BDBM50217402 CHEMBL157932

SMILES: [Na+].[H][C@]1([C@@H](C)O)C(=O)N2C(C([O-])=O)=C(CN3Cc4c(ccc5ccccc45)S3(=O)=O)[C@H](C)[C@]12[H]

InChI Key: InChIKey=HERFUCFIDOVLCR-PLTQMLKJSA-M

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 = 50217402   

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
MecA PBP2' (penicillin binding protein 2') (Staphylococcus aureus)	BDBM50217402 (CHEMBL157932) Show SMILES [Na+].[H][C@]1([C@@H](C)O)C(=O)N2C(C([O-])=O)=C(CN3Cc4c(ccc5ccccc45)S3(=O)=O)[C@H](C)[C@]12[H] |t:11| Show InChI InChI=1S/C22H22N2O6S/c1-11-15(20(22(27)28)24-19(11)18(12(2)25)21(24)26)9-23-10-16-14-6-4-3-5-13(14)7-8-17(16)31(23,29)30/h3-8,11-12,18-19,25H,9-10H2,1-2H3,(H,27,28)/p-1/t11-,12+,18+,19+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was tested for its binding affinity towards Penicillin-binding protein 2a (PBP2a) using [13H]-benzylpenicillin				Bioorg Med Chem Lett 9: 673-8 (1999) BindingDB Entry DOI: 10.7270/Q2TF00JQ
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