Compile Data Set for Download or QSAR

Found 27 hits Enz. Inhib. hit(s) with Target = 'Beta-lactamase' and Ligand = 'BDBM50021954'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Beta-lactamase (Escherichia coli)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...) Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.67E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Case Western Reserve University Curated by ChEMBL					Assay Description Inhibition of Klebsiella pneumoniae 1534 beta-lactamase KPC-2 by competitive assay				Antimicrob Agents Chemother 54: 2867-77 (2010) Article DOI: 10.1128/AAC.00197-10 BindingDB Entry DOI: 10.7270/Q2QJ7HJP
					More data for this Ligand-Target Pair
Beta-lactamase (Proteus mirabilis)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...) Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	342	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against Proteus vulgaris HJ33C Class-I beta-lactamase enzyme				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1P2T
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...) Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Hellenic Pasteur Institute Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa GES-13 beta lactamase				Antimicrob Agents Chemother 54: 1331-3 (2010) Article DOI: 10.1128/AAC.01561-09 BindingDB Entry DOI: 10.7270/Q29C6XN5
					More data for this Ligand-Target Pair
Beta-lactamase (Citrobacter freundii)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...) Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	857	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against Citrobacter freundii 87470 Class-I beta-lactamase enzyme				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1P2T
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...) Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for beta-lactamase inhibition activity of Escherichia cloacae after 15 min of preincubation with the enzyme at 37 degree C				Bioorg Med Chem Lett 7: 2217-2222 (1997) Article DOI: 10.1016/S0960-894X(97)00401-0 BindingDB Entry DOI: 10.7270/Q2M32VR6
					More data for this Ligand-Target Pair
Beta-lactamase (Acinetobacter genomosp. 3)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...) Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Complejo Hospitalario Universitario Juan Canalejo-INIBIC Curated by ChEMBL					Assay Description Inhibition of Acinetobacter genomosp. 3 isolate 65 ADC-14				Antimicrob Agents Chemother 53: 1177-84 (2009) Article DOI: 10.1128/AAC.00485-08 BindingDB Entry DOI: 10.7270/Q2CN7454
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...) Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against Beta-lactamase TEM-1 of class A enzyme				J Med Chem 46: 2569-71 (2003) Article DOI: 10.1021/jm034056q BindingDB Entry DOI: 10.7270/Q2W66K59
					More data for this Ligand-Target Pair
Beta-lactamase (Klebsiella oxytoca)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...) Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	1.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against Klebsiella oxytoca HC7 Class-IV K1 type beta-lactamase enzyme				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1P2T
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...) Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université de Bordeaux 2 Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 beta-lactamase SHV-11				Antimicrob Agents Chemother 52: 3792-4 (2008) Article DOI: 10.1128/AAC.00387-08 BindingDB Entry DOI: 10.7270/Q2DZ08JG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase (Pseudomonas aeruginosa)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...) Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
H�pital de Bic�tre Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa 51170 beta-lactamase BEL-1				Antimicrob Agents Chemother 54: 533-5 (2010) Article DOI: 10.1128/AAC.00859-09 BindingDB Entry DOI: 10.7270/Q2G163PS
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...) Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
H�pital de Bic�tre Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa 531 beta-lactamase BEL-2				Antimicrob Agents Chemother 54: 533-5 (2010) Article DOI: 10.1128/AAC.00859-09 BindingDB Entry DOI: 10.7270/Q2G163PS
					More data for this Ligand-Target Pair
Beta-lactamase (Staphylococcus aureus)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...) Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	3.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against Staphylococcus aureus CJ8 beta-lactamase enzyme				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1P2T
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...) Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	3.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against Enterobacter cloacae HC8 Class-I beta-lactamase enzyme type P99				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1P2T
					More data for this Ligand-Target Pair
Beta-lactamase (Aeromonas allosaccharophila)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...) Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of Aeromonas allosaccharophila AL-1 beta-lactamase PER6				Antimicrob Agents Chemother 54: 1619-22 (2010) Article DOI: 10.1128/AAC.01585-09 BindingDB Entry DOI: 10.7270/Q2H995HK
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...) Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut Pasteur Hellenique Curated by ChEMBL					Assay Description Inhibition of Escherichia coli beta-lactamase SCO1				Antimicrob Agents Chemother 51: 2185-8 (2007) Article DOI: 10.1128/AAC.01439-06 BindingDB Entry DOI: 10.7270/Q2028SFP
					More data for this Ligand-Target Pair
Beta-lactamase (Staphylococcus aureus)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...) Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Penicillinase from Staphylococcus aureus TH-14 using piperacillin (40 uM) as a substrate				J Med Chem 30: 1469-74 (1987) BindingDB Entry DOI: 10.7270/Q28G8JQ0
					More data for this Ligand-Target Pair
Beta-lactamase (Acinetobacter genomosp. 3)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...) Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
Complejo Hospitalario Universitario Juan Canalejo-INIBIC Curated by ChEMBL					Assay Description Inhibition of Acinetobacter genomosp. 3 isolate 103 ADC-16				Antimicrob Agents Chemother 53: 1177-84 (2009) Article DOI: 10.1128/AAC.00485-08 BindingDB Entry DOI: 10.7270/Q2CN7454
					More data for this Ligand-Target Pair
Beta-lactamase (Acinetobacter genomosp. 3)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...) Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
Complejo Hospitalario Universitario Juan Canalejo-INIBIC Curated by ChEMBL					Assay Description Inhibition of Acinetobacter genomosp. 3 isolate 195 ADC-18				Antimicrob Agents Chemother 53: 1177-84 (2009) Article DOI: 10.1128/AAC.00485-08 BindingDB Entry DOI: 10.7270/Q2CN7454
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...) Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novexel SA Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae beta-lactamase P99 assessed as nitrocefin hydrolysis after 5 mins enzyme-compound preincubation				Antimicrob Agents Chemother 54: 5132-8 (2010) Article DOI: 10.1128/AAC.00568-10 BindingDB Entry DOI: 10.7270/Q2CJ8DSV
					More data for this Ligand-Target Pair
Beta-lactamase (Serratia fonticola)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...) Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.27E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Aveiro Curated by ChEMBL					Assay Description Inhibition of Serratia fonticola UTAD54 SFC1 beta lactamase expressed in Escherichia coli BL21(DE3) by SDS-PAGE				Antimicrob Agents Chemother 51: 4512-4 (2007) Article DOI: 10.1128/AAC.00491-07 BindingDB Entry DOI: 10.7270/Q2PK0FX5
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...) Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	2.55E+4	n/a	n/a	n/a	n/a	7.0	37
NABRIVA THERAPEUTICS AG US Patent					Assay Description The inhibitory concentrations (IC50, [uM]) of the beta -lactamase inhibitors against purified TEM-1, SHV-1 and AmpC beta -lactamases are assessed by ...				US Patent US9120808 (2015) BindingDB Entry DOI: 10.7270/Q2Q81BT5
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...) Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novexel SA Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa beta-lactamase AmpC assessed as nitrocefin hydrolysis after 5 mins enzyme-compound preincubation				Antimicrob Agents Chemother 54: 5132-8 (2010) Article DOI: 10.1128/AAC.00568-10 BindingDB Entry DOI: 10.7270/Q2CJ8DSV
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...) Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	6.59E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibitory activity of the compound against AmpC (class C) beta-lactamase				Bioorg Med Chem Lett 9: 991-6 (1999) BindingDB Entry DOI: 10.7270/Q2TB163Q
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...) Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	6.59E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibitory activity of the compound against AmpC (class C) beta-lactamase				Bioorg Med Chem Lett 9: 997-1002 (1999) BindingDB Entry DOI: 10.7270/Q2PK0FBJ
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...) Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	6.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against AmpC enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8
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Beta-lactamase (Enterobacter cloacae)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...) Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against Beta-lactamase AmpC of class C enzyme				J Med Chem 46: 2569-71 (2003) Article DOI: 10.1021/jm034056q BindingDB Entry DOI: 10.7270/Q2W66K59
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...) Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Escherichia coli beta-lactamase ACC4				Antimicrob Agents Chemother 51: 3763-7 (2007) Article DOI: 10.1128/AAC.00389-07 BindingDB Entry DOI: 10.7270/Q2222THB
					More data for this Ligand-Target Pair