BDBM50511223 CHEMBL4589187

SMILES C1[C@@H]([C@H]([C@@H](CN1)O)O)C(=O)O

InChI Key InChIKey=SSMLJUWXZFXWSF-UHFFFAOYSA-N

Data  4 KI

PDB links: 7 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50511223   

TargetBeta-glucuronidase(Escherichia coli (strain K12))
Academia Sinica

Curated by ChEMBL
LigandPNGBDBM50511223(CHEMBL4589187)
Affinity DataKi:  12nMAssay Description:Inhibition of Escherichia coli GUS pre-incubated for 5 to 30 mins before 4-methylumbelliferone beta-D-glucuronide substrate addition at pH 6.7More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBeta-glucuronidase(Bovine)
Academia Sinica

Curated by ChEMBL
LigandPNGBDBM50511223(CHEMBL4589187)
Affinity DataKi:  12nMAssay Description:Inhibition of bovine GUS pre-incubated for 5 to 30 mins before 4-methylumbelliferone beta-D-glucuronide substrate addition at pH 6.7More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetBeta-glucuronidase(Escherichia coli (strain K12))
Academia Sinica

Curated by ChEMBL
LigandPNGBDBM50511223(CHEMBL4589187)
Affinity DataKi:  34nMAssay Description:Inhibition of Escherichia coli GUS pre-incubated for 5 to 30 mins before 4-methylumbelliferone beta-D-glucuronide substrate addition at pH 5.5More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBeta-glucuronidase(Bovine)
Academia Sinica

Curated by ChEMBL
LigandPNGBDBM50511223(CHEMBL4589187)
Affinity DataKi:  48nMAssay Description:Inhibition of bovine GUS pre-incubated for 5 to 30 mins before 4-methylumbelliferone beta-D-glucuronide substrate addition at pH 4.5More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed