BDBM50114523 CHEMBL45273::Sodium; (R)-5,5,8-trioxo-7-[1-pyridin-2-yl-meth-(Z)-ylidene]-3-thiophen-2-yl-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylate

SMILES: [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)c1cccs1

InChI Key: InChIKey=RURJVRDSUIYPCT-JXMNSVBMSA-M

Data: 2 IC50

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 2 hits for monomerid = 50114523   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Beta-lactamase (Enterobacter cloacae)	BDBM50114523 (CHEMBL45273 | Sodium; (R)-5,5,8-trioxo-7-[1-pyridi...) Show SMILES [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)c1cccs1 |t:3| Show InChI InChI=1S/C17H12N2O5S2/c20-15-11(8-10-4-1-2-6-18-10)16-19(15)14(17(21)22)12(9-26(16,23)24)13-5-3-7-25-13/h1-8,16H,9H2,(H,21,22)/p-1/b11-8-/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibitory activity against Class C beta-lactamase				Bioorg Med Chem Lett 12: 1663-6 (2002) BindingDB Entry DOI: 10.7270/Q2MC8ZB3
					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM50114523 (CHEMBL45273 | Sodium; (R)-5,5,8-trioxo-7-[1-pyridi...) Show SMILES [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)c1cccs1 |t:3| Show InChI InChI=1S/C17H12N2O5S2/c20-15-11(8-10-4-1-2-6-18-10)16-19(15)14(17(21)22)12(9-26(16,23)24)13-5-3-7-25-13/h1-8,16H,9H2,(H,21,22)/p-1/b11-8-/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibitory activity against class A TEM-1 beta-lactamase				Bioorg Med Chem Lett 12: 1663-6 (2002) BindingDB Entry DOI: 10.7270/Q2MC8ZB3
					More data for this Ligand-Target Pair