BDBM50099196 (2S,5R)-3,3-Dimethyl-4,4,7-trioxo-6-((E)-4-oxo-but-2-enyl)-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid::CHEMBL6286

SMILES: CC1(C)[C@@H](N2[C@@H](C(C\C=C\C=O)C2=O)S1(=O)=O)C(O)=O

InChI Key: InChIKey=APLLQHCDOOGSFW-OQAFJANISA-N

Data: 3 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 3 hits for monomerid = 50099196   

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 type II (Bacteroides fragilis)	BDBM50099196 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-6-((E)-4-oxo-but...) Show SMILES CC1(C)[C@@H](N2[C@@H](C(C\C=C\C=O)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C12H15NO6S/c1-12(2)8(11(16)17)13-9(15)7(5-3-4-6-14)10(13)20(12,18)19/h3-4,6-8,10H,5H2,1-2H3,(H,16,17)/b4-3+/t7?,8-,10+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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) BindingDB Entry DOI: 10.7270/Q2W958G8
					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM50099196 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-6-((E)-4-oxo-but...) Show SMILES CC1(C)[C@@H](N2[C@@H](C(C\C=C\C=O)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C12H15NO6S/c1-12(2)8(11(16)17)13-9(15)7(5-3-4-6-14)10(13)20(12,18)19/h3-4,6-8,10H,5H2,1-2H3,(H,16,17)/b4-3+/t7?,8-,10+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+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) BindingDB Entry DOI: 10.7270/Q2W958G8
					More data for this Ligand-Target Pair
Beta-lactamase (TEM-1) (Escherichia coli)	BDBM50099196 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-6-((E)-4-oxo-but...) Show SMILES CC1(C)[C@@H](N2[C@@H](C(C\C=C\C=O)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C12H15NO6S/c1-12(2)8(11(16)17)13-9(15)7(5-3-4-6-14)10(13)20(12,18)19/h3-4,6-8,10H,5H2,1-2H3,(H,16,17)/b4-3+/t7?,8-,10+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+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 TEM-1 enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8
					More data for this Ligand-Target Pair