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BDBM50330325 2,2',2'',2'''-(ethane-1,2-diylbis(azanetriyl))tetraacetic acid::CHEMBL858::Edetate::Edetic Acid::[{2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino]acetic acid::edta::{[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID::{[2-(Bis-carboxymethyl-amino)-ethyl]-carboxymethyl-amino}-acetic acid::{[2-(Bis-carboxymethyl-amino)-ethyl]-carboxymethyl-amino}-acetic acid(EDTA)

SMILES: OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O

InChI Key: InChIKey=KCXVZYZYPLLWCC-UHFFFAOYSA-N

Data: 4 IC50

PDB links: 10 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50330325   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-lactamase VIM-1


(Pseudomonas aeruginosa)
BDBM50330325
PNG
(2,2',2'',2'''-(ethane-1,2-diylbis(azanetriyl))tetr...)
Show SMILES OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O
Show InChI InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
PDB
MMDB

KEGG

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CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/a 9.30E+3n/an/an/an/an/an/a



Hospital Son Dureta

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa VIM-1 beta-lactamase after 10 mins


Antimicrob Agents Chemother 52: 3589-96 (2008)

More data for this
Ligand-Target Pair
β-lactamase (Bla2)


(Bacillus anthracis)
BDBM50330325
PNG
(2,2',2'',2'''-(ethane-1,2-diylbis(azanetriyl))tetr...)
Show SMILES OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O
Show InChI InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
PDB

UniProtKB/TrEMBL

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Article
PubMed
n/an/a 1.06E+6n/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis MBL Bla2 using nitrocefin as substrate after 12 hrs by UV-spectrophotometric analysis


Bioorg Med Chem Lett 22: 6229-32 (2012)

More data for this
Ligand-Target Pair
metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM50330325
PNG
(2,2',2'',2'''-(ethane-1,2-diylbis(azanetriyl))tetr...)
Show SMILES OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O
Show InChI InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
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MMDB

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CHEMBL
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PC sid
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Article
PubMed
n/an/a 2.79E+4n/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant Pseudomonas aeruginosa MBL IMP-1 using nitrocefin as substrate after 12 hrs by UV-spectrophotometric analysis


Bioorg Med Chem Lett 22: 6229-32 (2012)

More data for this
Ligand-Target Pair
Class B carbapenemase VIM-13


(Pseudomonas aeruginosa)
BDBM50330325
PNG
(2,2',2'',2'''-(ethane-1,2-diylbis(azanetriyl))tetr...)
Show SMILES OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O
Show InChI InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.53E+5n/an/an/an/an/an/a



Hospital Son Dureta

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa VIM-13 beta-lactamase after 10 mins


Antimicrob Agents Chemother 52: 3589-96 (2008)

More data for this
Ligand-Target Pair