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Compile Data Set for Download or QSAR

Found 107 hits with Last Name = 'christopeit' and Initial = 't'   
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 type 2


(Klebsiella pneumoniae)
BDBM50131078
PNG
(3-formylchromones | 4-Oxo-4H-chromene-3-carbaldehy...)
Show SMILES O=Cc1coc2ccccc2c1=O
Show InChI InChI=1S/C10H6O3/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12/h1-6H
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580n/an/an/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Time-dependent inhibition of wild type Klebsiella pneumoniae 6xHis-tagged metallo-beta-lactamase NDM-1 expressed in Escherichia coli BL21 (DE3)pLysS


Bioorg Med Chem 24: 2947-2953 (2016)


Article DOI: 10.1016/j.bmc.2016.04.064
BindingDB Entry DOI: 10.7270/Q2XS5X91
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Klebsiella pneumoniae)
BDBM50131078
PNG
(3-formylchromones | 4-Oxo-4H-chromene-3-carbaldehy...)
Show SMILES O=Cc1coc2ccccc2c1=O
Show InChI InChI=1S/C10H6O3/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12/h1-6H
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7.60E+4n/an/an/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Time-dependent inhibition of wild type Klebsiella pneumoniae 6xHis-tagged metallo-beta-lactamase NDM-1 expressed in Escherichia coli BL21 (DE3)pLysS ...


Bioorg Med Chem 24: 2947-2953 (2016)


Article DOI: 10.1016/j.bmc.2016.04.064
BindingDB Entry DOI: 10.7270/Q2XS5X91
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Klebsiella pneumoniae)
BDBM50129065
PNG
(CHEMBL3278535)
Show SMILES O=c1c(coc2ccccc12)C#N
Show InChI InChI=1S/C10H5NO2/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12/h1-4,6H
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1.86E+5n/an/an/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Competitive inhibition of His-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21-AI cells using imipinem as substrate


Bioorg Med Chem Lett 26: 1973-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.004
BindingDB Entry DOI: 10.7270/Q2FT8NXX
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Klebsiella pneumoniae)
BDBM50129065
PNG
(CHEMBL3278535)
Show SMILES O=c1c(coc2ccccc12)C#N
Show InChI InChI=1S/C10H5NO2/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12/h1-4,6H
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1.86E+5n/an/an/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Competitive inhibition of His-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21-AI cells using imipinem as substrate


Bioorg Med Chem Lett 26: 1973-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.004
BindingDB Entry DOI: 10.7270/Q2FT8NXX
More data for this
Ligand-Target Pair
VIM-2 type metallo-beta-lactamase


(Pseudomonas aeruginosa)
BDBM50560027
PNG
(CHEMBL4788033)
Show SMILES Ic1ccc(cc1)S(=O)(=O)NCc1[nH]nnc1CNC1CCCCC1
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n/an/a 67n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of beta lactamase VIM-2 in Pseudomonas aeruginosa 3015473 in presence of nitrocefin as reporter substrate measured after 5 mins by micropl...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115598
BindingDB Entry DOI: 10.7270/Q2HT2T1P
More data for this
Ligand-Target Pair
VIM-2 type metallo-beta-lactamase


(Pseudomonas aeruginosa)
BDBM50560026
PNG
(CHEMBL4793717)
Show SMILES Clc1ccc(Cl)c(c1)S(=O)(=O)NCc1[nH]nnc1CNC12CC3CC(CC(C3)C1)C2 |TLB:23:24:21.22.27:28,THB:23:22:28:29.24.25,25:24:21:27.26.28,25:26:21:29.23.24|
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n/an/a 120n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of beta lactamase VIM-2 in Pseudomonas aeruginosa 3015473 in presence of nitrocefin as reporter substrate measured after 5 mins by micropl...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115598
BindingDB Entry DOI: 10.7270/Q2HT2T1P
More data for this
Ligand-Target Pair
VIM-2 type metallo-beta-lactamase


