BindingDB logo
myBDB logout

PubMed code 20044254

Compile data set for download or QSAR
Found 14 hits of Enzyme Inhibition Constant Data   
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
Beta-lactamase


(Pseudomonas aeruginosa (PAO1))		BDBM50309906
PNG
((1S,5R)-2-(cycloheptylcarbamoyl)-7-oxo-2,6-diazabi...)
Show SMILES OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)NC1CCCCCC1 |r|
Show InChI InChI=1S/C13H21N3O5S/c17-12-11-10(16(12)22(19,20)21)7-8-15(11)13(18)14-9-5-3-1-2-4-6-9/h9-11H,1-8H2,(H,14,18)(H,19,20,21)/t10-,11+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Merck Research Labs

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa beta lactamase AmpC by spectrophotometry

Bioorg Med Chem Lett 20: 918-21 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.069
BindingDB Entry DOI: 10.7270/Q2KW5G5S
More data for this
Ligand-Target Pair
Beta-lactamase


(Pseudomonas aeruginosa (PAO1))		BDBM50309903
PNG
((1S,5R)-2-((R)-1,4-oxazepan-6-ylcarbamoyl)-7-oxo-2...)
Show SMILES OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)N[C@@H]1CNCCOC1 |r|
Show InChI InChI=1S/C11H18N4O6S/c16-10-9-8(15(10)22(18,19)20)1-3-14(9)11(17)13-7-5-12-2-4-21-6-7/h7-9,12H,1-6H2,(H,13,17)(H,18,19,20)/t7-,8-,9+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 600n/an/an/an/an/an/a



Merck Research Labs

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa beta lactamase AmpC by spectrophotometry

Bioorg Med Chem Lett 20: 918-21 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.069
BindingDB Entry DOI: 10.7270/Q2KW5G5S
More data for this
Ligand-Target Pair
Beta-lactamase


(Pseudomonas aeruginosa (PAO1))		BDBM50309905
PNG
((1S,5R)-7-oxo-2-((S)-2-oxoazepan-3-ylcarbamoyl)-2,...)
Show SMILES OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)N[C@H]1CCCCNC1=O |r|
Show InChI InChI=1S/C12H18N4O6S/c17-10-7(3-1-2-5-13-10)14-12(19)15-6-4-8-9(15)11(18)16(8)23(20,21)22/h7-9H,1-6H2,(H,13,17)(H,14,19)(H,20,21,22)/t7-,8+,9-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Merck Research Labs

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa beta lactamase AmpC by spectrophotometry

Bioorg Med Chem Lett 20: 918-21 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.069
BindingDB Entry DOI: 10.7270/Q2KW5G5S
More data for this
Ligand-Target Pair
Beta-lactamase


(Pseudomonas aeruginosa (PAO1))		BDBM50309899
PNG
((1S,5R)-2-((S)-azepan-4-ylcarbamoyl)-7-oxo-2,6-dia...)
Show SMILES OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)N[C@H]1CCCNCC1 |r|
Show InChI InChI=1S/C12H20N4O5S/c17-11-10-9(16(11)22(19,20)21)4-7-15(10)12(18)14-8-2-1-5-13-6-3-8/h8-10,13H,1-7H2,(H,14,18)(H,19,20,21)/t8-,9+,10-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Research Labs

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa beta lactamase AmpC by spectrophotometry

Bioorg Med Chem Lett 20: 918-21 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.069
BindingDB Entry DOI: 10.7270/Q2KW5G5S
More data for this
Ligand-Target Pair
Beta-lactamase


(Pseudomonas aeruginosa (PAO1))		BDBM50309904
PNG
((1S,5R)-2-((S)-1,4-oxazepan-6-ylcarbamoyl)-7-oxo-2...)
Show SMILES OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)N[C@H]1CNCCOC1 |r|
Show InChI InChI=1S/C11H18N4O6S/c16-10-9-8(15(10)22(18,19)20)1-3-14(9)11(17)13-7-5-12-2-4-21-6-7/h7-9,12H,1-6H2,(H,13,17)(H,18,19,20)/t7-,8+,9-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Merck Research Labs

