Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 290.3 BDBM50218938

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)	BDBM50218938 (CHEMBL396753 | sodium (8S,9R)-10(E)-ethylidene-4(S...) Show SMILES C\C=C1/[C@H]2[C@H]3CCC[C@H](OC(C)C)C3=C(N2C1=O)C([O-])=O |c:14| Show InChI InChI=1S/C16H21NO4/c1-4-9-13-10-6-5-7-11(21-8(2)3)12(10)14(16(19)20)17(13)15(9)18/h4,8,10-11,13H,5-7H2,1-3H3,(H,19,20)/p-1/b9-4+/t10-,11-,13-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	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))	BDBM50218938 (CHEMBL396753 | sodium (8S,9R)-10(E)-ethylidene-4(S...) Show SMILES C\C=C1/[C@H]2[C@H]3CCC[C@H](OC(C)C)C3=C(N2C1=O)C([O-])=O |c:14| Show InChI InChI=1S/C16H21NO4/c1-4-9-13-10-6-5-7-11(21-8(2)3)12(10)14(16(19)20)17(13)15(9)18/h4,8,10-11,13H,5-7H2,1-3H3,(H,19,20)/p-1/b9-4+/t10-,11-,13-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	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)	BDBM50218938 (CHEMBL396753 | sodium (8S,9R)-10(E)-ethylidene-4(S...) Show SMILES C\C=C1/[C@H]2[C@H]3CCC[C@H](OC(C)C)C3=C(N2C1=O)C([O-])=O |c:14| Show InChI InChI=1S/C16H21NO4/c1-4-9-13-10-6-5-7-11(21-8(2)3)12(10)14(16(19)20)17(13)15(9)18/h4,8,10-11,13H,5-7H2,1-3H3,(H,19,20)/p-1/b9-4+/t10-,11-,13-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	341	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