Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 276.3 BDBM50218933

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

Found 3 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 TEM (Escherichia coli)	BDBM50218933 (CHEMBL230859 | sodium (8R,9R)-10(E)-ethylidene-4(R...) Show SMILES CCO[C@@H]1CCC[C@H]2[C@H]3N(C(=O)\C3=C\C)C(C([O-])=O)=C12 |t:19| Show InChI InChI=1S/C15H19NO4/c1-3-8-12-9-6-5-7-10(20-4-2)11(9)13(15(18)19)16(12)14(8)17/h3,9-10,12H,4-7H2,1-2H3,(H,18,19)/p-1/b8-3+/t9-,10-,12+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d.d. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 50: 4113-21 (2007) Article DOI: 10.1021/jm0703237 BindingDB Entry DOI: 10.7270/Q2FF3T5F
					More data for this Ligand-Target Pair
Beta-lactamase SHV-1 (Klebsiella pneumoniae (Enterobacteria))	BDBM50218933 (CHEMBL230859 | sodium (8R,9R)-10(E)-ethylidene-4(R...) Show SMILES CCO[C@@H]1CCC[C@H]2[C@H]3N(C(=O)\C3=C\C)C(C([O-])=O)=C12 |t:19| Show InChI InChI=1S/C15H19NO4/c1-3-8-12-9-6-5-7-10(20-4-2)11(9)13(15(18)19)16(12)14(8)17/h3,9-10,12H,4-7H2,1-2H3,(H,18,19)/p-1/b8-3+/t9-,10-,12+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	284	n/a	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d.d. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli SHV1				J Med Chem 50: 4113-21 (2007) Article DOI: 10.1021/jm0703237 BindingDB Entry DOI: 10.7270/Q2FF3T5F
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50218933 (CHEMBL230859 | sodium (8R,9R)-10(E)-ethylidene-4(R...) Show SMILES CCO[C@@H]1CCC[C@H]2[C@H]3N(C(=O)\C3=C\C)C(C([O-])=O)=C12 |t:19| Show InChI InChI=1S/C15H19NO4/c1-3-8-12-9-6-5-7-10(20-4-2)11(9)13(15(18)19)16(12)14(8)17/h3,9-10,12H,4-7H2,1-2H3,(H,18,19)/p-1/b8-3+/t9-,10-,12+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	295	n/a	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d.d. Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae AmpC				J Med Chem 50: 4113-21 (2007) Article DOI: 10.1021/jm0703237 BindingDB Entry DOI: 10.7270/Q2FF3T5F
					More data for this Ligand-Target Pair