(Pseudomonas aeruginosa)
BDBM50560028
PNG
(CHEMBL4750008)
Show SMILES Ic1ccc(cc1)S(=O)(=O)NCc1[nH]nnc1CNC12CC3CC(CC(C3)C1)C2 |TLB:22:23:20.21.26:27,THB:22:21:27:28.23.24,24:23:20:26.25.27,24:25:20:28.22.23|
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n/an/a 160n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of beta lactamase VIM-2 in Pseudomonas aeruginosa 3015473 in presence of nitrocefin as reporter substrate measured after 5 mins by micropl...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115598
BindingDB Entry DOI: 10.7270/Q2HT2T1P
More data for this
Ligand-Target Pair
VIM-2 type metallo-beta-lactamase


(Pseudomonas aeruginosa)
BDBM50560025
PNG
(CHEMBL4796446)
Show SMILES Clc1ccc(Cl)c(c1)S(=O)(=O)NCc1[nH]nnc1CNC1CCCCC1
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n/an/a 230n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of beta lactamase VIM-2 in Pseudomonas aeruginosa 3015473 in presence of nitrocefin as reporter substrate measured after 5 mins by micropl...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115598
BindingDB Entry DOI: 10.7270/Q2HT2T1P
More data for this
Ligand-Target Pair
VIM-2 type metallo-beta-lactamase


(Pseudomonas aeruginosa)
BDBM50560032
PNG
(CHEMBL4748654)
Show SMILES CC(C)OCc1nn[nH]c1CNS(=O)(=O)c1ccc(I)cc1
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n/an/a 530n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of beta lactamase VIM-2 in Pseudomonas aeruginosa 3015473 in presence of nitrocefin as reporter substrate measured after 5 mins by micropl...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115598
BindingDB Entry DOI: 10.7270/Q2HT2T1P
More data for this
Ligand-Target Pair
VIM-2 type metallo-beta-lactamase


(Pseudomonas aeruginosa)
BDBM50560023
PNG
(CHEMBL4743887)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1[nH]nnc1CNC1CCCCC1
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n/an/a 1.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of beta lactamase VIM-2 in Pseudomonas aeruginosa 3015473 in presence of nitrocefin as reporter substrate measured after 5 mins by micropl...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115598
BindingDB Entry DOI: 10.7270/Q2HT2T1P
More data for this
Ligand-Target Pair
VIM-2 type metallo-beta-lactamase


(Pseudomonas aeruginosa)
BDBM50560024
PNG
(CHEMBL4741814)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1[nH]nnc1CNC12CC3CC(CC(C3)C1)C2 |TLB:22:23:20.21.26:27,THB:22:21:27:28.23.24,24:23:20:26.25.27,24:25:20:28.22.23|
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n/an/a 2.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of beta lactamase VIM-2 in Pseudomonas aeruginosa 3015473 in presence of nitrocefin as reporter substrate measured after 5 mins by micropl...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115598
BindingDB Entry DOI: 10.7270/Q2HT2T1P
More data for this
Ligand-Target Pair
Metallo-beta-lactamase VIM-2


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa 301-5473 metallo-beta-lactamase VIM-2 expressed in Escherichia coli BL21(DE3) using nitrocefin as substrate prei...


J Med Chem 58: 8671-82 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01289
BindingDB Entry DOI: 10.7270/Q2959KCH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
VIM-2 type metallo-beta-lactamase


(Pseudomonas aeruginosa)
BDBM50560022
PNG
(CHEMBL4782105)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1[nH]nnc1COC(C)(C)C
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n/an/a 7.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of beta lactamase VIM-2 in Pseudomonas aeruginosa 3015473 in presence of nitrocefin as reporter substrate measured after 5 mins by micropl...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115598
BindingDB Entry DOI: 10.7270/Q2HT2T1P
More data for this
Ligand-Target Pair
Metallo-beta-lactamase VIM-2


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM50174202
PNG
(2-benzoylbenzoic acid | CHEMBL196812)
Show SMILES OC(=O)c1ccccc1C(=O)c1ccccc1
Show InChI InChI=1S/C14H10O3/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-9H,(H,16,17)
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n/an/a 8.00E+3n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa 301-5473 metallo-beta-lactamase VIM-2 expressed in Escherichia coli BL21(DE3) using nitrocefin as substrate prei...


J Med Chem 58: 8671-82 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01289
BindingDB Entry DOI: 10.7270/Q2959KCH
More data for this
Ligand-Target Pair
Metallo-beta-lactamase VIM-2


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM50129030
PNG
(CHEMBL81936)
Show SMILES OC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C14H9ClO3/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h1-8H,(H,17,18)
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n/an/a 1.20E+4n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa 301-5473 metallo-beta-lactamase VIM-2 expressed in Escherichia coli BL21(DE3) using nitrocefin as substrate prei...


J Med Chem 58: 8671-82 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01289
BindingDB Entry DOI: 10.7270/Q2959KCH
More data for this
Ligand-Target Pair
Metallo-beta-lactamase VIM-2


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM50129032
PNG
(CHEMBL82115)
Show SMILES OC(=O)c1ccccc1C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C14H9FO3/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h1-8H,(H,17,18)
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n/an/a 1.40E+4n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa 301-5473 metallo-beta-lactamase VIM-2 expressed in Escherichia coli BL21(DE3) using nitrocefin as substrate prei...


J Med Chem 58: 8671-82 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01289
BindingDB Entry DOI: 10.7270/Q2959KCH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
VIM-2 type metallo-beta-lactamase


(Pseudomonas aeruginosa)
BDBM50560031
PNG
(CHEMBL584206)
Show SMILES COCc1nn[nH]c1CNS(=O)(=O)c1ccc(I)cc1
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n/an/a 1.50E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of beta lactamase VIM-2 in Pseudomonas aeruginosa 3015473 in presence of nitrocefin as reporter substrate measured after 5 mins by micropl...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115598
BindingDB Entry DOI: 10.7270/Q2HT2T1P
More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM50195796
PNG
(CHEMBL3910343)
Show SMILES OC(=O)c1cc(cc(c1)-c1ccncc1)-c1ccncc1
Show InChI InChI=1S/C17H12N2O2/c20-17(21)16-10-14(12-1-5-18-6-2-12)9-15(11-16)13-3-7-19-8-4-13/h1-11H,(H,20,21)
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n/an/a 1.80E+4n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of native signal containing Klebsiella pneumoniae OXA-48 using nitrocefin substrate pre-incubated for 5 mins before substrate addition


J Med Chem 59: 5542-54 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00660
BindingDB Entry DOI: 10.7270/Q2NP26CK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metallo-beta-lactamase GIM-1


(Pseudomonas aeruginosa)
BDBM50560028
PNG
(CHEMBL4750008)
Show SMILES Ic1ccc(cc1)S(=O)(=O)NCc1[nH]nnc1CNC12CC3CC(CC(C3)C1)C2 |TLB:22:23:20.21.26:27,THB:22:21:27:28.23.24,24:23:20:26.25.27,24:25:20:28.22.23|
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TBA

Assay Description
Inhibition of beta lactamase GIM-1 in Pseudomonas aeruginosa in presence of nitrocefin as reporter substrate measured after 5 mins by microplate spec...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115598
BindingDB Entry DOI: 10.7270/Q2HT2T1P
More data for this
Ligand-Target Pair
VIM-2 type metallo-beta-lactamase


(Pseudomonas aeruginosa)
BDBM50560030
PNG
(CHEMBL4760439)
Show SMILES COc1ccc(CSCc2nn[nH]c2CNS(=O)(=O)c2ccc(I)cc2)cc1
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n/an/a 2.10E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of beta lactamase VIM-2 in Pseudomonas aeruginosa 3015473 in presence of nitrocefin as reporter substrate measured after 5 mins by micropl...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115598
BindingDB Entry DOI: 10.7270/Q2HT2T1P
More data for this
Ligand-Target Pair
VIM-2 type metallo-beta-lactamase


(Pseudomonas aeruginosa)
BDBM50560033
PNG
(CHEMBL4753298)
Show SMILES CC(=O)OCc1nn[nH]c1CNS(=O)(=O)c1ccc(I)cc1
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n/an/a 2.30E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of beta lactamase VIM-2 in Pseudomonas aeruginosa 3015473 in presence of nitrocefin as reporter substrate measured after 5 mins by micropl...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115598
BindingDB Entry DOI: 10.7270/Q2HT2T1P
More data for this
Ligand-Target Pair
VIM-2 type metallo-beta-lactamase


(Pseudomonas aeruginosa)
BDBM50560021
PNG
(CHEMBL4759266)
Show SMILES NCc1nn[nH]c1CNS(=O)(=O)c1ccccc1
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n/an/a 2.30E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of beta lactamase VIM-2 in Pseudomonas aeruginosa 3015473 in presence of nitrocefin as reporter substrate measured after 5 mins by micropl...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115598
BindingDB Entry DOI: 10.7270/Q2HT2T1P
More data for this
Ligand-Target Pair
Metallo-beta-lactamase GIM-1


(Pseudomonas aeruginosa)
BDBM50560033
PNG
(CHEMBL4753298)
Show SMILES CC(=O)OCc1nn[nH]c1CNS(=O)(=O)c1ccc(I)cc1
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n/an/a 4.80E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of beta lactamase GIM-1 in Pseudomonas aeruginosa in presence of nitrocefin as reporter substrate measured after 5 mins by microplate spec...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115598
BindingDB Entry DOI: 10.7270/Q2HT2T1P
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Klebsiella pneumoniae)
BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1
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n/an/a 4.98E+4n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of His-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21-AI cells using imipinem as substrate


Bioorg Med Chem Lett 26: 1973-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.004
BindingDB Entry DOI: 10.7270/Q2FT8NXX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metallo-beta-lactamase type 2


(Klebsiella pneumoniae)
BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1
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n/an/a 5.01E+4n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of His-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21-AI cells using imipinem as substrate


Bioorg Med Chem Lett 26: 1973-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.004
BindingDB Entry DOI: 10.7270/Q2FT8NXX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metallo-beta-lactamase GIM-1


(Pseudomonas aeruginosa)
BDBM50560027
PNG
(CHEMBL4788033)
Show SMILES Ic1ccc(cc1)S(=O)(=O)NCc1[nH]nnc1CNC1CCCCC1
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n/an/a 6.90E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of beta lactamase GIM-1 in Pseudomonas aeruginosa in presence of nitrocefin as reporter substrate measured after 5 mins by microplate spec...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115598
BindingDB Entry DOI: 10.7270/Q2HT2T1P
More data for this
Ligand-Target Pair
Metallo-beta-lactamase GIM-1


(Pseudomonas aeruginosa)
BDBM50560024
PNG
(CHEMBL4741814)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1[nH]nnc1CNC12CC3CC(CC(C3)C1)C2 |TLB:22:23:20.21.26:27,THB:22:21:27:28.23.24,24:23:20:26.25.27,24:25:20:28.22.23|
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n/an/a 8.30E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of beta lactamase GIM-1 in Pseudomonas aeruginosa in presence of nitrocefin as reporter substrate measured after 5 mins by microplate spec...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115598
BindingDB Entry DOI: 10.7270/Q2HT2T1P
More data for this
Ligand-Target Pair
Metallo-beta-lactamase GIM-1


(Pseudomonas aeruginosa)
BDBM50560022
PNG
(CHEMBL4782105)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1[nH]nnc1COC(C)(C)C
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n/an/a 1.28E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of beta lactamase GIM-1 in Pseudomonas aeruginosa in presence of nitrocefin as reporter substrate measured after 5 mins by microplate spec...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115598
BindingDB Entry DOI: 10.7270/Q2HT2T1P
More data for this
Ligand-Target Pair
Metallo-beta-lactamase GIM-1


(Pseudomonas aeruginosa)
BDBM50560031
PNG
(CHEMBL584206)
Show SMILES COCc1nn[nH]c1CNS(=O)(=O)c1ccc(I)cc1
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n/an/a 1.69E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of beta lactamase GIM-1 in Pseudomonas aeruginosa in presence of nitrocefin as reporter substrate measured after 5 mins by microplate spec...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115598
BindingDB Entry DOI: 10.7270/Q2HT2T1P
More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM50195795
PNG
(CHEMBL3908259)
Show SMILES Nc1cccnc1-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C12H10N2O2/c13-10-5-2-6-14-11(10)8-3-1-4-9(7-8)12(15)16/h1-7H,13H2,(H,15,16)
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n/an/a 1.80E+5n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of native signal containing Klebsiella pneumoniae OXA-48 using nitrocefin substrate pre-incubated for 5 mins before substrate addition


