Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 320.5 BDBM50469662Purchase

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

Found 4 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 (Enterobacter cloacae)	BDBM50469662 (CHEBI:59111 | CHEMBL8087) Show SMILES CCCCCCCCCCCCCCCc1cccc(O)c1O Show InChI InChI=1S/C21H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(22)21(19)23/h15,17-18,22-23H,2-14,16H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article	n/a	n/a	9.04E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Concentration required for its inhibitory activity against Enterobacter cloacae P99 class C beta-lactamase				Citation and Details Article DOI: 10.1016/S0960-894X(01)80506-0 BindingDB Entry DOI: 10.7270/Q21V5HPM
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50469662 (CHEBI:59111 | CHEMBL8087) Show SMILES CCCCCCCCCCCCCCCc1cccc(O)c1O Show InChI InChI=1S/C21H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(22)21(19)23/h15,17-18,22-23H,2-14,16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article	n/a	n/a	1.49E+8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Concentration required for its inhibitory activity against Pseudomonas aeruginosa class C beta-lactamase				Citation and Details Article DOI: 10.1016/S0960-894X(01)80506-0 BindingDB Entry DOI: 10.7270/Q21V5HPM
					More data for this Ligand-Target Pair
Beta-lactamase (Staphylococcus aureus)	BDBM50469662 (CHEBI:59111 | CHEMBL8087) Show SMILES CCCCCCCCCCCCCCCc1cccc(O)c1O Show InChI InChI=1S/C21H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(22)21(19)23/h15,17-18,22-23H,2-14,16H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article	n/a	n/a	2.15E+9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Concentration required for its inhibitory activity against Staphylococcus aureus Russel class A beta-lactamase				Citation and Details Article DOI: 10.1016/S0960-894X(01)80506-0 BindingDB Entry DOI: 10.7270/Q21V5HPM
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50469662 (CHEBI:59111 | CHEMBL8087) Show SMILES CCCCCCCCCCCCCCCc1cccc(O)c1O Show InChI InChI=1S/C21H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(22)21(19)23/h15,17-18,22-23H,2-14,16H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article	n/a	n/a	2.15E+9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Concentration required for its inhibitory activity against Escherichia coli JT4(TEM1) class A beta-lactamase				Citation and Details Article DOI: 10.1016/S0960-894X(01)80506-0 BindingDB Entry DOI: 10.7270/Q21V5HPM
					More data for this Ligand-Target Pair