BDBM50215444 5-METHYL-7-(2-METHYLPROPYL)-2-(NAPHTHALEN-1-YLMETHYL)-3-PYRIDIN-4-YL-2H-PYRAZOLO[3,4-D]PYRIMIDINE-4,6(5H,7H)-DIONE::7-isobutyl-5-methyl-2-(1-naphthylmethyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidine-4,6-(5H,7H)-dione::7-isobutyl-5-methyl-2-(naphthalen-1-ylmethyl)-3-(pyridin-4-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione::CHEMBL401874

SMILES CC(C)Cn1c2nn(Cc3cccc4ccccc34)c(-c3ccncc3)c2c(=O)n(C)c1=O

InChI Key InChIKey=NNZDBCPMOOEFTE-UHFFFAOYSA-N

Data  4 IC50  2 Kd

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50215444   

TargetGlutamate racemase(Helicobacter pylori)
Astrazeneca R&D Boston

Curated by ChEMBL
LigandPNGBDBM50215444(5-METHYL-7-(2-METHYLPROPYL)-2-(NAPHTHALEN-1-YLMETH...)
Affinity DataIC50:  1.40E+3nMAssay Description:Inhibition of Helicobacter pylori MurIMore data for this Ligand-Target Pair
TargetGlutamate racemase(Helicobacter pylori)
Astrazeneca R&D Boston

Curated by ChEMBL
LigandPNGBDBM50215444(5-METHYL-7-(2-METHYLPROPYL)-2-(NAPHTHALEN-1-YLMETH...)
Affinity DataIC50:  1.40E+3nMAssay Description:Inhibition of Helicobacter pylori glutamate racemaseMore data for this Ligand-Target Pair
TargetGlutamate racemase(Helicobacter pylori J99)TBA
LigandPNGBDBM50215444(5-METHYL-7-(2-METHYLPROPYL)-2-(NAPHTHALEN-1-YLMETH...)
Affinity DataIC50:  1.40E+3nMAssay Description:Inhibition of Helicobacter pylori Glutamate racemaseMore data for this Ligand-Target Pair
TargetGlutamate racemase(Streptococcus pneumoniae)
Astrazeneca Global Structural Chemistry

Curated by ChEMBL
LigandPNGBDBM50215444(5-METHYL-7-(2-METHYLPROPYL)-2-(NAPHTHALEN-1-YLMETH...)
Affinity DataIC50: >4.00E+5nMAssay Description:Inhibition of MurI in Streptococcus pneumoniaeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlutamate racemase(Helicobacter pylori)
Astrazeneca R&D Boston

Curated by ChEMBL
LigandPNGBDBM50215444(5-METHYL-7-(2-METHYLPROPYL)-2-(NAPHTHALEN-1-YLMETH...)
Affinity DataKd:  2.90E+3nMAssay Description:Binding affinity to Helicobacter pylori MurI by isothermal titration calorimetryMore data for this Ligand-Target Pair
TargetGlutamate racemase(Helicobacter pylori)
Astrazeneca R&D Boston

Curated by ChEMBL
LigandPNGBDBM50215444(5-METHYL-7-(2-METHYLPROPYL)-2-(NAPHTHALEN-1-YLMETH...)
Affinity DataKd:  3.90E+3nMAssay Description:Binding affinity to Helicobacter pylori MurI by protein fluorescence binding assayMore data for this Ligand-Target Pair