Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-lactamase' and Ligand = 'BDBM50081064'   

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)	BDBM50081064 ((R)-2-((R)-2-Benzoylamino-propionylsulfanyl)-3-bip...) Show SMILES C[C@@H](NC(=O)c1ccccc1)C(=O)S[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O Show InChI InChI=1S/C25H23NO4S/c1-17(26-23(27)21-10-6-3-7-11-21)25(30)31-22(24(28)29)16-18-12-14-20(15-13-18)19-8-4-2-5-9-19/h2-15,17,22H,16H2,1H3,(H,26,27)(H,28,29)/t17-,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+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