Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 385.4 BDBM50081037

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 (Escherichia coli)	BDBM50081037 ((R)-3-Biphenyl-4-yl-2-((R)-2-propionylamino-propio...) Show SMILES CCC(=O)N[C@H](C)C(=O)S[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O Show InChI InChI=1S/C21H23NO4S/c1-3-19(23)22-14(2)21(26)27-18(20(24)25)13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12,14,18H,3,13H2,1-2H3,(H,22,23)(H,24,25)/t14-,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratorie Curated by ChEMBL					Assay Description Inhibitory activity against CCRA (B. fragilis) metallo-beta-lactamase				Bioorg Med Chem Lett 9: 2549-54 (1999) BindingDB Entry DOI: 10.7270/Q2KW5F8Q
					More data for this Ligand-Target Pair