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SMILES: C[C@@H](NC(=O)c1ccccc1)C(=O)SCC(O)=O

InChI Key: InChIKey=OEJDVGZWJKPUDA-MRVPVSSYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50081035   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Beta-lactamase


(Escherichia coli)		BDBM50081035
PNG
(((R)-2-Benzoylamino-propionylsulfanyl)-acetic acid...)
Show SMILES C[C@@H](NC(=O)c1ccccc1)C(=O)SCC(O)=O
Show InChI InChI=1S/C12H13NO4S/c1-8(12(17)18-7-10(14)15)13-11(16)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,13,16)(H,14,15)/t8-/m1/s1
PDB
MMDB

KEGG

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CHEMBL
MCE
PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/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