J Med Chem 59: 5542-54 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00660
BindingDB Entry DOI: 10.7270/Q2NP26CK
More data for this
Ligand-Target Pair
Metallo-beta-lactamase GIM-1


(Pseudomonas aeruginosa)
BDBM50560032
PNG
(CHEMBL4748654)
Show SMILES CC(C)OCc1nn[nH]c1CNS(=O)(=O)c1ccc(I)cc1
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n/an/a 1.93E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of beta lactamase GIM-1 in Pseudomonas aeruginosa in presence of nitrocefin as reporter substrate measured after 5 mins by microplate spec...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115598
BindingDB Entry DOI: 10.7270/Q2HT2T1P
More data for this
Ligand-Target Pair
Metallo-beta-lactamase VIM-2


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM114408
PNG
(2-(7-chloranylquinolin-4-yl)sulfanylethanoic acid ...)
Show SMILES OC(=O)CSc1ccnc2cc(Cl)ccc12
Show InChI InChI=1S/C11H8ClNO2S/c12-7-1-2-8-9(5-7)13-4-3-10(8)16-6-11(14)15/h1-5H,6H2,(H,14,15)
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n/an/a 2.05E+5n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa 301-5473 metallo-beta-lactamase VIM-2 expressed in Escherichia coli BL21(DE3) using nitrocefin as substrate prei...


J Med Chem 58: 8671-82 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01289
BindingDB Entry DOI: 10.7270/Q2959KCH
More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM114408
PNG
(2-(7-chloranylquinolin-4-yl)sulfanylethanoic acid ...)
Show SMILES OC(=O)CSc1ccnc2cc(Cl)ccc12
Show InChI InChI=1S/C11H8ClNO2S/c12-7-1-2-8-9(5-7)13-4-3-10(8)16-6-11(14)15/h1-5H,6H2,(H,14,15)
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n/an/a 2.20E+5n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of native signal containing Klebsiella pneumoniae OXA-48 using nitrocefin substrate pre-incubated for 5 mins before substrate addition


J Med Chem 59: 5542-54 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00660
BindingDB Entry DOI: 10.7270/Q2NP26CK
More data for this
Ligand-Target Pair
Metallo-beta-lactamase GIM-1


(Pseudomonas aeruginosa)
BDBM50560030
PNG
(CHEMBL4760439)
Show SMILES COc1ccc(CSCc2nn[nH]c2CNS(=O)(=O)c2ccc(I)cc2)cc1
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n/an/a 2.27E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of beta lactamase GIM-1 in Pseudomonas aeruginosa in presence of nitrocefin as reporter substrate measured after 5 mins by microplate spec...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115598
BindingDB Entry DOI: 10.7270/Q2HT2T1P
More data for this
Ligand-Target Pair
Metallo-beta-lactamase VIM-2


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM50129035
PNG
(CHEMBL1778133)
Show SMILES Cn1c(S)nnc1C(F)(F)F
Show InChI InChI=1S/C4H4F3N3S/c1-10-2(4(5,6)7)8-9-3(10)11/h1H3,(H,9,11)
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n/an/a 2.32E+5n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa 301-5473 metallo-beta-lactamase VIM-2 expressed in Escherichia coli BL21(DE3) using nitrocefin as substrate prei...


J Med Chem 58: 8671-82 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01289
BindingDB Entry DOI: 10.7270/Q2959KCH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-lactamase


(Klebsiella pneumoniae)
BDBM50195792
PNG
(CHEMBL3896367)
Show SMILES OC(=O)c1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C12H9NO2/c14-12(15)10-4-1-3-9(7-10)11-5-2-6-13-8-11/h1-8H,(H,14,15)
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n/an/a 2.40E+5n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of native signal containing Klebsiella pneumoniae OXA-48 using nitrocefin substrate pre-incubated for 5 mins before substrate addition


J Med Chem 59: 5542-54 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00660
BindingDB Entry DOI: 10.7270/Q2NP26CK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-lactamase


