BindingDB PrimarySearch

BDBM50033680 CHEMBL268919::Sodium; (R)-3-acetoxymethyl-7-[1-tert-butoxycarbonyl-meth-(Z)-ylidene]-5,5,8-trioxo-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylate

SMILES: CC(=O)OCC1=C(N2[C@@H](\C(=C/C(=O)OC(C)(C)C)C2=O)S(=O)(=O)C1)C([O-])=O

InChI Key: InChIKey=LQVZDTYWLLBGHZ-XTXQVDMPSA-M

Data: 9 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50033680
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 (Enterobacter cloacae)	BDBM50033680 (CHEMBL268919 \| Sodium; (R)-3-acetoxymethyl-7-[1-te...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against beta-Lactamase enzyme derived from Enterobacter cloacae P99				Bioorg Med Chem Lett 5: 1513-1518 (1995) Article DOI: 10.1016/0960-894X(95)00249-S BindingDB Entry DOI: 10.7270/Q2ZW1MDG
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase (Staphylococcus aureus)	BDBM50033680 (CHEMBL268919 \| Sodium; (R)-3-acetoxymethyl-7-[1-te...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description The compound was evaluated for inhibition against Beta-lactamase TEM derived from Staphylococcus aureus				Bioorg Med Chem Lett 10: 847-51 (2000) BindingDB Entry DOI: 10.7270/Q2NG4PVB
Southern Methodist University Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase (TEM-1) (Escherichia coli)	BDBM50033680 (CHEMBL268919 \| Sodium; (R)-3-acetoxymethyl-7-[1-te...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description The concentration of compound to inhibit beta-lactamase was measured on E. coli WC3310				J Med Chem 38: 1022-34 (1995) BindingDB Entry DOI: 10.7270/Q29S1Q29
Southern Methodist University Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50033680 (CHEMBL268919 \| Sodium; (R)-3-acetoxymethyl-7-[1-te...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description The concentration of compound to inhibit beta-lactamase was measured on Enterobacter cloacae P99				J Med Chem 38: 1022-34 (1995) BindingDB Entry DOI: 10.7270/Q29S1Q29
Southern Methodist University Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50033680 (CHEMBL268919 \| Sodium; (R)-3-acetoxymethyl-7-[1-te...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of IL-1 beta converting enzyme (ICE) in human blood monocytes expressed as Kon				Bioorg Med Chem Lett 5: 1513-1518 (1995) Article DOI: 10.1016/0960-894X(95)00249-S BindingDB Entry DOI: 10.7270/Q2ZW1MDG
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase class C (Enterobacter cloacae)	BDBM50033680 (CHEMBL268919 \| Sodium; (R)-3-acetoxymethyl-7-[1-te...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of Class C beta-lactamase from E. cloacae strain P99				Bioorg Med Chem Lett 10: 847-51 (2000) BindingDB Entry DOI: 10.7270/Q2NG4PVB
Southern Methodist University Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase (TEM-1) (Escherichia coli)	BDBM50033680 (CHEMBL268919 \| Sodium; (R)-3-acetoxymethyl-7-[1-te...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against beta-Lactamase enzyme derived from Escherichia coli WC3310 TEM-2				Bioorg Med Chem Lett 5: 1513-1518 (1995) Article DOI: 10.1016/0960-894X(95)00249-S BindingDB Entry DOI: 10.7270/Q2ZW1MDG
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase (Staphylococcus aureus)	BDBM50033680 (CHEMBL268919 \| Sodium; (R)-3-acetoxymethyl-7-[1-te...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.77E+5	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description The compound was evaluated for inhibition against Beta-lactamase derived from Staphylococcus aureus				Bioorg Med Chem Lett 10: 847-51 (2000) BindingDB Entry DOI: 10.7270/Q2NG4PVB
Southern Methodist University Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50033680 (CHEMBL268919 \| Sodium; (R)-3-acetoxymethyl-7-[1-te...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description The concentration of compound to inhibit beta-lactamase was measured on E. cloacae SC 12368				J Med Chem 38: 1022-34 (1995) BindingDB Entry DOI: 10.7270/Q29S1Q29
Southern Methodist University Curated by ChEMBL					More data for this Ligand-Target Pair