BDBM50240426 (2S,5R,6R)-6-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid::6beta-{(2R)-2-[(4-ethyl-2,3-dioxopiperazin-1-yl)carboxamido]-2-phenylacetamido}-2,2-dimethylpenam-3alpha-carboxylic acid::CHEMBL702::Piperacillin::Piperacillin anhydrous

SMILES CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)c2ccccc2)C(=O)C1=O

InChI Key InChIKey=IVBHGBMCVLDMKU-GXNBUGAJSA-N

Data  2 KI  3 IC50

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 5 hits for monomerid = 50240426   

TargetBeta-lactamase(Citrobacter freundii)
Universidad De Buenos Aires

Curated by ChEMBL
LigandPNGBDBM50240426((2S,5R,6R)-6-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazi...)
Affinity DataKi:  200nMAssay Description:Inhibition of Citrobacter freundii PER2 beta lactamaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 15 member 1(Homo sapiens (Human))
Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL
LigandPNGBDBM50240426((2S,5R,6R)-6-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazi...)
Affinity DataKi: >3.00E+7nMAssay Description:Binding affinity against membrane transport protein PEPT1 in human Caco-2 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50240426((2S,5R,6R)-6-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazi...)
Affinity DataIC50:  1.23E+6nMAssay Description:Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunitsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50240426((2S,5R,6R)-6-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazi...)
Affinity DataIC50:  1.97E+5nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeptidoglycan D,D-transpeptidase FtsI(Pseudomonas aeruginosa)
University of Oxford

LigandPNGBDBM50240426((2S,5R,6R)-6-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazi...)
Affinity DataIC50:  166nMpH: 7.2 T: 2°CAssay Description:An appropriate amount of enzyme (4uM) was pre-incubated with the (5R)- or 5(S)-penicilloic acid in the assay buffer (50mM HEPES-NaOH buffer (pH 7.2) ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed