Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 267.1 BDBM50518907

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

Found 1 hit 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)	BDBM50518907 (CHEMBL4472399) Show SMILES C[C@H](CS)C(=O)N[C@@H](B(O)O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C12H18BNO3S/c1-8-3-5-10(6-4-8)11(13(16)17)14-12(15)9(2)7-18/h3-6,9,11,16-18H,7H2,1-2H3,(H,14,15)/t9-,11-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
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