BDBM50339145 CHEMBL1689063::trans-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octan-2-carboxamide

SMILES: C1C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)O)C(=O)N

InChI Key: InChIKey=NDCUAPJVLWFHHB-UHFFFAOYSA-N

Data: 4 KI  10 IC50

PDB links: 3 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50339145   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Beta-lactamase TEM (Escherichia coli)	BDBM50339145 (trans-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oc...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacillus cereus)	BDBM50339145 (trans-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oc...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	141	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50339145 (trans-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oc...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50339145 (trans-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oc...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC (Klebsiella oxytoca)	BDBM50339145 (trans-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oc...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	186	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50339145 (trans-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oc...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	923	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Beta-lactamase OXA-1 (Escherichia coli)	BDBM50339145 (trans-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oc...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
OXA23 carbapenemase (Acinetobacter baumannii)	BDBM50339145 (trans-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oc...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50339145 (trans-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oc...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)	BDBM50339145 (trans-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oc...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	128	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC (Klebsiella oxytoca)	BDBM50339145 (trans-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oc...) Show SMILES Show InChI	GoogleScholar	UniChem		11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
OXA23 carbapenemase (Acinetobacter baumannii)	BDBM50339145 (trans-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oc...) Show SMILES Show InChI	GoogleScholar	UniChem		1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50339145 (trans-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oc...) Show SMILES Show InChI	GoogleScholar	UniChem		7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Pseudomonas aeruginosa (g-Proteobacteria))	BDBM50339145 (trans-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oc...) Show SMILES Show InChI	GoogleScholar	UniChem		>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair