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Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50005600   
Target/Host
(Institution)
LigandTarget/Host
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
Metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM50493102
PNG
(CHEMBL566579)
Show SMILES OC(=O)c1cccc(-c2ccc(O)cc2)c1C(O)=O
Show InChI InChI=1S/C14H10O5/c15-9-6-4-8(5-7-9)10-2-1-3-11(13(16)17)12(10)14(18)19/h1-7,15H,(H,16,17)(H,18,19)
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n/an/a 1.55E+3n/an/an/an/an/an/a



Meiji Seika Pharma, Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of carbapenems-resistant Pseudomonas aeruginosa MSC15369 metallo-beta-lactamase IMP1 expressed in Escherichia coli DH5[alpha] using nitroc...


Bioorg Med Chem 21: 5841-50 (2013)


Article DOI: 10.1016/j.bmc.2013.07.006
BindingDB Entry DOI: 10.7270/Q24X5BQM
More data for this
Ligand-Target Pair
Metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM50493088
PNG
(CHEMBL2420935)
Show SMILES OC(=O)c1cccc(OCCCc2ccccc2)c1C(O)=O
Show InChI InChI=1S/C17H16O5/c18-16(19)13-9-4-10-14(15(13)17(20)21)22-11-5-8-12-6-2-1-3-7-12/h1-4,6-7,9-10H,5,8,11H2,(H,18,19)(H,20,21)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Meiji Seika Pharma, Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of carbapenems-resistant Pseudomonas aeruginosa MSC15369 metallo-beta-lactamase IMP1 expressed in Escherichia coli DH5[alpha] using nitroc...


Bioorg Med Chem 21: 5841-50 (2013)


Article DOI: 10.1016/j.bmc.2013.07.006
BindingDB Entry DOI: 10.7270/Q24X5BQM
More data for this
Ligand-Target Pair
Metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM50493103
PNG
(CHEMBL2420934)
Show SMILES OC(=O)c1cccc(OCCCC2CCCCC2)c1C(O)=O
Show InChI InChI=1S/C17H22O5/c18-16(19)13-9-4-10-14(15(13)17(20)21)22-11-5-8-12-6-2-1-3-7-12/h4,9-10,12H,1-3,5-8,11H2,(H,18,19)(H,20,21)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Meiji Seika Pharma, Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of carbapenems-resistant Pseudomonas aeruginosa MSC15369 metallo-beta-lactamase IMP1 expressed in Escherichia coli DH5[alpha] using nitroc...


Bioorg Med Chem 21: 5841-50 (2013)


Article DOI: 10.1016/j.bmc.2013.07.006
BindingDB Entry DOI: 10.7270/Q24X5BQM
More data for this
Ligand-Target Pair
Metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM50493084
PNG
(CHEMBL2420944)
Show SMILES OCC1CCCN(C1)c1cccc(C(O)=O)c1C(O)=O
Show InChI InChI=1S/C14H17NO5/c16-8-9-3-2-6-15(7-9)11-5-1-4-10(13(17)18)12(11)14(19)20/h1,4-5,9,16H,2-3,6-8H2,(H,17,18)(H,19,20)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Meiji Seika Pharma, Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of carbapenems-resistant Pseudomonas aeruginosa MSC15369 metallo-beta-lactamase IMP1 expressed in Escherichia coli DH5[alpha] using nitroc...


Bioorg Med Chem 21: 5841-50 (2013)


Article DOI: 10.1016/j.bmc.2013.07.006
BindingDB Entry DOI: 10.7270/Q24X5BQM
More data for this
Ligand-Target Pair
Metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM50493083
PNG
(CHEMBL2420948)
Show SMILES OC(=O)c1cccc(N2CCC(O)(CC2)c2ccccc2)c1C(O)=O
Show InChI InChI=1S/C19H19NO5/c21-17(22)14-7-4-8-15(16(14)18(23)24)20-11-9-19(25,10-12-20)13-5-2-1-3-6-13/h1-8,25H,9-12H2,(H,21,22)(H,23,24)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Meiji Seika Pharma, Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of carbapenems-resistant Pseudomonas aeruginosa MSC15369 metallo-beta-lactamase IMP1 expressed in Escherichia coli DH5[alpha] using nitroc...


Bioorg Med Chem 21: 5841-50 (2013)


Article DOI: 10.1016/j.bmc.2013.07.006
BindingDB Entry DOI: 10.7270/Q24X5BQM
More data for this
Ligand-Target Pair
Metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM50493095
PNG
(CHEMBL2420946)
Show SMILES OCC1CCN(CC1)c1cccc(C(O)=O)c1C(O)=O
Show InChI InChI=1S/C14H17NO5/c16-8-9-4-6-15(7-5-9)11-3-1-2-10(13(17)18)12(11)14(19)20/h1-3,9,16H,4-8H2,(H,17,18)(H,19,20)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Meiji Seika Pharma, Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of carbapenems-resistant Pseudomonas aeruginosa MSC15369 metallo-beta-lactamase IMP1 expressed in Escherichia coli DH5[alpha] using nitroc...


Bioorg Med Chem 21: 5841-50 (2013)


Article DOI: 10.1016/j.bmc.2013.07.006
BindingDB Entry DOI: 10.7270/Q24X5BQM
More data for this
Ligand-Target Pair
Metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM50493082
PNG
(CHEMBL2420945)
Show SMILES OC1CCN(CC1)c1cccc(C(O)=O)c1C(O)=O
Show InChI InChI=1S/C13H15NO5/c15-8-4-6-14(7-5-8)10-3-1-2-9(12(16)17)11(10)13(18)19/h1-3,8,15H,4-7H2,(H,16,17)(H,18,19)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Meiji Seika Pharma, Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of carbapenems-resistant Pseudomonas aeruginosa MSC15369 metallo-beta-lactamase IMP1 expressed in Escherichia coli DH5[alpha] using nitroc...


Bioorg Med Chem 21: 5841-50 (2013)


Article DOI: 10.1016/j.bmc.2013.07.006
BindingDB Entry DOI: 10.7270/Q24X5BQM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM50493097
PNG
(CHEMBL2420943)
Show SMILES OC1CCCN(C1)c1cccc(C(O)=O)c1C(O)=O
Show InChI InChI=1S/C13H15NO5/c15-8-3-2-6-14(7-8)10-5-1-4-9(12(16)17)11(10)13(18)19/h1,4-5,8,15H,2-3,6-7H2,(H,16,17)(H,18,19)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Meiji Seika Pharma, Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of carbapenems-resistant Pseudomonas aeruginosa MSC15369 metallo-beta-lactamase IMP1 expressed in Escherichia coli DH5[alpha] using nitroc...


Bioorg Med Chem 21: 5841-50 (2013)


Article DOI: 10.1016/j.bmc.2013.07.006
BindingDB Entry DOI: 10.7270/Q24X5BQM
More data for this
Ligand-Target Pair
Metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM50493093
PNG
(CHEMBL2420941)
Show SMILES OC(=O)c1cccc(N2CCCC2)c1C(O)=O
Show InChI InChI=1S/C12H13NO4/c14-11(15)8-4-3-5-9(10(8)12(16)17)13-6-1-2-7-13/h3-5H,1-2,6-7H2,(H,14,15)(H,16,17)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Meiji Seika Pharma, Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of carbapenems-resistant Pseudomonas aeruginosa MSC15369 metallo-beta-lactamase IMP1 expressed in Escherichia coli DH5[alpha] using nitroc...


Bioorg Med Chem 21: 5841-50 (2013)


Article DOI: 10.1016/j.bmc.2013.07.006
BindingDB Entry DOI: 10.7270/Q24X5BQM
More data for this
Ligand-Target Pair
Metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM50493101
PNG
(CHEMBL2420949)
Show SMILES COC1CCN(CC1)c1cccc(C(O)=O)c1C(O)=O
Show InChI InChI=1S/C14H17NO5/c1-20-9-5-7-15(8-6-9)11-4-2-3-10(13(16)17)12(11)14(18)19/h2-4,9H,5-8H2,1H3,(H,16,17)(H,18,19)
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n/an/a 3.70E+3n/an/an/an/an/an/a



Meiji Seika Pharma, Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of carbapenems-resistant Pseudomonas aeruginosa MSC15369 metallo-beta-lactamase IMP1 expressed in Escherichia coli DH5[alpha] using nitroc...


Bioorg Med Chem 21: 5841-50 (2013)


Article DOI: 10.1016/j.bmc.2013.07.006
BindingDB Entry DOI: 10.7270/Q24X5BQM
More data for this
Ligand-Target Pair
Metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM50493090
PNG
(CHEMBL2420933)
Show SMILES CCCCOc1cccc(C(O)=O)c1C(O)=O
Show InChI InChI=1S/C12H14O5/c1-2-3-7-17-9-6-4-5-8(11(13)14)10(9)12(15)16/h4-6H,2-3,7H2,1H3,(H,13,14)(H,15,16)
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n/an/a 5.10E+3n/an/an/an/an/an/a



Meiji Seika Pharma, Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of carbapenems-resistant Pseudomonas aeruginosa MSC15369 metallo-beta-lactamase IMP1 expressed in Escherichia coli DH5[alpha] using nitroc...


