Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 340.1 BDBM50505403

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

Found 2 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)	BDBM50505403 (CHEMBL4533632) Show SMILES NCc1ccc(cc1)C(=O)N[C@H]1Cc2cccc(C(O)=O)c2OB1O |r| Show InChI InChI=1S/C17H17BN2O5/c19-9-10-4-6-11(7-5-10)16(21)20-14-8-12-2-1-3-13(17(22)23)15(12)25-18(14)24/h1-7,14,24H,8-9,19H2,(H,20,21)(H,22,23)/t14-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant bacterial class A serine beta-lactamase TEM-1 expressed in Escherichia coli assessed as reduction in breakdown of cephalosp...				J Med Chem 62: 8544-8556 (2019) Article DOI: 10.1021/acs.jmedchem.9b00911 BindingDB Entry DOI: 10.7270/Q2P272DC
					More data for this Ligand-Target Pair
Beta-lactamase ()	BDBM50505403 (CHEMBL4533632) Show SMILES NCc1ccc(cc1)C(=O)N[C@H]1Cc2cccc(C(O)=O)c2OB1O |r| Show InChI InChI=1S/C17H17BN2O5/c19-9-10-4-6-11(7-5-10)16(21)20-14-8-12-2-1-3-13(17(22)23)15(12)25-18(14)24/h1-7,14,24H,8-9,19H2,(H,20,21)(H,22,23)/t14-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa class D serine beta-lactamase OXA-10 expressed in Escherichia coli BL21(DE3) cells assessed as reduction in brea...				J Med Chem 62: 8544-8556 (2019) Article DOI: 10.1021/acs.jmedchem.9b00911 BindingDB Entry DOI: 10.7270/Q2P272DC
					More data for this Ligand-Target Pair