BDBM50335563 (6R,7R)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-(2-(thiophen-2-yl)acetamido)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid::(6R,7S)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-(2-(thiophen-2-yl)acetamido)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid::(6R,7S)-3-Carbamoyloxymethyl-7-methoxy-8-oxo-7-(2-thiophen-2-yl-acetylamino)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid::(6R,7S)-4-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-(2-(thiophen-2-yl)acetamido)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid::(6S,7R)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-(2-(thiophen-2-yl)acetamido)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid::(6S,7R)-4-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-(2-(thiophen-2-yl)acetamido)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid::3-Carbamoyloxymethyl-7-methoxy-8-oxo-7-(2-thiophen-2-yl-acetylamino)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid::3-Carbamoyloxymethyl-7-methoxy-8-oxo-7-(2-thiophen-2-yl-acetylamino)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid anion::3-Carbamoyloxymethyl-7-methoxy-8-oxo-7-(2-thiophen-3-yl-acetylamino)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid anion::CHEMBL996::Cefoxitin::Cefoxotin::Cenomycin::Mefoxin::Mefoxitin

SMILES CO[C@]1(NC(=O)Cc2cccs2)[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O

InChI Key InChIKey=WZOZEZRFJCJXNZ-ZBFHGGJFSA-N

Data  3 KI  1 IC50  1 Kd  1 ITC

PDB links: 1 PDB ID matches 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 5 hits for monomerid = 50335563   

TargetBeta-lactamase(Acinetobacter baumannii)
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50335563((6R,7R)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-(...)
Affinity DataKi:  100nMAssay Description:Activity of Acinetobacter baumannii ADC-33 beta-lactamaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-lactamase(Acinetobacter baumannii)
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50335563((6R,7R)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-(...)
Affinity DataKi:  500nMAssay Description:Activity of Acinetobacter baumannii ADC-11 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
LigandPNGBDBM50335563((6R,7R)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-(...)
Affinity DataKi:  1.00E+7nMAssay Description:Binding affinity against membrane transport protein PEPT1 in human Caco-2 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 22 member 8(Mus musculus)
Wilkes University

Curated by ChEMBL
LigandPNGBDBM50335563((6R,7R)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-(...)
Affinity DataIC50:  5.70E+4nMAssay Description:Inhibition of mouse OAT3 expressed in CHO cells assessed as inhibition of fluorescein uptake over 20 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetN-acetyltransferase domain-containing protein(Pseudomonas aeruginosa)
University Of Virginia

LigandPNGBDBM50335563((6R,7R)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-(...)
Affinity DataKd:  4.93E+4nMpH: 7.5 T: 2°CAssay Description:Isothermal titration calorimetry (ITC) measurements were performed at 25 °C using an iTC200 calorimeter (MicroCal). Preparations of purified pr...More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 50335563   

SyringePNGBDBM50335563((6R,7R)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-(...)
ITC DataΔG°: -5.89kcal/mole −TΔS°: 7.42kcal/mole ΔH°: -13.3kcal/mole logk: 2.09E+4
pH: 7.5 T: 25.00°C