Bioorg Med Chem 21: 5841-50 (2013)


Article DOI: 10.1016/j.bmc.2013.07.006
BindingDB Entry DOI: 10.7270/Q24X5BQM
More data for this
Ligand-Target Pair
Metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM50493091
PNG
(CHEMBL2420932)
Show SMILES OC(=O)c1cccc(OCc2ccccc2)c1C(O)=O
Show InChI InChI=1S/C15H12O5/c16-14(17)11-7-4-8-12(13(11)15(18)19)20-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,16,17)(H,18,19)
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n/an/a 7.40E+3n/an/an/an/an/an/a



Meiji Seika Pharma, Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of carbapenems-resistant Pseudomonas aeruginosa MSC15369 metallo-beta-lactamase IMP1 expressed in Escherichia coli DH5[alpha] using nitroc...


Bioorg Med Chem 21: 5841-50 (2013)


Article DOI: 10.1016/j.bmc.2013.07.006
BindingDB Entry DOI: 10.7270/Q24X5BQM
More data for this
Ligand-Target Pair
Metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM50493100
PNG
(CHEMBL2420942)
Show SMILES OC(=O)c1cccc(N2CCCCC2)c1C(O)=O
Show InChI InChI=1S/C13H15NO4/c15-12(16)9-5-4-6-10(11(9)13(17)18)14-7-2-1-3-8-14/h4-6H,1-3,7-8H2,(H,15,16)(H,17,18)
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n/an/a 1.08E+4n/an/an/an/an/an/a



Meiji Seika Pharma, Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of carbapenems-resistant Pseudomonas aeruginosa MSC15369 metallo-beta-lactamase IMP1 expressed in Escherichia coli DH5[alpha] using nitroc...


Bioorg Med Chem 21: 5841-50 (2013)


Article DOI: 10.1016/j.bmc.2013.07.006
BindingDB Entry DOI: 10.7270/Q24X5BQM
More data for this
Ligand-Target Pair
Metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM50493086
PNG
(CHEMBL2420939)
Show SMILES CCCCNc1cccc(C(O)=O)c1C(O)=O
Show InChI InChI=1S/C12H15NO4/c1-2-3-7-13-9-6-4-5-8(11(14)15)10(9)12(16)17/h4-6,13H,2-3,7H2,1H3,(H,14,15)(H,16,17)
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n/an/a 1.31E+4n/an/an/an/an/an/a



Meiji Seika Pharma, Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of carbapenems-resistant Pseudomonas aeruginosa MSC15369 metallo-beta-lactamase IMP1 expressed in Escherichia coli DH5[alpha] using nitroc...


Bioorg Med Chem 21: 5841-50 (2013)


Article DOI: 10.1016/j.bmc.2013.07.006
BindingDB Entry DOI: 10.7270/Q24X5BQM
More data for this
Ligand-Target Pair
Metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM50493087
PNG
(CHEMBL2420936)
Show SMILES OC(=O)CCCCOc1cccc(C(O)=O)c1C(O)=O
Show InChI InChI=1S/C13H14O7/c14-10(15)6-1-2-7-20-9-5-3-4-8(12(16)17)11(9)13(18)19/h3-5H,1-2,6-7H2,(H,14,15)(H,16,17)(H,18,19)
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n/an/a 1.88E+4n/an/an/an/an/an/a



Meiji Seika Pharma, Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of carbapenems-resistant Pseudomonas aeruginosa MSC15369 metallo-beta-lactamase IMP1 expressed in Escherichia coli DH5[alpha] using nitroc...


Bioorg Med Chem 21: 5841-50 (2013)


Article DOI: 10.1016/j.bmc.2013.07.006
BindingDB Entry DOI: 10.7270/Q24X5BQM
More data for this
Ligand-Target Pair
Metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM50493098
PNG
(CHEMBL2420938)
Show SMILES OCCCOc1cccc(C(O)=O)c1C(O)=O
Show InChI InChI=1S/C11H12O6/c12-5-2-6-17-8-4-1-3-7(10(13)14)9(8)11(15)16/h1,3-4,12H,2,5-6H2,(H,13,14)(H,15,16)
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n/an/a 2.14E+4n/an/an/an/an/an/a



Meiji Seika Pharma, Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of carbapenems-resistant Pseudomonas aeruginosa MSC15369 metallo-beta-lactamase IMP1 expressed in Escherichia coli DH5[alpha] using nitroc...


