Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 389.3 BDBM50088834

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   

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 (Enterobacter cloacae)	BDBM50088834 (CHEMBL169392 | Sodium; 3-((E)-2-methoxycarbonyl-vi...) Show SMILES COC(=O)\C=C\C1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:6| Show InChI InChI=1S/C17H14N2O7S/c1-26-13(20)6-5-10-9-27(24,25)16-12(8-11-4-2-3-7-18-11)15(21)19(16)14(10)17(22)23/h2-8,16H,9H2,1H3,(H,22,23)/p-1/b6-5+,12-8-	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of class A TEM-1 beta-lactamase derived from Enterobacter cloacae				Bioorg Med Chem Lett 10: 853-7 (2000) BindingDB Entry DOI: 10.7270/Q2HQ3Z41
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50088834 (CHEMBL169392 | Sodium; 3-((E)-2-methoxycarbonyl-vi...) Show SMILES COC(=O)\C=C\C1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:6| Show InChI InChI=1S/C17H14N2O7S/c1-26-13(20)6-5-10-9-27(24,25)16-12(8-11-4-2-3-7-18-11)15(21)19(16)14(10)17(22)23/h2-8,16H,9H2,1H3,(H,22,23)/p-1/b6-5+,12-8-	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of alpha4-beta1 VCAM binding in Jurkat cell adhesion assay				Bioorg Med Chem Lett 10: 853-7 (2000) BindingDB Entry DOI: 10.7270/Q2HQ3Z41
					More data for this Ligand-Target Pair
Beta-lactamase (Staphylococcus aureus)	BDBM50088834 (CHEMBL169392 | Sodium; 3-((E)-2-methoxycarbonyl-vi...) Show SMILES COC(=O)\C=C\C1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:6| Show InChI InChI=1S/C17H14N2O7S/c1-26-13(20)6-5-10-9-27(24,25)16-12(8-11-4-2-3-7-18-11)15(21)19(16)14(10)17(22)23/h2-8,16H,9H2,1H3,(H,22,23)/p-1/b6-5+,12-8-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of class A beta-lactamase derived from Staphylococcus aureus strain PC1				Bioorg Med Chem Lett 10: 853-7 (2000) BindingDB Entry DOI: 10.7270/Q2HQ3Z41
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50088834 (CHEMBL169392 | Sodium; 3-((E)-2-methoxycarbonyl-vi...) Show SMILES COC(=O)\C=C\C1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:6| Show InChI InChI=1S/C17H14N2O7S/c1-26-13(20)6-5-10-9-27(24,25)16-12(8-11-4-2-3-7-18-11)15(21)19(16)14(10)17(22)23/h2-8,16H,9H2,1H3,(H,22,23)/p-1/b6-5+,12-8-	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of GC1 extended spectrum class C beta-lactamase				Bioorg Med Chem Lett 10: 853-7 (2000) BindingDB Entry DOI: 10.7270/Q2HQ3Z41
					More data for this Ligand-Target Pair