BindingDB PrimarySearch

BDBM50021954 (2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid::(S)-3,3-Dimethyl-7-(R)-oxo-4,4-dioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid::3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid::3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid (Sulbactam)::CHEMBL403::CP-45,899::SULBACTAM::UNASYN::US9120808, Sulbactam sodium salt

SMILES: CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O

InChI Key: InChIKey=FKENQMMABCRJMK-RITPCOANSA-N

Data: 3 KI 51 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 53 hits for monomerid = 50021954
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Beta-lactamase (TEM-1) (Escherichia coli)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-CERCOA Curated by ChEMBL					Assay Description Inhibition constant (Ki) for TEM-1 beta-lactamase				J Med Chem 31: 370-4 (1988) Article DOI: 10.1021/jm00397a018 BindingDB Entry DOI: 10.7270/Q21R6PHS
CNRS-CERCOA Curated by ChEMBL					More data for this Ligand-Target Pair
SHV-1 beta-lactamase (Klebsiella pneumoniae (Enterobacteria))	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.50E+3	n/a	3.40E+3	n/a	n/a	n/a	n/a	7.4	n/a
Case Western Reserve University					Assay Description Steady state kinetics were performed on an Agilent 8453 diode array spectrophotometer in 10 mM phosphate-buffered saline (pH 7.4). IC50, defined as t...				Biochemistry 54: 734-43 (2015) Article DOI: 10.1021/bi501197t BindingDB Entry DOI: 10.7270/Q2736PNW
Case Western Reserve University					More data for this Ligand-Target Pair				3D Structure (crystal)
Class A carbapenemase KPC-2 (Escherichia coli)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar	Purchase CHEBI CHEMBL DrugBank 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
Case Western Reserve University Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase 1 (Bacillus cereus)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Beta-lactamase of Bacillus cereus (class A enzyme) without preincubation				Bioorg Med Chem Lett 5: 2037-2040 (1995) Article DOI: 10.1016/0960-894X(95)00348-W BindingDB Entry DOI: 10.7270/Q2X63MXR
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase (TEM-1) (Escherichia coli)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	800	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 coli 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
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank 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
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article 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) Article DOI: 10.1016/s0960-894x(99)00106-7 BindingDB Entry DOI: 10.7270/Q2TB163Q
Wyeth-Ayerst Research Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase (TEM-1) (Escherichia coli)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar	Purchase CHEBI CHEMBL DrugBank 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-Ayerst Research Curated by ChEMBL					Assay Description Inhibitory activity of the compound against TEM-1 (class A) beta-lactamase				Bioorg Med Chem Lett 9: 991-6 (1999) Article DOI: 10.1016/s0960-894x(99)00106-7 BindingDB Entry DOI: 10.7270/Q2TB163Q
Wyeth-Ayerst Research Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article 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) Article DOI: 10.1016/s0960-894x(99)00107-9 BindingDB Entry DOI: 10.7270/Q2PK0FBJ
Wyeth-Ayerst Research Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase (TEM-1) (Escherichia coli)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar	Purchase CHEBI CHEMBL DrugBank 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-Ayerst Research Curated by ChEMBL					Assay Description Inhibitory activity of the compound against TEM-1 (class A) beta-lactamase				Bioorg Med Chem Lett 9: 997-1002 (1999) Article DOI: 10.1016/s0960-894x(99)00107-9 BindingDB Entry DOI: 10.7270/Q2PK0FBJ
Wyeth-Ayerst Research Curated by ChEMBL					More data for this Ligand-Target Pair
Class D β-lactamase (OXA-1) (Escherichia coli (Enterobacteria))	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Beta-lactamase type OXA1 (penicillinase) from E. coli OXA1 using ampicillin (40 uM) as a substrate				J Med Chem 30: 1469-74 (1987) Article DOI: 10.1021/jm00391a032 BindingDB Entry DOI: 10.7270/Q28G8JQ0
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase (TEM-1) (Escherichia coli)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Beta-lactamase type TEM2 (penicillinase) from E. coli TEM2 using penicillin G (40 uM) as a substrate				J Med Chem 30: 1469-74 (1987) Article DOI: 10.1021/jm00391a032 BindingDB Entry DOI: 10.7270/Q28G8JQ0
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase (Staphylococcus aureus)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article 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) Article DOI: 10.1021/jm00391a032 BindingDB Entry DOI: 10.7270/Q28G8JQ0
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank 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-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against AmpC enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) Article DOI: 10.1016/s0960-894x(01)00148-2 BindingDB Entry DOI: 10.7270/Q2W958G8
Wyeth-Ayerst Research Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase (TEM-1) (Escherichia coli)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar	Purchase CHEBI CHEMBL DrugBank 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-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against TEM-1 enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) Article DOI: 10.1016/s0960-894x(01)00148-2 BindingDB Entry DOI: 10.7270/Q2W958G8
Wyeth-Ayerst Research Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase type II (Bacteroides fragilis)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	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 CCRA enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) Article DOI: 10.1016/s0960-894x(01)00148-2 BindingDB Entry DOI: 10.7270/Q2W958G8
Wyeth-Ayerst Research Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank 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
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank 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
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
Carbapenem-hydrolizing beta-lactamase SFC-1 (Serratia fonticola)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar	Purchase CHEBI CHEMBL DrugBank 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
University of Aveiro Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase ACC-4 (Escherichia coli)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	PDB KEGG UniProtKB/TrEMBL GoogleScholar	Purchase CHEBI CHEMBL DrugBank 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
Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Class D beta-lactamase (Brachyspira pilosicoli)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	KEGG UniProtKB/TrEMBL GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut Pasteur Curated by ChEMBL					Assay Description Inhibition of Brachyspira pilosicoli beta-lactamase OXA-63 expressed in Escherichia coli BL21 (DE3) assessed as reduction in nitrocefin hydrolysis by...				Antimicrob Agents Chemother 52: 1264-8 (2008) Article DOI: 10.1128/AAC.00684-07 BindingDB Entry DOI: 10.7270/Q26W9B91
Institut Pasteur Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase GES-13 (Pseudomonas aeruginosa)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar	Purchase CHEBI CHEMBL DrugBank 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
Hellenic Pasteur Institute Curated by ChEMBL					More data for this Ligand-Target Pair
ADC-16 protein (Acinetobacter genomosp. 3)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	PDB KEGG UniProtKB/TrEMBL GoogleScholar	Purchase CHEBI CHEMBL DrugBank 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
ADC-14 protein (Acinetobacter genomosp. 3)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	PDB KEGG UniProtKB/TrEMBL GoogleScholar	Purchase CHEBI CHEMBL DrugBank 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
ADC-18 protein (Acinetobacter genomosp. 3)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	PDB KEGG UniProtKB/TrEMBL GoogleScholar	Purchase CHEBI CHEMBL DrugBank 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 SHV-11 (Escherichia coli)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar	Purchase CHEBI CHEMBL DrugBank 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
University of Bordeaux 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
University of Bordeaux Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Extended-spectrum beta-lactamase PER-6 (Aeromonas allosaccharophila)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar	Purchase CHEBI CHEMBL DrugBank 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
Bicetre Hospital 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
Bicetre Hospital Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank 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
Novexel SA Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank 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
Novexel SA Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase 1 (Bacillus cereus)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Beta-lactamase of Bacillus cereus (class A enzyme) without preincubation				Bioorg Med Chem Lett 5: 2037-2040 (1995) Article DOI: 10.1016/0960-894X(95)00348-W BindingDB Entry DOI: 10.7270/Q2X63MXR
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase (Bacillus clausii)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	UniProtKB/TrEMBL GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
H�pital de Bic�tre Curated by ChEMBL					Assay Description Inhibition of Bacillus clausii NR beta-lactamase BCL1 expressed in Escherichia coli BL21 (DE3)				Antimicrob Agents Chemother 51: 4009-14 (2007) Article DOI: 10.1128/AAC.00537-07 BindingDB Entry DOI: 10.7270/Q20R9QBS
H�pital de Bic�tre Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase SCO-1 (Escherichia coli)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	KEGG UniProtKB/TrEMBL GoogleScholar	Purchase CHEBI CHEMBL DrugBank 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
Institut Pasteur Hellenique Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase (TEM-1) (Escherichia coli)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.30E+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 K12 TEM1				Antimicrob Agents Chemother 51: 2185-8 (2007) Article DOI: 10.1128/AAC.01439-06 BindingDB Entry DOI: 10.7270/Q2028SFP
Institut Pasteur Hellenique Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase (Proteus mirabilis)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank 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
TBA					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank 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
TBA					More data for this Ligand-Target Pair
Beta-lactamase (Citrobacter freundii)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank 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
TBA					More data for this Ligand-Target Pair
Beta-lactamase (TEM-1) (Escherichia coli)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	557	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against Escherichia coli HA58R Class-III TEM-1 type beta-lactamase enzyme				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1P2T
TBA					More data for this Ligand-Target Pair
SHV-1 beta-lactamase (Klebsiella pneumoniae (Enterobacteria))	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB	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 Escherichia coli HA208 Class-III SHV-1 type beta-lactamase enzyme				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1P2T
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase (Staphylococcus aureus)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank 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
TBA					More data for this Ligand-Target Pair
Beta-lactamase type II (Bacteroides fragilis)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	2.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against Bacteroides fragilis 88854 Class-I beta-lactamase enzyme				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1P2T
TBA					More data for this Ligand-Target Pair
Class D β-lactamase (OXA-1) (Escherichia coli (Enterobacteria))	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against Escherichia coli HA209 Class-V OXA-1 type beta-lactamase enzyme				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1P2T
TBA					More data for this Ligand-Target Pair
Beta-lactamase (Klebsiella oxytoca)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar	Purchase CHEBI CHEMBL DrugBank 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
TBA					More data for this Ligand-Target Pair
Beta-lactamase BRO-1 (Moraxella catarrhalis)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against Branhamella catarrhalis 89001 Class-III BRO-1 type beta-lactamase enzyme				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1P2T
TBA					More data for this Ligand-Target Pair
Bacterial beta-lactamase TEM (Escherichia coli)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Beta-lactamase type TEM2 (penicillinase) from E. coli TEM2 using penicillin G (40 uM) as a substrate				J Med Chem 30: 1469-74 (1987) Article DOI: 10.1021/jm00391a032 BindingDB Entry DOI: 10.7270/Q28G8JQ0
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...				Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Canalicular multispecific organic anion transporter 1 (Homo sapiens (Human))	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...				Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Canalicular multispecific organic anion transporter 2 (Homo sapiens (Human))	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...				Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 4 (Homo sapiens (Human))	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...				Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	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) BindingDB Entry DOI: 10.7270/Q2G163PS
H�pital de Bic�tre Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase (TEM-1) (Escherichia coli)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	1.07E+3	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
NABRIVA THERAPEUTICS AG US Patent					More data for this Ligand-Target Pair

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