Bioorg Med Chem 21: 5841-50 (2013)


Article DOI: 10.1016/j.bmc.2013.07.006
BindingDB Entry DOI: 10.7270/Q24X5BQM
More data for this
Ligand-Target Pair
Metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM50493096
PNG
(CHEMBL2420947)
Show SMILES OCCC1CCN(CC1)c1cccc(C(O)=O)c1C(O)=O
Show InChI InChI=1S/C15H19NO5/c17-9-6-10-4-7-16(8-5-10)12-3-1-2-11(14(18)19)13(12)15(20)21/h1-3,10,17H,4-9H2,(H,18,19)(H,20,21)
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n/an/a 2.56E+4n/an/an/an/an/an/a



Meiji Seika Pharma, Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of carbapenems-resistant Pseudomonas aeruginosa MSC15369 metallo-beta-lactamase IMP1 expressed in Escherichia coli DH5[alpha] using nitroc...


Bioorg Med Chem 21: 5841-50 (2013)


Article DOI: 10.1016/j.bmc.2013.07.006
BindingDB Entry DOI: 10.7270/Q24X5BQM
More data for this
Ligand-Target Pair
Metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM50493092
PNG
(CHEMBL2420937)
Show SMILES OCCOc1cccc(C(O)=O)c1C(O)=O
Show InChI InChI=1S/C10H10O6/c11-4-5-16-7-3-1-2-6(9(12)13)8(7)10(14)15/h1-3,11H,4-5H2,(H,12,13)(H,14,15)
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n/an/a 4.78E+4n/an/an/an/an/an/a



Meiji Seika Pharma, Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of carbapenems-resistant Pseudomonas aeruginosa MSC15369 metallo-beta-lactamase IMP1 expressed in Escherichia coli DH5[alpha] using nitroc...


Bioorg Med Chem 21: 5841-50 (2013)


Article DOI: 10.1016/j.bmc.2013.07.006
BindingDB Entry DOI: 10.7270/Q24X5BQM
More data for this
Ligand-Target Pair
Metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM50493085
PNG
(CHEMBL2420940)
Show SMILES CN(C)c1cccc(C(O)=O)c1C(O)=O
Show InChI InChI=1S/C10H11NO4/c1-11(2)7-5-3-4-6(9(12)13)8(7)10(14)15/h3-5H,1-2H3,(H,12,13)(H,14,15)
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n/an/a 9.45E+4n/an/an/an/an/an/a



Meiji Seika Pharma, Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of carbapenems-resistant Pseudomonas aeruginosa MSC15369 metallo-beta-lactamase IMP1 expressed in Escherichia coli DH5[alpha] using nitroc...


Bioorg Med Chem 21: 5841-50 (2013)


Article DOI: 10.1016/j.bmc.2013.07.006
BindingDB Entry DOI: 10.7270/Q24X5BQM
More data for this
Ligand-Target Pair
Metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM50493094
PNG
(CHEMBL2420931)
Show SMILES COc1cccc(C(O)=O)c1C(O)=O
Show InChI InChI=1S/C9H8O5/c1-14-6-4-2-3-5(8(10)11)7(6)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
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n/an/a 1.42E+5n/an/an/an/an/an/a



Meiji Seika Pharma, Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of carbapenems-resistant Pseudomonas aeruginosa MSC15369 metallo-beta-lactamase IMP1 expressed in Escherichia coli DH5[alpha] using nitroc...


Bioorg Med Chem 21: 5841-50 (2013)


Article DOI: 10.1016/j.bmc.2013.07.006
BindingDB Entry DOI: 10.7270/Q24X5BQM
More data for this
Ligand-Target Pair
Metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM50493099
PNG
(CHEMBL2420930)
Show SMILES OC(=O)c1cccc(O)c1C(O)=O
Show InChI InChI=1S/C8H6O5/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
PDB
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MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



Meiji Seika Pharma, Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of carbapenems-resistant Pseudomonas aeruginosa MSC15369 metallo-beta-lactamase IMP1 expressed in Escherichia coli DH5[alpha] using nitroc...


Bioorg Med Chem 21: 5841-50 (2013)


Article DOI: 10.1016/j.bmc.2013.07.006
BindingDB Entry DOI: 10.7270/Q24X5BQM
More data for this
Ligand-Target Pair
Metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM50493089
PNG
(CHEMBL2420929)
Show SMILES Nc1cccc(C(O)=O)c1C(O)=O
Show InChI InChI=1S/C8H7NO4/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)
PDB
MMDB

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UniProtKB/TrEMBL

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MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 3.00E+5n/an/an/an/an/an/a



Meiji Seika Pharma, Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of carbapenems-resistant Pseudomonas aeruginosa MSC15369 metallo-beta-lactamase IMP1 expressed in Escherichia coli DH5[alpha] using nitroc...


Bioorg Med Chem 21: 5841-50 (2013)


Article DOI: 10.1016/j.bmc.2013.07.006
BindingDB Entry DOI: 10.7270/Q24X5BQM
More data for this
Ligand-Target Pair