Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 313.1 BDBM50247467

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)	BDBM50247467 (CHEMBL4083640) Show SMILES OC(=O)c1ccc(cc1CS)-c1cccc(Cl)c1Cl Show InChI InChI=1S/C14H10Cl2O2S/c15-12-3-1-2-10(13(12)16)8-4-5-11(14(17)18)9(6-8)7-19/h1-6,19H,7H2,(H,17,18)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Leeds Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His-tagged bacterial Escherichia coli TEM-1 (24 to 286 residues) expressed in Escherichia coli BL21 (DE3) cells ...				J Med Chem 61: 1255-1260 (2018) Article DOI: 10.1021/acs.jmedchem.7b01728 BindingDB Entry DOI: 10.7270/Q2GQ716Z
					More data for this Ligand-Target Pair
Beta-lactamase OXA-10 (Pseudomonas aeruginosa)	BDBM50247467 (CHEMBL4083640) Show SMILES OC(=O)c1ccc(cc1CS)-c1cccc(Cl)c1Cl Show InChI InChI=1S/C14H10Cl2O2S/c15-12-3-1-2-10(13(12)16)8-4-5-11(14(17)18)9(6-8)7-19/h1-6,19H,7H2,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.73E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Leeds Curated by ChEMBL					Assay Description Inhibition of recombinant Pseudomonas aeruginosa OXA-10 expressed in Escherichia coli BL21 (DE3) cells using FC5 as substrate preincubated up to 360 ...				J Med Chem 61: 1255-1260 (2018) Article DOI: 10.1021/acs.jmedchem.7b01728 BindingDB Entry DOI: 10.7270/Q2GQ716Z
					More data for this Ligand-Target Pair