BDBM50081026 (R)-2-((R)-2-Allyloxycarbonylamino-propionylsulfanyl)-3-dibenzofuran-2-yl-propionic acid::CHEMBL85219

SMILES: C[C@@H](NC(=O)OCC=C)C(=O)S[C@H](Cc1ccc2oc3ccccc3c2c1)C(O)=O

InChI Key: InChIKey=RMOVOKCGGHXTFG-BFUOFWGJSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50081026   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Beta-lactamase (Escherichia coli)	BDBM50081026 ((R)-2-((R)-2-Allyloxycarbonylamino-propionylsulfan...) Show SMILES C[C@@H](NC(=O)OCC=C)C(=O)S[C@H](Cc1ccc2oc3ccccc3c2c1)C(O)=O Show InChI InChI=1S/C22H21NO6S/c1-3-10-28-22(27)23-13(2)21(26)30-19(20(24)25)12-14-8-9-18-16(11-14)15-6-4-5-7-17(15)29-18/h3-9,11,13,19H,1,10,12H2,2H3,(H,23,27)(H,24,25)/t13-,19-/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