 25 °C. containing 100 mM Hepes, pH 7.4, 100 mM ...
More data for this Ligand-Target Pair
Target Info
PDB
UniProtKB/SwissProt
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
US Patent
Copy BDB DOI
Target
S-methyl-5'-thioinosine phosphorylase
(Pseudomonas aeruginosa)
Albert Einstein College of Medicine
US Patent
Ligand
BDBM50246594
((+/-)-7-((1-hydroxy-3-(methylthio)propan-2-ylamino...)
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Copy InChI
Affinity Data
Ki: 0.720nM ΔG°: -52.2kJ/mole
pH: 7.4 T: 2°C
Assay Description:
Assays for slow-onset inhibitors were carried out by adding 1 nM PaMTIP into reaction mixtures at 25 °C. containing 100 mM Hepes, pH 7.4, 100 mM ...
More data for this Ligand-Target Pair
Target Info
PDB
UniProtKB/SwissProt
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
US Patent
Copy BDB DOI
Target
Purine nucleoside phosphorylase
(Homo sapiens (Human))
Albert Einstein College Of Medicine Of Yeshiva University
Curated by
ChEMBL
Ligand
BDBM50246594
((+/-)-7-((1-hydroxy-3-(methylthio)propan-2-ylamino...)
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Copy InChI
Affinity Data
Ki: 4.30nM
Assay Description:
Initial binding affinity to wild type human PNP
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
PubMed
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