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa beta lactamase AmpC by spectrophotometry

Bioorg Med Chem Lett 20: 918-21 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.069
BindingDB Entry DOI: 10.7270/Q2KW5G5S
More data for this
Ligand-Target Pair
Beta-lactamase


(Pseudomonas aeruginosa (PAO1))		BDBM50309908
PNG
((1S,5R)-2-(azocan-4-ylcarbamoyl)-7-oxo-2,6-diazabi...)
Show SMILES OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)NC1CCCCNCC1 |r|
Show InChI InChI=1S/C13H22N4O5S/c18-12-11-10(17(12)23(20,21)22)5-8-16(11)13(19)15-9-3-1-2-6-14-7-4-9/h9-11,14H,1-8H2,(H,15,19)(H,20,21,22)/t9?,10-,11+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Merck Research Labs

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa beta lactamase AmpC by spectrophotometry

Bioorg Med Chem Lett 20: 918-21 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.069
BindingDB Entry DOI: 10.7270/Q2KW5G5S
More data for this
Ligand-Target Pair
Beta-lactamase


(Pseudomonas aeruginosa (PAO1))		BDBM50309908
PNG
((1S,5R)-2-(azocan-4-ylcarbamoyl)-7-oxo-2,6-diazabi...)
Show SMILES OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)NC1CCCCNCC1 |r|
Show InChI InChI=1S/C13H22N4O5S/c18-12-11-10(17(12)23(20,21)22)5-8-16(11)13(19)15-9-3-1-2-6-14-7-4-9/h9-11,14H,1-8H2,(H,15,19)(H,20,21,22)/t9?,10-,11+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Merck Research Labs

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa beta lactamase AmpC by spectrophotometry

Bioorg Med Chem Lett 20: 918-21 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.069
BindingDB Entry DOI: 10.7270/Q2KW5G5S
More data for this
Ligand-Target Pair
Beta-lactamase


(Pseudomonas aeruginosa (PAO1))		BDBM50309901
PNG
((1S,5R)-2-((S)-azepan-3-ylcarbamoyl)-7-oxo-2,6-dia...)
Show SMILES OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)N[C@H]1CCCCNC1 |r|
Show InChI InChI=1S/C12H20N4O5S/c17-11-10-9(16(11)22(19,20)21)4-6-15(10)12(18)14-8-3-1-2-5-13-7-8/h8-10,13H,1-7H2,(H,14,18)(H,19,20,21)/t8-,9+,10-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Merck Research Labs

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa beta lactamase AmpC by spectrophotometry

Bioorg Med Chem Lett 20: 918-21 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.069
BindingDB Entry DOI: 10.7270/Q2KW5G5S
More data for this
Ligand-Target Pair
Beta-lactamase


(Pseudomonas aeruginosa (PAO1))		BDBM50309907
PNG
((1S,5R)-2-(azocan-5-ylcarbamoyl)-7-oxo-2,6-diazabi...)
Show SMILES OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)NC1CCCNCCC1 |r|
Show InChI InChI=1S/C13H22N4O5S/c18-12-11-10(17(12)23(20,21)22)5-8-16(11)13(19)15-9-3-1-6-14-7-2-4-9/h9-11,14H,1-8H2,(H,15,19)(H,20,21,22)/t10-,11+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 3.40E+3n/an/an/an/an/an/a



Merck Research Labs

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa beta lactamase AmpC by spectrophotometry

Bioorg Med Chem Lett 20: 918-21 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.069
BindingDB Entry DOI: 10.7270/Q2KW5G5S
More data for this
Ligand-Target Pair
Beta-lactamase


