BDBM50246594 (+/-)-7-((1-hydroxy-3-(methylthio)propan-2-ylamino)methyl)-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one::CHEMBL462398::US9290501, MT-SerMe-ImmH

SMILES CSCC(CO)NCc1c[nH]c2c1nc[nH]c2=O

InChI Key InChIKey=CHAYSRLWZZJIPO-UHFFFAOYSA-N

Data  4 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50246594   

TargetS-methyl-5'-thioinosine phosphorylase(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
Albert Einstein College of Medicine

US Patent
LigandPNGBDBM50246594((+/-)-7-((1-hydroxy-3-(methylthio)propan-2-ylamino...)
Affinity DataKi:  0.0960nM ΔG°:  -13.7kcal/molepH: 7.4 T: 2°CAssay 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
In Depth
Date in BDB:
3/21/2017
Entry Details
Go to US Patent

TargetS-methyl-5'-thioinosine phosphorylase(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
Albert Einstein College of Medicine

US Patent
LigandPNGBDBM50246594((+/-)-7-((1-hydroxy-3-(methylthio)propan-2-ylamino...)
Affinity DataKi:  0.0960nM ΔG°:  -13.7kcal/molepH: 7.4 T: 2°CAssay 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
In Depth
Date in BDB:
3/21/2017
Entry Details
Go to US Patent

TargetS-methyl-5'-thioinosine phosphorylase(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
Albert Einstein College of Medicine

US Patent
LigandPNGBDBM50246594((+/-)-7-((1-hydroxy-3-(methylthio)propan-2-ylamino...)
Affinity DataKi:  0.720nM ΔG°:  -12.5kcal/molepH: 7.4 T: 2°CAssay 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
In Depth
Date in BDB:
3/21/2017
Entry Details
Go to US Patent

TargetPurine nucleoside phosphorylase(Human)
Albert Einstein College of Medicine of Yeshiva University

Curated by ChEMBL
LigandPNGBDBM50246594((+/-)-7-((1-hydroxy-3-(methylthio)propan-2-ylamino...)
Affinity DataKi:  4.30nMAssay Description:Initial binding affinity to wild type human PNPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2012
Entry Details Article
PubMed