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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Class B carbapenemase VIM-13'   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Class B carbapenemase VIM-13


(Pseudomonas aeruginosa)
BDBM26116
PNG
(CHEMBL284104 | Dipicolinate | pyridine carboxylate...)
Show SMILES OC(=O)c1cccc(n1)C(O)=O
Show InChI InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
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CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

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AffyNet 
Article
PubMed
n/an/a 4.80E+4n/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


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


(Pseudomonas aeruginosa)
BDBM50092158
PNG
(1,10-phenanthroline | CHEMBL415879 | US9187406, 1,...)
Show SMILES c1cnc2c(c1)ccc1cccnc21
Show InChI InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
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CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


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AffyNet 
Article
PubMed
n/an/a 6.93E+4n/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


Citation and Details
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

AffyNet 
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


Citation and Details
More data for this
Ligand-Target Pair