Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 294.2 BDBM50218934

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)	BDBM50218934 (CHEMBL395017 | sodium (8S,9R)-10(E)-ethylidene-4(S...) Show SMILES C\C=C1/[C@H]2[C@H]3CCC[C@H](OCCF)C3=C(N2C1=O)C([O-])=O |c:14| Show InChI InChI=1S/C15H18FNO4/c1-2-8-12-9-4-3-5-10(21-7-6-16)11(9)13(15(19)20)17(12)14(8)18/h2,9-10,12H,3-7H2,1H3,(H,19,20)/p-1/b8-2+/t9-,10-,12-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	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))	BDBM50218934 (CHEMBL395017 | sodium (8S,9R)-10(E)-ethylidene-4(S...) Show SMILES C\C=C1/[C@H]2[C@H]3CCC[C@H](OCCF)C3=C(N2C1=O)C([O-])=O |c:14| Show InChI InChI=1S/C15H18FNO4/c1-2-8-12-9-4-3-5-10(21-7-6-16)11(9)13(15(19)20)17(12)14(8)18/h2,9-10,12H,3-7H2,1H3,(H,19,20)/p-1/b8-2+/t9-,10-,12-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	148	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)	BDBM50218934 (CHEMBL395017 | sodium (8S,9R)-10(E)-ethylidene-4(S...) Show SMILES C\C=C1/[C@H]2[C@H]3CCC[C@H](OCCF)C3=C(N2C1=O)C([O-])=O |c:14| Show InChI InChI=1S/C15H18FNO4/c1-2-8-12-9-4-3-5-10(21-7-6-16)11(9)13(15(19)20)17(12)14(8)18/h2,9-10,12H,3-7H2,1H3,(H,19,20)/p-1/b8-2+/t9-,10-,12-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.02E+3	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