(Klebsiella pneumoniae)
BDBM50195794
PNG
(CHEMBL3913021)
Show SMILES OC(=O)c1cccc(c1)-c1ccncc1
Show InChI InChI=1S/C12H9NO2/c14-12(15)11-3-1-2-10(8-11)9-4-6-13-7-5-9/h1-8H,(H,14,15)
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n/an/a 2.50E+5n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of native signal containing Klebsiella pneumoniae OXA-48 using nitrocefin substrate pre-incubated for 5 mins before substrate addition


J Med Chem 59: 5542-54 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00660
BindingDB Entry DOI: 10.7270/Q2NP26CK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-lactamase


(Klebsiella pneumoniae)
BDBM50195789
PNG
(CHEMBL3967375)
Show SMILES OC(=O)c1cccc(c1)-c1nccs1
Show InChI InChI=1S/C10H7NO2S/c12-10(13)8-3-1-2-7(6-8)9-11-4-5-14-9/h1-6H,(H,12,13)
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n/an/a 2.50E+5n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of native signal containing Klebsiella pneumoniae OXA-48 using nitrocefin substrate pre-incubated for 5 mins before substrate addition


J Med Chem 59: 5542-54 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00660
BindingDB Entry DOI: 10.7270/Q2NP26CK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
VIM-2 type metallo-beta-lactamase


(Pseudomonas aeruginosa)
BDBM50560029
PNG
(CHEMBL4782956)
Show SMILES Ic1ccc(cc1)S(=O)(=O)NCc1[nH]nnc1CNC(c1ccccc1)(c1ccccc1)c1ccccc1
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n/an/a>2.50E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of beta lactamase VIM-2 in Pseudomonas aeruginosa 3015473 in presence of nitrocefin as reporter substrate measured after 5 mins by micropl...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115598
BindingDB Entry DOI: 10.7270/Q2HT2T1P
More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM50195793
PNG
(CHEMBL123234)
Show SMILES OC(=O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C13H10O2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,(H,14,15)
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n/an/a 2.60E+5n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of native signal containing Klebsiella pneumoniae OXA-48 using nitrocefin substrate pre-incubated for 5 mins before substrate addition


J Med Chem 59: 5542-54 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00660
BindingDB Entry DOI: 10.7270/Q2NP26CK
More data for this
Ligand-Target Pair
Metallo-beta-lactamase VIM-2


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM73278
PNG
(4-keto-4-(4-propylphenyl)butyric acid | 4-oxidanyl...)
Show SMILES CCCc1ccc(cc1)C(=O)CCC(O)=O
Show InChI InChI=1S/C13H16O3/c1-2-3-10-4-6-11(7-5-10)12(14)8-9-13(15)16/h4-7H,2-3,8-9H2,1H3,(H,15,16)
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n/an/a 2.87E+5n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa 301-5473 metallo-beta-lactamase VIM-2 expressed in Escherichia coli BL21(DE3) using nitrocefin as substrate prei...


J Med Chem 58: 8671-82 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01289
BindingDB Entry DOI: 10.7270/Q2959KCH
More data for this
Ligand-Target Pair
Metallo-beta-lactamase VIM-2


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM50129082
PNG
(CHEMBL1324612)
Show SMILES OC(=O)c1cncc(c1)C#Cc1ccccc1
Show InChI InChI=1S/C14H9NO2/c16-14(17)13-8-12(9-15-10-13)7-6-11-4-2-1-3-5-11/h1-5,8-10H,(H,16,17)
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n/an/a 2.98E+5n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa 301-5473 metallo-beta-lactamase VIM-2 expressed in Escherichia coli BL21(DE3) using nitrocefin as substrate prei...


J Med Chem 58: 8671-82 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01289
BindingDB Entry DOI: 10.7270/Q2959KCH
More data for this
Ligand-Target Pair
Metallo-beta-lactamase VIM-2


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM50129066
PNG
(CHEMBL3627736)
Show SMILES Oc1nc(cc(c1C#N)C(F)(F)F)-c1cccs1
Show InChI InChI=1S/C11H5F3N2OS/c12-11(13,14)7-4-8(9-2-1-3-18-9)16-10(17)6(7)5-15/h1-4H,(H,16,17)
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n/an/a 3.14E+5n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa 301-5473 metallo-beta-lactamase VIM-2 expressed in Escherichia coli BL21(DE3) using nitrocefin as substrate prei...


