BDBM50174303 CHEMBL3809419

SMILES: OC(=O)[C@H](S)c1ccccc1

InChI Key: InChIKey=QYIGFZOHYGYBLX-SSDOTTSWSA-N

Data: 1 KI

PDB links: 1 PDB ID matches this monomer.

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 = 50174303   

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 2 (Bacillus cereus)	BDBM50174303 (CHEMBL3809419) Show SMILES OC(=O)[C@H](S)c1ccccc1 |r| Show InChI InChI=1S/C8H8O2S/c9-8(10)7(11)6-4-2-1-3-5-6/h1-5,7,11H,(H,9,10)/t7-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Competitive inhibition of Bacillus cereus 569/H/9 metallo-beta-lactamase Bc2 expressed in Escherichia coli GI724 cells using nitrocefin as substrate ...				ACS Med Chem Lett 7: 413-7 (2016) BindingDB Entry DOI: 10.7270/Q2GQ70PT
					More data for this Ligand-Target Pair				3D Structure (crystal)