(Pseudomonas aeruginosa (PAO1))		BDBM50309909
PNG
((1S,5R)-2-(azonan-5-ylcarbamoyl)-7-oxo-2,6-diazabi...)
Show SMILES OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)NC1CCCCNCCC1 |r|
Show InChI InChI=1S/C14H24N4O5S/c19-13-12-11(18(13)24(21,22)23)6-9-17(12)14(20)16-10-4-1-2-7-15-8-3-5-10/h10-12,15H,1-9H2,(H,16,20)(H,21,22,23)/t10?,11-,12+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Merck Research Labs

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa beta lactamase AmpC by spectrophotometry

Bioorg Med Chem Lett 20: 918-21 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.069
BindingDB Entry DOI: 10.7270/Q2KW5G5S
More data for this
Ligand-Target Pair
Beta-lactamase


(Pseudomonas aeruginosa (PAO1))		BDBM50309909
PNG
((1S,5R)-2-(azonan-5-ylcarbamoyl)-7-oxo-2,6-diazabi...)
Show SMILES OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)NC1CCCCNCCC1 |r|
Show InChI InChI=1S/C14H24N4O5S/c19-13-12-11(18(13)24(21,22)23)6-9-17(12)14(20)16-10-4-1-2-7-15-8-3-5-10/h10-12,15H,1-9H2,(H,16,20)(H,21,22,23)/t10?,11-,12+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Merck Research Labs

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa beta lactamase AmpC by spectrophotometry

Bioorg Med Chem Lett 20: 918-21 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.069
BindingDB Entry DOI: 10.7270/Q2KW5G5S
More data for this
Ligand-Target Pair
Beta-lactamase


(Pseudomonas aeruginosa (PAO1))		BDBM50309900
PNG
((1S,5R)-2-((R)-azepan-4-ylcarbamoyl)-7-oxo-2,6-dia...)
Show SMILES OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)N[C@@H]1CCCNCC1 |r|
Show InChI InChI=1S/C12H20N4O5S/c17-11-10-9(16(11)22(19,20)21)4-7-15(10)12(18)14-8-2-1-5-13-6-3-8/h8-10,13H,1-7H2,(H,14,18)(H,19,20,21)/t8-,9-,10+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Merck Research Labs

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa beta lactamase AmpC by spectrophotometry

Bioorg Med Chem Lett 20: 918-21 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.069
BindingDB Entry DOI: 10.7270/Q2KW5G5S
More data for this
Ligand-Target Pair
Beta-lactamase


(Pseudomonas aeruginosa (PAO1))		BDBM50309898
PNG
((1S,5R)-7-oxo-2-(piperidin-4-ylcarbamoyl)-2,6-diaz...)
Show SMILES OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)NC1CCNCC1 |r|
Show InChI InChI=1S/C11H18N4O5S/c16-10-9-8(15(10)21(18,19)20)3-6-14(9)11(17)13-7-1-4-12-5-2-7/h7-9,12H,1-6H2,(H,13,17)(H,18,19,20)/t8-,9+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 6.80E+3n/an/an/an/an/an/a



Merck Research Labs

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa beta lactamase AmpC by spectrophotometry

Bioorg Med Chem Lett 20: 918-21 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.069
BindingDB Entry DOI: 10.7270/Q2KW5G5S
More data for this
Ligand-Target Pair
Beta-lactamase


(Pseudomonas aeruginosa (PAO1))		BDBM50309902
PNG
((1S,5R)-2-(1,4-diazepan-6-ylcarbamoyl)-7-oxo-2,6-d...)
Show SMILES OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)NC1CNCCNC1 |r|
Show InChI InChI=1S/C11H19N5O5S/c17-10-9-8(16(10)22(19,20)21)1-4-15(9)11(18)14-7-5-12-2-3-13-6-7/h7-9,12-13H,1-6H2,(H,14,18)(H,19,20,21)/t8-,9+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 1.70E+4n/an/an/an/an/an/a



Merck Research Labs

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa beta lactamase AmpC by spectrophotometry

Bioorg Med Chem Lett 20: 918-21 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.069
BindingDB Entry DOI: 10.7270/Q2KW5G5S
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%