J Med Chem 58: 8671-82 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01289
BindingDB Entry DOI: 10.7270/Q2959KCH
More data for this
Ligand-Target Pair
Metallo-beta-lactamase GIM-1


(Pseudomonas aeruginosa)
BDBM50560029
PNG
(CHEMBL4782956)
Show SMILES Ic1ccc(cc1)S(=O)(=O)NCc1[nH]nnc1CNC(c1ccccc1)(c1ccccc1)c1ccccc1
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n/an/a 3.53E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of beta lactamase GIM-1 in Pseudomonas aeruginosa in presence of nitrocefin as reporter substrate measured after 5 mins by microplate spec...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115598
BindingDB Entry DOI: 10.7270/Q2HT2T1P
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Klebsiella pneumoniae)
BDBM50129065
PNG
(CHEMBL3278535)
Show SMILES O=c1c(coc2ccccc12)C#N
Show InChI InChI=1S/C10H5NO2/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12/h1-4,6H
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n/an/a 4.79E+5n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of His-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21-AI cells using imipinem as substrate


Bioorg Med Chem Lett 26: 1973-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.004
BindingDB Entry DOI: 10.7270/Q2FT8NXX
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Klebsiella pneumoniae)
BDBM50129065
PNG
(CHEMBL3278535)
Show SMILES O=c1c(coc2ccccc12)C#N
Show InChI InChI=1S/C10H5NO2/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12/h1-4,6H
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n/an/a 4.80E+5n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of His-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21-AI cells using imipinem as substrate


Bioorg Med Chem Lett 26: 1973-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.004
BindingDB Entry DOI: 10.7270/Q2FT8NXX
More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM50355012
PNG
(CHEMBL1834963)
Show SMILES OC(=O)c1cccc(c1)C#Cc1ccccc1
Show InChI InChI=1S/C15H10O2/c16-15(17)14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-8,11H,(H,16,17)
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n/an/a 4.80E+5n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of native signal containing Klebsiella pneumoniae OXA-48 using nitrocefin substrate pre-incubated for 5 mins before substrate addition


J Med Chem 59: 5542-54 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00660
BindingDB Entry DOI: 10.7270/Q2NP26CK
More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM50129081
PNG
(CHEBI:33070 | Indole-3-Butyric Acid)
Show SMILES OC(=O)CCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)
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n/an/a 4.80E+5n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of native signal containing Klebsiella pneumoniae OXA-48 using nitrocefin substrate pre-incubated for 5 mins before substrate addition


J Med Chem 59: 5542-54 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00660
BindingDB Entry DOI: 10.7270/Q2NP26CK
More data for this
Ligand-Target Pair
Metallo-beta-lactamase VIM-2


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM50442179
PNG
(CHEMBL2441619)
Show SMILES Cc1ccc2nc(cc(N3CCNCC3)c2c1)C(F)(F)F
Show InChI InChI=1S/C15H16F3N3/c1-10-2-3-12-11(8-10)13(21-6-4-19-5-7-21)9-14(20-12)15(16,17)18/h2-3,8-9,19H,4-7H2,1H3
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n/an/a 5.92E+5n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa 301-5473 metallo-beta-lactamase VIM-2 expressed in Escherichia coli BL21(DE3) using nitrocefin as substrate prei...


J Med Chem 58: 8671-82 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01289
BindingDB Entry DOI: 10.7270/Q2959KCH
More data for this
Ligand-Target Pair
Metallo-beta-lactamase VIM-2


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM50129081
PNG
(CHEBI:33070 | Indole-3-Butyric Acid)
Show SMILES OC(=O)CCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)
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n/an/a 7.57E+5n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa 301-5473 metallo-beta-lactamase VIM-2 expressed in Escherichia coli BL21(DE3) using nitrocefin as substrate prei...


J Med Chem 58: 8671-82 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01289
BindingDB Entry DOI: 10.7270/Q2959KCH
More data for this
Ligand-Target Pair
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